smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175875758 705562948 /nfs/dbraw/zinc/56/29/48/705562948.db2.gz NPZFTVOMCXLCLI-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617689969 714681905 /nfs/dbraw/zinc/68/19/05/714681905.db2.gz DJLNCOQJHMRIGS-AWEZNQCLSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1cccc([C@H]2CC[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)c1 ZINC000784026034 724814115 /nfs/dbraw/zinc/81/41/15/724814115.db2.gz MLXOVHLXCCUMNG-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cccc([C@H]2CC[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)c1 ZINC000784026034 724814117 /nfs/dbraw/zinc/81/41/17/724814117.db2.gz MLXOVHLXCCUMNG-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662156 723539138 /nfs/dbraw/zinc/53/91/38/723539138.db2.gz HTPJVNFKTQEAHG-ZWNOBZJWSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662156 723539140 /nfs/dbraw/zinc/53/91/40/723539140.db2.gz HTPJVNFKTQEAHG-ZWNOBZJWSA-N 1 2 355.320 3.084 20 5 FGBDLO O=C(c1cccc2[nH+]ccn21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000765841613 723543898 /nfs/dbraw/zinc/54/38/98/723543898.db2.gz RIFYHIUAYMPLGT-KRWDZBQOSA-N 1 2 354.391 3.130 20 5 FGBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555927 723661719 /nfs/dbraw/zinc/66/17/19/723661719.db2.gz UUVPOGKBOZTGME-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555927 723661720 /nfs/dbraw/zinc/66/17/20/723661720.db2.gz UUVPOGKBOZTGME-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000787405651 725027397 /nfs/dbraw/zinc/02/73/97/725027397.db2.gz FQSODWJTYANSBT-BAAYTWLHSA-N 1 2 360.483 3.107 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805761160 725092239 /nfs/dbraw/zinc/09/22/39/725092239.db2.gz QEEYYPWCYYZHMX-OAHLLOKOSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805761160 725092241 /nfs/dbraw/zinc/09/22/41/725092241.db2.gz QEEYYPWCYYZHMX-OAHLLOKOSA-N 1 2 353.394 3.177 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000826731426 729413371 /nfs/dbraw/zinc/41/33/71/729413371.db2.gz VGVMRPHMHGHHGV-KRWDZBQOSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000826731426 729413373 /nfs/dbraw/zinc/41/33/73/729413373.db2.gz VGVMRPHMHGHHGV-KRWDZBQOSA-N 1 2 357.435 3.233 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832343672 729706302 /nfs/dbraw/zinc/70/63/02/729706302.db2.gz IVDDUHOJMUSWLR-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832343672 729706304 /nfs/dbraw/zinc/70/63/04/729706304.db2.gz IVDDUHOJMUSWLR-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)n1cc[nH+]c1 ZINC000844402218 730713406 /nfs/dbraw/zinc/71/34/06/730713406.db2.gz QEQVUOSVYXKPPK-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844411079 730714728 /nfs/dbraw/zinc/71/47/28/730714728.db2.gz DYCKEBQFTUHEOF-UHFFFAOYSA-N 1 2 370.240 3.405 20 5 FGBDLO C[C@]1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000844803590 730769514 /nfs/dbraw/zinc/76/95/14/730769514.db2.gz RVWAQGKVPPGUKA-HOTGVXAUSA-N 1 2 366.780 3.215 20 5 FGBDLO C[C@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000844823036 730774693 /nfs/dbraw/zinc/77/46/93/730774693.db2.gz XKTPJFXEJDBRBR-JKSUJKDBSA-N 1 2 366.780 3.215 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)s1 ZINC000851035692 731416085 /nfs/dbraw/zinc/41/60/85/731416085.db2.gz VTTAXKKGINNAHZ-ZDUSSCGKSA-N 1 2 350.371 3.227 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)s1 ZINC000851035692 731416088 /nfs/dbraw/zinc/41/60/88/731416088.db2.gz VTTAXKKGINNAHZ-ZDUSSCGKSA-N 1 2 350.371 3.227 20 5 FGBDLO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)n1 ZINC000857024275 732092016 /nfs/dbraw/zinc/09/20/16/732092016.db2.gz NBSWBVOMUVRALA-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000857384012 732127777 /nfs/dbraw/zinc/12/77/77/732127777.db2.gz UGBGYSGDPILLAI-NSHDSACASA-N 1 2 369.208 3.094 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(CO1)CCOCC2 ZINC000878208603 736789385 /nfs/dbraw/zinc/78/93/85/736789385.db2.gz XFUKSHLXXOXPET-OAHLLOKOSA-N 1 2 354.834 3.266 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(CO1)CCOCC2 ZINC000878208603 736789387 /nfs/dbraw/zinc/78/93/87/736789387.db2.gz XFUKSHLXXOXPET-OAHLLOKOSA-N 1 2 354.834 3.266 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000894135630 742243992 /nfs/dbraw/zinc/24/39/92/742243992.db2.gz XYDDFELUQPKASN-UHFFFAOYSA-N 1 2 374.871 3.393 20 5 FGBDLO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000886310813 739243581 /nfs/dbraw/zinc/24/35/81/739243581.db2.gz VSLFAISLSICNFC-AWEZNQCLSA-N 1 2 366.215 3.230 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000896659523 742578758 /nfs/dbraw/zinc/57/87/58/742578758.db2.gz KKYRTGHDIRDJSI-UHFFFAOYSA-N 1 2 351.204 3.136 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896933915 742617901 /nfs/dbraw/zinc/61/79/01/742617901.db2.gz DMYKBWRTFLKSRW-HYXAFXHYSA-N 1 2 352.316 3.339 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896933915 742617903 /nfs/dbraw/zinc/61/79/03/742617903.db2.gz DMYKBWRTFLKSRW-HYXAFXHYSA-N 1 2 352.316 3.339 20 5 FGBDLO O=C1OCCCN1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000933618350 761440745 /nfs/dbraw/zinc/44/07/45/761440745.db2.gz HFBWOYXUGZMNTD-UHFFFAOYSA-N 1 2 353.806 3.055 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021857785 257334026 /nfs/dbraw/zinc/33/40/26/257334026.db2.gz OQKBOPSSPQKEBN-MRXNPFEDSA-N 1 2 362.817 3.362 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021857785 257334027 /nfs/dbraw/zinc/33/40/27/257334027.db2.gz OQKBOPSSPQKEBN-MRXNPFEDSA-N 1 2 362.817 3.362 20 5 FGBDLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000028087678 493775786 /nfs/dbraw/zinc/77/57/86/493775786.db2.gz UAFYRYHIFUXNRA-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO Cc1sc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000029792395 493858255 /nfs/dbraw/zinc/85/82/55/493858255.db2.gz OGFYGZSVKSGVOO-UHFFFAOYSA-N 1 2 370.434 3.182 20 5 FGBDLO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000060269568 493920467 /nfs/dbraw/zinc/92/04/67/493920467.db2.gz BYGPAERKUDBGOD-UHFFFAOYSA-N 1 2 360.385 3.342 20 5 FGBDLO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000060269568 493920469 /nfs/dbraw/zinc/92/04/69/493920469.db2.gz BYGPAERKUDBGOD-UHFFFAOYSA-N 1 2 360.385 3.342 20 5 FGBDLO O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069319263 493954961 /nfs/dbraw/zinc/95/49/61/493954961.db2.gz FEAKKTSZKQTFDI-QGZVFWFLSA-N 1 2 362.389 3.068 20 5 FGBDLO O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031815389 493962424 /nfs/dbraw/zinc/96/24/24/493962424.db2.gz ZXEVIFOJDHILKR-UHFFFAOYSA-N 1 2 370.796 3.406 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000052779867 494061405 /nfs/dbraw/zinc/06/14/05/494061405.db2.gz YMXBPHNPHQPUKE-INIZCTEOSA-N 1 2 353.422 3.043 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1)Nc1ccccc1 ZINC000064029380 494102895 /nfs/dbraw/zinc/10/28/95/494102895.db2.gz GPLHUQFNJMCRGE-UHFFFAOYSA-N 1 2 360.439 3.171 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716828 494238219 /nfs/dbraw/zinc/23/82/19/494238219.db2.gz BDRVPZROJFMADH-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716828 494238224 /nfs/dbraw/zinc/23/82/24/494238224.db2.gz BDRVPZROJFMADH-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000065843564 494245245 /nfs/dbraw/zinc/24/52/45/494245245.db2.gz OCNXDLWRZWDTNW-UHFFFAOYSA-N 1 2 361.361 3.374 20 5 FGBDLO CC(C)N(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088607678 494253016 /nfs/dbraw/zinc/25/30/16/494253016.db2.gz XWFGQNYSLPHNOZ-UHFFFAOYSA-N 1 2 353.422 3.395 20 5 FGBDLO CC(C)N(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088607678 494253020 /nfs/dbraw/zinc/25/30/20/494253020.db2.gz XWFGQNYSLPHNOZ-UHFFFAOYSA-N 1 2 353.422 3.395 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000574180674 505713584 /nfs/dbraw/zinc/71/35/84/505713584.db2.gz HAZYEPDDMWVCHF-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000574180674 505713585 /nfs/dbraw/zinc/71/35/85/505713585.db2.gz HAZYEPDDMWVCHF-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000044380301 494354357 /nfs/dbraw/zinc/35/43/57/494354357.db2.gz SULIQAWXXJRFNI-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000079255789 494425895 /nfs/dbraw/zinc/42/58/95/494425895.db2.gz FSVAMKQSNJRLTE-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853019 494426836 /nfs/dbraw/zinc/42/68/36/494426836.db2.gz RIWWFVGEMCRFOK-LIRRHRJNSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853019 494426840 /nfs/dbraw/zinc/42/68/40/494426840.db2.gz RIWWFVGEMCRFOK-LIRRHRJNSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867963 494428804 /nfs/dbraw/zinc/42/88/04/494428804.db2.gz UKZDWKSTICAZLV-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000018237071 494430502 /nfs/dbraw/zinc/43/05/02/494430502.db2.gz QMCHJDOHOMZIQQ-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000045910023 494475720 /nfs/dbraw/zinc/47/57/20/494475720.db2.gz HDVDAMWTCJMCGL-HNNXBMFYSA-N 1 2 351.403 3.281 20 5 FGBDLO Cc1c(C(=O)NCCNc2ccc3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000125978004 494594235 /nfs/dbraw/zinc/59/42/35/494594235.db2.gz GLBZTMMPWIPYHP-UHFFFAOYSA-N 1 2 350.378 3.293 20 5 FGBDLO CCc1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000074826525 494612169 /nfs/dbraw/zinc/61/21/69/494612169.db2.gz NAFHFLXHOVKUKK-UHFFFAOYSA-N 1 2 352.350 3.301 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000057137248 494652030 /nfs/dbraw/zinc/65/20/30/494652030.db2.gz WCPAFCSGZXPICX-UHFFFAOYSA-N 1 2 372.400 3.249 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000580342189 505736540 /nfs/dbraw/zinc/73/65/40/505736540.db2.gz SGFLVPBPSCKRRI-UHFFFAOYSA-N 1 2 366.421 3.344 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131703838 494704206 /nfs/dbraw/zinc/70/42/06/494704206.db2.gz HOADPTLVHUXIEL-OAHLLOKOSA-N 1 2 356.382 3.292 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000126368586 494726586 /nfs/dbraw/zinc/72/65/86/494726586.db2.gz DCBSWNMJFSFTHI-UHFFFAOYSA-N 1 2 361.423 3.049 20 5 FGBDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000092761892 494740012 /nfs/dbraw/zinc/74/00/12/494740012.db2.gz RAGGOYUWGJLYLC-UHFFFAOYSA-N 1 2 356.426 3.492 20 5 FGBDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000092761892 494740019 /nfs/dbraw/zinc/74/00/19/494740019.db2.gz RAGGOYUWGJLYLC-UHFFFAOYSA-N 1 2 356.426 3.492 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116273663 494750966 /nfs/dbraw/zinc/75/09/66/494750966.db2.gz KNTPJPQHOXMDAS-INIZCTEOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116273663 494750971 /nfs/dbraw/zinc/75/09/71/494750971.db2.gz KNTPJPQHOXMDAS-INIZCTEOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025941882 494791049 /nfs/dbraw/zinc/79/10/49/494791049.db2.gz OFMWMMLTJCZAHO-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000075650179 494810724 /nfs/dbraw/zinc/81/07/24/494810724.db2.gz CCLUWCZYKXPFDZ-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000027383163 494865650 /nfs/dbraw/zinc/86/56/50/494865650.db2.gz OSUYJVNNFMRJRY-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093384616 494883415 /nfs/dbraw/zinc/88/34/15/494883415.db2.gz HDMJDVPJSKMGQH-LBPRGKRZSA-N 1 2 368.480 3.188 20 5 FGBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093384616 494883417 /nfs/dbraw/zinc/88/34/17/494883417.db2.gz HDMJDVPJSKMGQH-LBPRGKRZSA-N 1 2 368.480 3.188 20 5 FGBDLO CC(C)c1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392510 494884725 /nfs/dbraw/zinc/88/47/25/494884725.db2.gz CJKIOCWQCVUEFV-CYBMUJFWSA-N 1 2 354.472 3.116 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392510 494884728 /nfs/dbraw/zinc/88/47/28/494884728.db2.gz CJKIOCWQCVUEFV-CYBMUJFWSA-N 1 2 354.472 3.116 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)cs2)c1 ZINC000093611520 494904096 /nfs/dbraw/zinc/90/40/96/494904096.db2.gz OVHOZMLMPZMFAG-AWEZNQCLSA-N 1 2 373.356 3.217 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)cs2)c1 ZINC000093611520 494904101 /nfs/dbraw/zinc/90/41/01/494904101.db2.gz OVHOZMLMPZMFAG-AWEZNQCLSA-N 1 2 373.356 3.217 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122133912 494929046 /nfs/dbraw/zinc/92/90/46/494929046.db2.gz IALDIFCEDHRINH-UHFFFAOYSA-N 1 2 371.441 3.322 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127480039 494950421 /nfs/dbraw/zinc/95/04/21/494950421.db2.gz GKHTYJAJWAHPKU-CYBMUJFWSA-N 1 2 362.773 3.328 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH+]c12 ZINC000094125141 494952694 /nfs/dbraw/zinc/95/26/94/494952694.db2.gz XQCCGUMUNQESGY-UHFFFAOYSA-N 1 2 352.394 3.406 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000127567939 494963183 /nfs/dbraw/zinc/96/31/83/494963183.db2.gz LDHRJCMTSZRZBL-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110598731 494993306 /nfs/dbraw/zinc/99/33/06/494993306.db2.gz MJUMSRJBRMUTAD-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO CCC[C@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC ZINC000111247555 495055414 /nfs/dbraw/zinc/05/54/14/495055414.db2.gz CPFZJVGLFOLPLV-SFHVURJKSA-N 1 2 361.398 3.114 20 5 FGBDLO CCn1cnnc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101592779 495082546 /nfs/dbraw/zinc/08/25/46/495082546.db2.gz ABPJIHKJJBKYJE-UHFFFAOYSA-N 1 2 371.372 3.427 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123320375 495114269 /nfs/dbraw/zinc/11/42/69/495114269.db2.gz WOAJPXTZKBDJDD-UHFFFAOYSA-N 1 2 368.315 3.241 20 5 FGBDLO O=C1CCCCN1C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119353907 495148728 /nfs/dbraw/zinc/14/87/28/495148728.db2.gz UCHQWNVMRCVPMQ-UHFFFAOYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000134505361 495160212 /nfs/dbraw/zinc/16/02/12/495160212.db2.gz YQNVKFCWQVPRGC-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134668336 495184759 /nfs/dbraw/zinc/18/47/59/495184759.db2.gz XUGSYILPEMNUIF-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134668336 495184761 /nfs/dbraw/zinc/18/47/61/495184761.db2.gz XUGSYILPEMNUIF-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134962580 495232157 /nfs/dbraw/zinc/23/21/57/495232157.db2.gz AFRFQDJSIWEIAF-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO COC(=O)c1cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc([N+](=O)[O-])c1 ZINC000103966373 495262474 /nfs/dbraw/zinc/26/24/74/495262474.db2.gz FYGLWRSNRRRJTP-UHFFFAOYSA-N 1 2 366.333 3.024 20 5 FGBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129610532 495270364 /nfs/dbraw/zinc/27/03/64/495270364.db2.gz SCPWTYKPXIHYDJ-ZDUSSCGKSA-N 1 2 361.398 3.064 20 5 FGBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129610532 495270366 /nfs/dbraw/zinc/27/03/66/495270366.db2.gz SCPWTYKPXIHYDJ-ZDUSSCGKSA-N 1 2 361.398 3.064 20 5 FGBDLO COc1ncccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113320292 495296936 /nfs/dbraw/zinc/29/69/36/495296936.db2.gz JTVMRHBDXBOBIC-UHFFFAOYSA-N 1 2 356.407 3.412 20 5 FGBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000135982712 495347550 /nfs/dbraw/zinc/34/75/50/495347550.db2.gz GFDJKYMIRGKYRF-UHFFFAOYSA-N 1 2 362.389 3.439 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137096350 495422599 /nfs/dbraw/zinc/42/25/99/495422599.db2.gz POJQIHXZSAKXPB-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000125467308 495449278 /nfs/dbraw/zinc/44/92/78/495449278.db2.gz JBVBTQXBVUJQGE-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000125467308 495449283 /nfs/dbraw/zinc/44/92/83/495449283.db2.gz JBVBTQXBVUJQGE-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO CC(C)CN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120841578 495469489 /nfs/dbraw/zinc/46/94/89/495469489.db2.gz RTPFXJXSJGWVLG-UHFFFAOYSA-N 1 2 370.331 3.441 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125609164 495470292 /nfs/dbraw/zinc/47/02/92/495470292.db2.gz CHVMDOXXALOJTJ-MRXNPFEDSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125609164 495470297 /nfs/dbraw/zinc/47/02/97/495470297.db2.gz CHVMDOXXALOJTJ-MRXNPFEDSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000140247442 495491921 /nfs/dbraw/zinc/49/19/21/495491921.db2.gz CYFMJMIRYFQXDY-SFHVURJKSA-N 1 2 354.410 3.098 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000140247442 495491926 /nfs/dbraw/zinc/49/19/26/495491926.db2.gz CYFMJMIRYFQXDY-SFHVURJKSA-N 1 2 354.410 3.098 20 5 FGBDLO CC(C)n1ncc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC000131272369 495515490 /nfs/dbraw/zinc/51/54/90/495515490.db2.gz BQVUGCUPWJXSJN-UHFFFAOYSA-N 1 2 351.410 3.479 20 5 FGBDLO CC(C)n1ncc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC000131272369 495515493 /nfs/dbraw/zinc/51/54/93/495515493.db2.gz BQVUGCUPWJXSJN-UHFFFAOYSA-N 1 2 351.410 3.479 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000173450389 495535481 /nfs/dbraw/zinc/53/54/81/495535481.db2.gz FWVSRINBAADCNN-UHFFFAOYSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000182604133 495632934 /nfs/dbraw/zinc/63/29/34/495632934.db2.gz MYLHHZNGIOSOOY-INIZCTEOSA-N 1 2 353.422 3.422 20 5 FGBDLO NC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000179611841 495660599 /nfs/dbraw/zinc/66/05/99/495660599.db2.gz YZERFUPTJZFONM-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO NC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000179611841 495660604 /nfs/dbraw/zinc/66/06/04/495660604.db2.gz YZERFUPTJZFONM-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO COc1cc(N(C)Cc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000159723508 495795441 /nfs/dbraw/zinc/79/54/41/495795441.db2.gz LAIYEJNABMVJCT-UHFFFAOYSA-N 1 2 352.394 3.485 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179961020 495801939 /nfs/dbraw/zinc/80/19/39/495801939.db2.gz SAWOLVSTRQXYJK-UHFFFAOYSA-N 1 2 364.365 3.022 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177012565 495882902 /nfs/dbraw/zinc/88/29/02/495882902.db2.gz ZEHVGHHKRUBJAS-HIFRSBDPSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177012565 495882906 /nfs/dbraw/zinc/88/29/06/495882906.db2.gz ZEHVGHHKRUBJAS-HIFRSBDPSA-N 1 2 360.863 3.036 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1ccccc1[N+](=O)[O-] ZINC000177184301 495965047 /nfs/dbraw/zinc/96/50/47/495965047.db2.gz IZXVPIRKIBDLTR-UHFFFAOYSA-N 1 2 354.410 3.296 20 5 FGBDLO O=[N+]([O-])c1cncc(Br)c1NCCCNc1cccc[nH+]1 ZINC000180410655 495986195 /nfs/dbraw/zinc/98/61/95/495986195.db2.gz IVSACGIRGAKSPC-UHFFFAOYSA-N 1 2 352.192 3.061 20 5 FGBDLO Cc1c([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000186431692 495996185 /nfs/dbraw/zinc/99/61/85/495996185.db2.gz OKLAQQRYTKZGSA-CQSZACIVSA-N 1 2 367.409 3.451 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177594444 496126021 /nfs/dbraw/zinc/12/60/21/496126021.db2.gz DEKGHQLSUPNADE-GDBMZVCRSA-N 1 2 357.414 3.035 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000156066421 496148678 /nfs/dbraw/zinc/14/86/78/496148678.db2.gz WSHHVBIMCIQJAS-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000174905806 496158266 /nfs/dbraw/zinc/15/82/66/496158266.db2.gz ZDEYDTMDXBRHAN-UHFFFAOYSA-N 1 2 374.466 3.430 20 5 FGBDLO Cc1cc(S(=O)(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1[N+](=O)[O-] ZINC000172192880 496201737 /nfs/dbraw/zinc/20/17/37/496201737.db2.gz UNYPUNDIFUHGQP-UHFFFAOYSA-N 1 2 372.406 3.105 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000177962056 496267462 /nfs/dbraw/zinc/26/74/62/496267462.db2.gz SSATWGIXZPZVPV-UHFFFAOYSA-N 1 2 367.409 3.065 20 5 FGBDLO Cn1c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]c1C(C)(C)C ZINC000187212686 496341963 /nfs/dbraw/zinc/34/19/63/496341963.db2.gz PYWGZSKSBKISDY-UHFFFAOYSA-N 1 2 369.381 3.132 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153243842 496394308 /nfs/dbraw/zinc/39/43/08/496394308.db2.gz XSYVSDJIPMGLSF-AWEZNQCLSA-N 1 2 371.412 3.139 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153243842 496394312 /nfs/dbraw/zinc/39/43/12/496394312.db2.gz XSYVSDJIPMGLSF-AWEZNQCLSA-N 1 2 371.412 3.139 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000153562826 496499406 /nfs/dbraw/zinc/49/94/06/496499406.db2.gz OZEXEKHLXMHUAR-MRXNPFEDSA-N 1 2 362.817 3.129 20 5 FGBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000185029684 496629440 /nfs/dbraw/zinc/62/94/40/496629440.db2.gz QSRCBEJJLIRGLH-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)c1C ZINC000165282871 496654666 /nfs/dbraw/zinc/65/46/66/496654666.db2.gz VRIQTXZGRCPYPU-UHFFFAOYSA-N 1 2 355.803 3.369 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000154069446 496673850 /nfs/dbraw/zinc/67/38/50/496673850.db2.gz XOPBDKIHSYZUJT-INIZCTEOSA-N 1 2 355.394 3.310 20 5 FGBDLO CCN(CC)C(=O)CCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303297 496882251 /nfs/dbraw/zinc/88/22/51/496882251.db2.gz DVHSEWPANBHHLR-UHFFFAOYSA-N 1 2 371.441 3.421 20 5 FGBDLO Cc1[nH+]c2ccccc2c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1C(C)C ZINC000191958367 496943834 /nfs/dbraw/zinc/94/38/34/496943834.db2.gz DWXWXKLMDNEFDA-UHFFFAOYSA-N 1 2 353.382 3.410 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265122345 497052719 /nfs/dbraw/zinc/05/27/19/497052719.db2.gz DMHYHWAMAAZHOW-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000265169822 497063192 /nfs/dbraw/zinc/06/31/92/497063192.db2.gz YLSHTKALNKPBCR-AWEZNQCLSA-N 1 2 354.410 3.076 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278940241 497275186 /nfs/dbraw/zinc/27/51/86/497275186.db2.gz KVRXGBFWCNPWNL-UHFFFAOYSA-N 1 2 354.410 3.147 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000255628127 497371671 /nfs/dbraw/zinc/37/16/71/497371671.db2.gz HNPJBKRVJBUHIO-YVMONPNESA-N 1 2 365.433 3.374 20 5 FGBDLO CCOC(=O)[C@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000190823959 497614386 /nfs/dbraw/zinc/61/43/86/497614386.db2.gz MOEJDCZRNFWLGT-ZDUSSCGKSA-N 1 2 373.409 3.208 20 5 FGBDLO CCOC(=O)[C@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000190823959 497614389 /nfs/dbraw/zinc/61/43/89/497614389.db2.gz MOEJDCZRNFWLGT-ZDUSSCGKSA-N 1 2 373.409 3.208 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000276761653 497646547 /nfs/dbraw/zinc/64/65/47/497646547.db2.gz XCWGKQXCYUYZMR-UHFFFAOYSA-N 1 2 374.828 3.482 20 5 FGBDLO Cc1ccc([C@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272528920 497652733 /nfs/dbraw/zinc/65/27/33/497652733.db2.gz MNYFGWBRWRHNTK-RTBURBONSA-N 1 2 366.421 3.049 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194423764 497661625 /nfs/dbraw/zinc/66/16/25/497661625.db2.gz NWZVFULVSJONCO-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272686051 497701727 /nfs/dbraw/zinc/70/17/27/497701727.db2.gz SSLVIPZWYQHIMM-CYBMUJFWSA-N 1 2 372.406 3.280 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272686051 497701730 /nfs/dbraw/zinc/70/17/30/497701730.db2.gz SSLVIPZWYQHIMM-CYBMUJFWSA-N 1 2 372.406 3.280 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCCO)CC1 ZINC000272957281 497771795 /nfs/dbraw/zinc/77/17/95/497771795.db2.gz NGIUMDQDOQQDNB-GFCCVEGCSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000578400881 505930390 /nfs/dbraw/zinc/93/03/90/505930390.db2.gz PMYIFOMVITZXHT-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000578400881 505930394 /nfs/dbraw/zinc/93/03/94/505930394.db2.gz PMYIFOMVITZXHT-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000575157678 505932835 /nfs/dbraw/zinc/93/28/35/505932835.db2.gz BHVWISJJTLISJE-MRXNPFEDSA-N 1 2 357.801 3.288 20 5 FGBDLO Cc1cc(N2CCC(n3cccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301098572 497949897 /nfs/dbraw/zinc/94/98/97/497949897.db2.gz JUMSTGOFJKLUOS-UHFFFAOYSA-N 1 2 364.409 3.398 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000578591994 505975252 /nfs/dbraw/zinc/97/52/52/505975252.db2.gz OBJCHRMNRDJXQS-LBPRGKRZSA-N 1 2 359.430 3.074 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000578591994 505975257 /nfs/dbraw/zinc/97/52/57/505975257.db2.gz OBJCHRMNRDJXQS-LBPRGKRZSA-N 1 2 359.430 3.074 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296644859 498135682 /nfs/dbraw/zinc/13/56/82/498135682.db2.gz DQRIXPAVHYWVRA-AWEZNQCLSA-N 1 2 361.377 3.391 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438282 498147558 /nfs/dbraw/zinc/14/75/58/498147558.db2.gz DNGNHSAUVFIVQI-QGTPRVQTSA-N 1 2 373.453 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438282 498147562 /nfs/dbraw/zinc/14/75/62/498147562.db2.gz DNGNHSAUVFIVQI-QGTPRVQTSA-N 1 2 373.453 3.264 20 5 FGBDLO C[C@@H]1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCO1 ZINC000351092042 498177727 /nfs/dbraw/zinc/17/77/27/498177727.db2.gz DNGBBXRCTGLKMM-VXGBXAGGSA-N 1 2 355.354 3.113 20 5 FGBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)S1 ZINC000301599411 498180613 /nfs/dbraw/zinc/18/06/13/498180613.db2.gz UKCTZFADXCDICG-SNVBAGLBSA-N 1 2 374.388 3.227 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544047 498187764 /nfs/dbraw/zinc/18/77/64/498187764.db2.gz XBKZLYHBRURGTG-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544047 498187766 /nfs/dbraw/zinc/18/77/66/498187766.db2.gz XBKZLYHBRURGTG-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(NC(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000364909007 498203890 /nfs/dbraw/zinc/20/38/90/498203890.db2.gz DGVNPFHCZAZUSO-UHFFFAOYSA-N 1 2 369.425 3.431 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000293191515 498300523 /nfs/dbraw/zinc/30/05/23/498300523.db2.gz XEWWETPXQYAQKF-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289903086 498344665 /nfs/dbraw/zinc/34/46/65/498344665.db2.gz NFANWOZKIWRFFI-UHFFFAOYSA-N 1 2 360.241 3.344 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000282030024 498364182 /nfs/dbraw/zinc/36/41/82/498364182.db2.gz RIBNCQVGUBWZBX-QGZVFWFLSA-N 1 2 371.441 3.291 20 5 FGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286354449 498373904 /nfs/dbraw/zinc/37/39/04/498373904.db2.gz JFLAFZWDDNLPJK-UHFFFAOYSA-N 1 2 371.384 3.362 20 5 FGBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293810636 498497041 /nfs/dbraw/zinc/49/70/41/498497041.db2.gz FDHWGAFQRPWYPT-KRWDZBQOSA-N 1 2 362.357 3.188 20 5 FGBDLO COc1ccc([C@@H](CNc2cccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000302519675 498499709 /nfs/dbraw/zinc/49/97/09/498499709.db2.gz WZAYMVLFAZEBMU-LJQANCHMSA-N 1 2 371.437 3.397 20 5 FGBDLO O=C(c1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000290792081 498681596 /nfs/dbraw/zinc/68/15/96/498681596.db2.gz OKGCATVXZDAKBK-UHFFFAOYSA-N 1 2 365.393 3.091 20 5 FGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000287299868 498706919 /nfs/dbraw/zinc/70/69/19/498706919.db2.gz MSDLTPGPEOTLTR-AWEZNQCLSA-N 1 2 354.410 3.076 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000366354581 498889677 /nfs/dbraw/zinc/88/96/77/498889677.db2.gz ITBLFCMBWXNECH-UHFFFAOYSA-N 1 2 362.349 3.422 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364047140 499098513 /nfs/dbraw/zinc/09/85/13/499098513.db2.gz HNXOIQTYIRHLOU-JKSUJKDBSA-N 1 2 356.426 3.293 20 5 FGBDLO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000364114757 499118191 /nfs/dbraw/zinc/11/81/91/499118191.db2.gz GMGCMONJSATZSU-OAHLLOKOSA-N 1 2 365.393 3.348 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000364137299 499122623 /nfs/dbraw/zinc/12/26/23/499122623.db2.gz HFLPZVPMLDBSSR-UHFFFAOYSA-N 1 2 356.426 3.025 20 5 FGBDLO CC(=O)c1cc(NC2CC[NH+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000367259843 499169666 /nfs/dbraw/zinc/16/96/66/499169666.db2.gz KTJWZTHHLXEXLO-UHFFFAOYSA-N 1 2 360.439 3.330 20 5 FGBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000368492047 499301513 /nfs/dbraw/zinc/30/15/13/499301513.db2.gz ZBXARZDFQQRDAC-DGCLKSJQSA-N 1 2 358.373 3.148 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH+]1 ZINC000371246892 499301986 /nfs/dbraw/zinc/30/19/86/499301986.db2.gz IGETZSBNRZSGIQ-UHFFFAOYSA-N 1 2 367.321 3.454 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000368549323 499306669 /nfs/dbraw/zinc/30/66/69/499306669.db2.gz ZFKOQJAWICFQPZ-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000368549323 499306671 /nfs/dbraw/zinc/30/66/71/499306671.db2.gz ZFKOQJAWICFQPZ-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)c1 ZINC000369018674 499357873 /nfs/dbraw/zinc/35/78/73/499357873.db2.gz MEDWXOKIGDNJMA-MRXNPFEDSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)c1 ZINC000369018674 499357874 /nfs/dbraw/zinc/35/78/74/499357874.db2.gz MEDWXOKIGDNJMA-MRXNPFEDSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC=C(c4cccnc4)CC3)n2)cc1 ZINC000369377646 499397382 /nfs/dbraw/zinc/39/73/82/499397382.db2.gz BTKFRVHHEGSLSF-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC=C(c4cccnc4)CC3)n2)cc1 ZINC000369377646 499397384 /nfs/dbraw/zinc/39/73/84/499397384.db2.gz BTKFRVHHEGSLSF-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)c1 ZINC000372281914 499416286 /nfs/dbraw/zinc/41/62/86/499416286.db2.gz KRNITPWBKBFCKE-AWEZNQCLSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)c1 ZINC000372281914 499416287 /nfs/dbraw/zinc/41/62/87/499416287.db2.gz KRNITPWBKBFCKE-AWEZNQCLSA-N 1 2 359.411 3.345 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000373550231 499476536 /nfs/dbraw/zinc/47/65/36/499476536.db2.gz GKRHEASECGZYAB-SNVBAGLBSA-N 1 2 359.386 3.498 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])CCC2 ZINC000378238602 499493349 /nfs/dbraw/zinc/49/33/49/499493349.db2.gz YZJCTAHAWMYDIR-OAHLLOKOSA-N 1 2 371.441 3.227 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@@H]3c3ccco3)o2)c1 ZINC000375797132 499556733 /nfs/dbraw/zinc/55/67/33/499556733.db2.gz UCNDLLAYRDTWJB-MRXNPFEDSA-N 1 2 369.377 3.459 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@@H]3c3ccco3)o2)c1 ZINC000375797132 499556735 /nfs/dbraw/zinc/55/67/35/499556735.db2.gz UCNDLLAYRDTWJB-MRXNPFEDSA-N 1 2 369.377 3.459 20 5 FGBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397943486 499565162 /nfs/dbraw/zinc/56/51/62/499565162.db2.gz IRNQQWTWCBPBOR-HXUWFJFHSA-N 1 2 369.421 3.085 20 5 FGBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397943486 499565164 /nfs/dbraw/zinc/56/51/64/499565164.db2.gz IRNQQWTWCBPBOR-HXUWFJFHSA-N 1 2 369.421 3.085 20 5 FGBDLO O=C(Nc1cc[nH+]cc1O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409451256 499597844 /nfs/dbraw/zinc/59/78/44/499597844.db2.gz FADXBTIOEGOSEZ-UHFFFAOYSA-N 1 2 350.334 3.113 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376551179 499617618 /nfs/dbraw/zinc/61/76/18/499617618.db2.gz HXWNEPORTCONEI-SCLBCKFNSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376551179 499617619 /nfs/dbraw/zinc/61/76/19/499617619.db2.gz HXWNEPORTCONEI-SCLBCKFNSA-N 1 2 354.410 3.320 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000376985136 499651615 /nfs/dbraw/zinc/65/16/15/499651615.db2.gz JSRSXNRBLPEHMD-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000377303471 499678251 /nfs/dbraw/zinc/67/82/51/499678251.db2.gz JJIUYSIPTAPNIH-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000411752310 499786460 /nfs/dbraw/zinc/78/64/60/499786460.db2.gz UIDWZNNJNAUUGX-DLBZAZTESA-N 1 2 369.421 3.377 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411766927 499788228 /nfs/dbraw/zinc/78/82/28/499788228.db2.gz DKUCGIBLLXLZKV-HKUYNNGSSA-N 1 2 369.396 3.048 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000412373782 499849940 /nfs/dbraw/zinc/84/99/40/499849940.db2.gz NKAUEHNPNIRGHD-ARFHVFGLSA-N 1 2 354.410 3.042 20 5 FGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000413189134 499924714 /nfs/dbraw/zinc/92/47/14/499924714.db2.gz IMQFMBFZAZMWMV-GWCFXTLKSA-N 1 2 355.320 3.293 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429376866 500064383 /nfs/dbraw/zinc/06/43/83/500064383.db2.gz BLOKLVBXAMYSID-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429376866 500064386 /nfs/dbraw/zinc/06/43/86/500064386.db2.gz BLOKLVBXAMYSID-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1cc(C[NH+]2CC(CC(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000425363597 500085091 /nfs/dbraw/zinc/08/50/91/500085091.db2.gz CBYPHYQEBDPAPJ-UHFFFAOYSA-N 1 2 366.311 3.334 20 5 FGBDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425404071 500094822 /nfs/dbraw/zinc/09/48/22/500094822.db2.gz JBIOKEOFMMJTNH-UHFFFAOYSA-N 1 2 372.263 3.096 20 5 FGBDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425404071 500094823 /nfs/dbraw/zinc/09/48/23/500094823.db2.gz JBIOKEOFMMJTNH-UHFFFAOYSA-N 1 2 372.263 3.096 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421645148 500105611 /nfs/dbraw/zinc/10/56/11/500105611.db2.gz HPYIVIVTOXWQGL-MRXNPFEDSA-N 1 2 354.410 3.433 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425507391 500127651 /nfs/dbraw/zinc/12/76/51/500127651.db2.gz MLHVEOYAHGLGSE-ZDUSSCGKSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425507391 500127654 /nfs/dbraw/zinc/12/76/54/500127654.db2.gz MLHVEOYAHGLGSE-ZDUSSCGKSA-N 1 2 355.320 3.042 20 5 FGBDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429728764 500133698 /nfs/dbraw/zinc/13/36/98/500133698.db2.gz XSVOIZHBRZCYKT-CYBMUJFWSA-N 1 2 353.382 3.074 20 5 FGBDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429728764 500133702 /nfs/dbraw/zinc/13/37/02/500133702.db2.gz XSVOIZHBRZCYKT-CYBMUJFWSA-N 1 2 353.382 3.074 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000430208807 500209396 /nfs/dbraw/zinc/20/93/96/500209396.db2.gz PJXJMDXSOXTFRI-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000430208807 500209399 /nfs/dbraw/zinc/20/93/99/500209399.db2.gz PJXJMDXSOXTFRI-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430262872 500217706 /nfs/dbraw/zinc/21/77/06/500217706.db2.gz ZBGWIXMGPJPBBO-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430262872 500217709 /nfs/dbraw/zinc/21/77/09/500217709.db2.gz ZBGWIXMGPJPBBO-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO Cc1ccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])s1 ZINC000447806040 500666231 /nfs/dbraw/zinc/66/62/31/500666231.db2.gz LOZSJKPLPHFQCF-UHFFFAOYSA-N 1 2 361.467 3.433 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](c2ccccc2)C1 ZINC000447803970 500666245 /nfs/dbraw/zinc/66/62/45/500666245.db2.gz CQJCXUMLCVCUTK-LJQANCHMSA-N 1 2 367.449 3.421 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000447811427 500667807 /nfs/dbraw/zinc/66/78/07/500667807.db2.gz NRVPDZBJLBJGAJ-MOPGFXCFSA-N 1 2 367.449 3.470 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850210 500706143 /nfs/dbraw/zinc/70/61/43/500706143.db2.gz QENTZWFOJOCINF-HOCLYGCPSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850210 500706146 /nfs/dbraw/zinc/70/61/46/500706146.db2.gz QENTZWFOJOCINF-HOCLYGCPSA-N 1 2 369.421 3.247 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cccc4c3OCCCO4)nc2c1 ZINC000602577595 506222249 /nfs/dbraw/zinc/22/22/49/506222249.db2.gz URKQAKHLKVGZSC-UHFFFAOYSA-N 1 2 355.350 3.187 20 5 FGBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000444542973 500857713 /nfs/dbraw/zinc/85/77/13/500857713.db2.gz DOLNWXDFOGDSOX-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000444906965 500920686 /nfs/dbraw/zinc/92/06/86/500920686.db2.gz UCESGEAEOFRPGM-UHFFFAOYSA-N 1 2 374.397 3.288 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333495 500956863 /nfs/dbraw/zinc/95/68/63/500956863.db2.gz QGZNRXURQFECFO-UHFFFAOYSA-N 1 2 373.800 3.115 20 5 FGBDLO CCc1ccc(C(=O)NCCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000592746269 506227347 /nfs/dbraw/zinc/22/73/47/506227347.db2.gz SFJZQWDXRYHDON-UHFFFAOYSA-N 1 2 352.394 3.086 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)s1 ZINC000445471811 500991558 /nfs/dbraw/zinc/99/15/58/500991558.db2.gz OIAIVQJGZGHOHD-UHFFFAOYSA-N 1 2 372.406 3.206 20 5 FGBDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440495085 501015509 /nfs/dbraw/zinc/01/55/09/501015509.db2.gz OBLBAHUJILETMC-CQSZACIVSA-N 1 2 358.446 3.234 20 5 FGBDLO CCC(CC)n1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440495085 501015510 /nfs/dbraw/zinc/01/55/10/501015510.db2.gz OBLBAHUJILETMC-CQSZACIVSA-N 1 2 358.446 3.234 20 5 FGBDLO C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000611623480 506232859 /nfs/dbraw/zinc/23/28/59/506232859.db2.gz WCSYPKNRODSLLE-AUUYWEPGSA-N 1 2 354.410 3.433 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949944 506240736 /nfs/dbraw/zinc/24/07/36/506240736.db2.gz XQEAUGYGJYULAX-CYBMUJFWSA-N 1 2 374.466 3.428 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000450247753 501218514 /nfs/dbraw/zinc/21/85/14/501218514.db2.gz VDUFGKCCMCGZDF-CYBMUJFWSA-N 1 2 361.833 3.230 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402628 501283877 /nfs/dbraw/zinc/28/38/77/501283877.db2.gz BVIUOFHDDJXNNZ-NEPJUHHUSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402628 501283879 /nfs/dbraw/zinc/28/38/79/501283879.db2.gz BVIUOFHDDJXNNZ-NEPJUHHUSA-N 1 2 359.348 3.220 20 5 FGBDLO Cc1ccc[nH+]c1CCc1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000453213757 501292473 /nfs/dbraw/zinc/29/24/73/501292473.db2.gz AXONAINBYDYOGX-UHFFFAOYSA-N 1 2 353.382 3.103 20 5 FGBDLO CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451436882 501292876 /nfs/dbraw/zinc/29/28/76/501292876.db2.gz XLRWZKYCSPBDBI-IINYFYTJSA-N 1 2 370.331 3.487 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000453570520 501350279 /nfs/dbraw/zinc/35/02/79/501350279.db2.gz AKNAZZFOAABWNW-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000453573749 501351300 /nfs/dbraw/zinc/35/13/00/501351300.db2.gz HJSGCWHPADWJCC-UHFFFAOYSA-N 1 2 364.808 3.147 20 5 FGBDLO Cc1ccc2[nH]c(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2c1C ZINC000453578737 501352458 /nfs/dbraw/zinc/35/24/58/501352458.db2.gz QJQCQQJEIPRQCC-UHFFFAOYSA-N 1 2 365.437 3.410 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCOC(C)(C)C1 ZINC000452142950 501445041 /nfs/dbraw/zinc/44/50/41/501445041.db2.gz YKCYSSOANDECKA-HNNXBMFYSA-N 1 2 372.425 3.200 20 5 FGBDLO C[C@H](C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000452446998 501501907 /nfs/dbraw/zinc/50/19/07/501501907.db2.gz GLKQNPQXFTUNSG-XHDPSFHLSA-N 1 2 360.389 3.181 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456365721 501510452 /nfs/dbraw/zinc/51/04/52/501510452.db2.gz WDYSUVZVQZSKQZ-SECBINFHSA-N 1 2 367.203 3.065 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc2n1[C@@H](C)CO ZINC000456696797 501579477 /nfs/dbraw/zinc/57/94/77/501579477.db2.gz CXQWPDBQCJBEKN-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000459508690 501666364 /nfs/dbraw/zinc/66/63/64/501666364.db2.gz MFKHTEADAFNIPK-INIZCTEOSA-N 1 2 358.829 3.453 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000478056756 501868043 /nfs/dbraw/zinc/86/80/43/501868043.db2.gz XVSAOAANLODNAH-SFHVURJKSA-N 1 2 373.453 3.125 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCOC3(C2)CCCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000478056756 501868049 /nfs/dbraw/zinc/86/80/49/501868049.db2.gz XVSAOAANLODNAH-SFHVURJKSA-N 1 2 373.453 3.125 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2[nH+]1 ZINC000468043543 501939281 /nfs/dbraw/zinc/93/92/81/501939281.db2.gz ARKCJWOWWSIZSA-UHFFFAOYSA-N 1 2 364.365 3.271 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2[nH+]1 ZINC000468195262 501984724 /nfs/dbraw/zinc/98/47/24/501984724.db2.gz DOIDOAJYOJFPCJ-UHFFFAOYSA-N 1 2 359.773 3.443 20 5 FGBDLO CCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000464498780 502006913 /nfs/dbraw/zinc/00/69/13/502006913.db2.gz QQLZCTGDZGQJHT-AWEZNQCLSA-N 1 2 373.388 3.416 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000599041334 506290167 /nfs/dbraw/zinc/29/01/67/506290167.db2.gz YXAHCOBYXAQEGZ-AWEZNQCLSA-N 1 2 364.409 3.065 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000482459779 502074260 /nfs/dbraw/zinc/07/42/60/502074260.db2.gz OQYMQERIBWQVFK-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000482459779 502074277 /nfs/dbraw/zinc/07/42/77/502074277.db2.gz OQYMQERIBWQVFK-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000483439607 502393645 /nfs/dbraw/zinc/39/36/45/502393645.db2.gz FEPNCASZLFIUGL-INIZCTEOSA-N 1 2 355.394 3.294 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000483439607 502393647 /nfs/dbraw/zinc/39/36/47/502393647.db2.gz FEPNCASZLFIUGL-INIZCTEOSA-N 1 2 355.394 3.294 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccsc1 ZINC000469505730 502444730 /nfs/dbraw/zinc/44/47/30/502444730.db2.gz XIKQTEIPXTVHIA-INIZCTEOSA-N 1 2 363.439 3.175 20 5 FGBDLO Cn1ncc(Br)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000487559482 502479608 /nfs/dbraw/zinc/47/96/08/502479608.db2.gz LHKSTWLVFUXILJ-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO O=C(C[N@@H+]1CCc2cc(Cl)ccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483992154 502543642 /nfs/dbraw/zinc/54/36/42/502543642.db2.gz JCAPGKKMMVVABG-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2cc(Cl)ccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483992154 502543644 /nfs/dbraw/zinc/54/36/44/502543644.db2.gz JCAPGKKMMVVABG-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487918904 502567176 /nfs/dbraw/zinc/56/71/76/502567176.db2.gz MTKPFRFBSBIFGX-UHFFFAOYSA-N 1 2 366.352 3.467 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000462931185 502630648 /nfs/dbraw/zinc/63/06/48/502630648.db2.gz YGQXOUUBEAGBMX-HNNXBMFYSA-N 1 2 356.426 3.293 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000470169460 502691087 /nfs/dbraw/zinc/69/10/87/502691087.db2.gz FJYUUDRFBHBOTB-VKAVYKQESA-N 1 2 365.433 3.456 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602856845 506329707 /nfs/dbraw/zinc/32/97/07/506329707.db2.gz SDHZDAHPQGLCMX-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602856845 506329713 /nfs/dbraw/zinc/32/97/13/506329713.db2.gz SDHZDAHPQGLCMX-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000477372932 502757856 /nfs/dbraw/zinc/75/78/56/502757856.db2.gz MKFJBYDQFMJFFF-UHFFFAOYSA-N 1 2 358.785 3.443 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463420523 502793347 /nfs/dbraw/zinc/79/33/47/502793347.db2.gz UIRJWRWLRPRXBY-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463420523 502793353 /nfs/dbraw/zinc/79/33/53/502793353.db2.gz UIRJWRWLRPRXBY-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000513116690 502856124 /nfs/dbraw/zinc/85/61/24/502856124.db2.gz JROISQBIWKLJAU-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO Cc1cc(NCCCNc2cccc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489200757 502900715 /nfs/dbraw/zinc/90/07/15/502900715.db2.gz UQAULHPMISKINC-UHFFFAOYSA-N 1 2 364.409 3.091 20 5 FGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000509468282 502910901 /nfs/dbraw/zinc/91/09/01/502910901.db2.gz CMVPHAKLMFFWFC-UHFFFAOYSA-N 1 2 374.404 3.403 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000501026126 502914993 /nfs/dbraw/zinc/91/49/93/502914993.db2.gz ALXNRAABCSAKKE-AWEZNQCLSA-N 1 2 356.426 3.071 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1F ZINC000489352539 502935434 /nfs/dbraw/zinc/93/54/34/502935434.db2.gz FAFHGKAXIHOUQM-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1F ZINC000489352539 502935435 /nfs/dbraw/zinc/93/54/35/502935435.db2.gz FAFHGKAXIHOUQM-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000599141239 506342356 /nfs/dbraw/zinc/34/23/56/506342356.db2.gz ZLYKHDDNCNMNOG-ZDUSSCGKSA-N 1 2 362.817 3.338 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000599141239 506342358 /nfs/dbraw/zinc/34/23/58/506342358.db2.gz ZLYKHDDNCNMNOG-ZDUSSCGKSA-N 1 2 362.817 3.338 20 5 FGBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603383 502947395 /nfs/dbraw/zinc/94/73/95/502947395.db2.gz CTXAVPNXSMNDQX-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603383 502947398 /nfs/dbraw/zinc/94/73/98/502947398.db2.gz CTXAVPNXSMNDQX-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505610521 502949755 /nfs/dbraw/zinc/94/97/55/502949755.db2.gz MTIKGSIUUNDFPX-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505610521 502949758 /nfs/dbraw/zinc/94/97/58/502949758.db2.gz MTIKGSIUUNDFPX-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509642254 502955334 /nfs/dbraw/zinc/95/53/34/502955334.db2.gz SIVXUVSNFNSVIX-GFCCVEGCSA-N 1 2 356.369 3.427 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509642254 502955337 /nfs/dbraw/zinc/95/53/37/502955337.db2.gz SIVXUVSNFNSVIX-GFCCVEGCSA-N 1 2 356.369 3.427 20 5 FGBDLO O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000514502919 503132608 /nfs/dbraw/zinc/13/26/08/503132608.db2.gz QKHJMRULIILPKE-UHFFFAOYSA-N 1 2 362.267 3.450 20 5 FGBDLO CCc1cc(Nc2ccc(N(C)C)[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507119241 503234832 /nfs/dbraw/zinc/23/48/32/503234832.db2.gz WEBAIJUPTSMRBE-UHFFFAOYSA-N 1 2 364.409 3.241 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502970054 503316485 /nfs/dbraw/zinc/31/64/85/503316485.db2.gz ODTGGRSRZSOMTC-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502970054 503316488 /nfs/dbraw/zinc/31/64/88/503316488.db2.gz ODTGGRSRZSOMTC-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503217013 503369889 /nfs/dbraw/zinc/36/98/89/503369889.db2.gz NRKBHSAYBMAGAK-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503217013 503369890 /nfs/dbraw/zinc/36/98/90/503369890.db2.gz NRKBHSAYBMAGAK-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492746509 503382703 /nfs/dbraw/zinc/38/27/03/503382703.db2.gz JNQHXFGFLYGRRQ-LBPRGKRZSA-N 1 2 361.364 3.062 20 5 FGBDLO CCOc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492746509 503382707 /nfs/dbraw/zinc/38/27/07/503382707.db2.gz JNQHXFGFLYGRRQ-LBPRGKRZSA-N 1 2 361.364 3.062 20 5 FGBDLO COc1ccc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000493105811 503407017 /nfs/dbraw/zinc/40/70/17/503407017.db2.gz RSKKATNHBSZZIT-QGZVFWFLSA-N 1 2 366.377 3.188 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493460791 503427957 /nfs/dbraw/zinc/42/79/57/503427957.db2.gz KGKGGSWXNZEECK-LBPRGKRZSA-N 1 2 374.466 3.353 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493460791 503427962 /nfs/dbraw/zinc/42/79/62/503427962.db2.gz KGKGGSWXNZEECK-LBPRGKRZSA-N 1 2 374.466 3.353 20 5 FGBDLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000512171585 503476418 /nfs/dbraw/zinc/47/64/18/503476418.db2.gz XMKMVMQCTHJMQA-UHFFFAOYSA-N 1 2 356.357 3.458 20 5 FGBDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000512171585 503476422 /nfs/dbraw/zinc/47/64/22/503476422.db2.gz XMKMVMQCTHJMQA-UHFFFAOYSA-N 1 2 356.357 3.458 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000512240366 503495533 /nfs/dbraw/zinc/49/55/33/503495533.db2.gz CYAKPFMACZVMAE-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000512240366 503495536 /nfs/dbraw/zinc/49/55/36/503495536.db2.gz CYAKPFMACZVMAE-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000512240821 503495780 /nfs/dbraw/zinc/49/57/80/503495780.db2.gz CGHITBJHHRXSGR-HNNXBMFYSA-N 1 2 369.421 3.433 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000512240821 503495782 /nfs/dbraw/zinc/49/57/82/503495782.db2.gz CGHITBJHHRXSGR-HNNXBMFYSA-N 1 2 369.421 3.433 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073697 506376691 /nfs/dbraw/zinc/37/66/91/506376691.db2.gz WXKITCLIDYMZSD-NSHDSACASA-N 1 2 369.368 3.052 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1C ZINC000504555666 503588127 /nfs/dbraw/zinc/58/81/27/503588127.db2.gz QJZXZVISFSIOFR-NSHDSACASA-N 1 2 363.801 3.171 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1C ZINC000504555666 503588131 /nfs/dbraw/zinc/58/81/31/503588131.db2.gz QJZXZVISFSIOFR-NSHDSACASA-N 1 2 363.801 3.171 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCc3c(cccc3[N+](=O)[O-])C1)O[C@@H](C)C2 ZINC000536670751 503670350 /nfs/dbraw/zinc/67/03/50/503670350.db2.gz DTIKCTGCHBGNDO-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCc3c(cccc3[N+](=O)[O-])C1)O[C@@H](C)C2 ZINC000536670751 503670357 /nfs/dbraw/zinc/67/03/57/503670357.db2.gz DTIKCTGCHBGNDO-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO Nc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1[N+](=O)[O-] ZINC000546257478 503688590 /nfs/dbraw/zinc/68/85/90/503688590.db2.gz CJLSAHSHRFLVPC-UHFFFAOYSA-N 1 2 362.349 3.139 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000533385948 503825703 /nfs/dbraw/zinc/82/57/03/503825703.db2.gz CGJMEAVVUWZNGN-MRXNPFEDSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000533385948 503825707 /nfs/dbraw/zinc/82/57/07/503825707.db2.gz CGJMEAVVUWZNGN-MRXNPFEDSA-N 1 2 359.813 3.486 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000543900851 503933967 /nfs/dbraw/zinc/93/39/67/503933967.db2.gz HTNNGFNUWQHJEZ-QGZVFWFLSA-N 1 2 366.377 3.316 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000518877975 504083583 /nfs/dbraw/zinc/08/35/83/504083583.db2.gz MMVYOSQIDBMBEA-UHFFFAOYSA-N 1 2 373.478 3.278 20 5 FGBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000534298718 504100219 /nfs/dbraw/zinc/10/02/19/504100219.db2.gz BZFRCAOFHOPXIC-UHFFFAOYSA-N 1 2 357.391 3.127 20 5 FGBDLO COCC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000537996715 504106155 /nfs/dbraw/zinc/10/61/55/504106155.db2.gz YJYFJEMQSLNFRB-GFCCVEGCSA-N 1 2 369.849 3.324 20 5 FGBDLO CC[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000531093480 504187209 /nfs/dbraw/zinc/18/72/09/504187209.db2.gz PXKQJIWHFRQYFS-CQSZACIVSA-N 1 2 356.304 3.241 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000538669704 504322141 /nfs/dbraw/zinc/32/21/41/504322141.db2.gz MZLPURRTYJVRMQ-UHFFFAOYSA-N 1 2 350.378 3.352 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)ccc3F)CC2)cn1 ZINC000535072300 504335133 /nfs/dbraw/zinc/33/51/33/504335133.db2.gz CJKAMWJLQVKTDK-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(F)cc1Cl)CC2 ZINC000542549655 504536443 /nfs/dbraw/zinc/53/64/43/504536443.db2.gz KYZKOEYIEOQPIL-UHFFFAOYSA-N 1 2 351.765 3.219 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(F)cc1Cl)CC2 ZINC000542549655 504536446 /nfs/dbraw/zinc/53/64/46/504536446.db2.gz KYZKOEYIEOQPIL-UHFFFAOYSA-N 1 2 351.765 3.219 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000536034167 504613318 /nfs/dbraw/zinc/61/33/18/504613318.db2.gz CXPOSYCGWLDXDF-MRXNPFEDSA-N 1 2 351.362 3.258 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000536034167 504613321 /nfs/dbraw/zinc/61/33/21/504613321.db2.gz CXPOSYCGWLDXDF-MRXNPFEDSA-N 1 2 351.362 3.258 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000532512541 504676970 /nfs/dbraw/zinc/67/69/70/504676970.db2.gz DEOOMUVHRXITIX-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000532512541 504676975 /nfs/dbraw/zinc/67/69/75/504676975.db2.gz DEOOMUVHRXITIX-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000536378423 504715352 /nfs/dbraw/zinc/71/53/52/504715352.db2.gz LUQNHCAORWMIOR-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000536378423 504715354 /nfs/dbraw/zinc/71/53/54/504715354.db2.gz LUQNHCAORWMIOR-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549337694 504794593 /nfs/dbraw/zinc/79/45/93/504794593.db2.gz VNQQXOQCGUWHDK-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000559276365 504817777 /nfs/dbraw/zinc/81/77/77/504817777.db2.gz SQKWOKXRETVMOB-UHFFFAOYSA-N 1 2 350.378 3.289 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000565270473 504838947 /nfs/dbraw/zinc/83/89/47/504838947.db2.gz DFDCGQZXROCFRZ-HOFZKYPUSA-N 1 2 358.419 3.116 20 5 FGBDLO COC(=O)c1cc(C)nc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000553247225 504863468 /nfs/dbraw/zinc/86/34/68/504863468.db2.gz NUDPJUWQUUCKCH-UHFFFAOYSA-N 1 2 371.397 3.214 20 5 FGBDLO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000549686978 504873423 /nfs/dbraw/zinc/87/34/23/504873423.db2.gz HNCPQZHOYOKISP-FUHWJXTLSA-N 1 2 363.364 3.114 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000559504779 504877477 /nfs/dbraw/zinc/87/74/77/504877477.db2.gz UCIXKQGRQJNRHG-LLVKDONJSA-N 1 2 357.332 3.425 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000559504779 504877480 /nfs/dbraw/zinc/87/74/80/504877480.db2.gz UCIXKQGRQJNRHG-LLVKDONJSA-N 1 2 357.332 3.425 20 5 FGBDLO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549740684 504885563 /nfs/dbraw/zinc/88/55/63/504885563.db2.gz FPUFZOBQUPNBEE-UHFFFAOYSA-N 1 2 355.394 3.151 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000562849063 504964573 /nfs/dbraw/zinc/96/45/73/504964573.db2.gz KHWUTXZFFZMRGN-WMLDXEAASA-N 1 2 356.426 3.179 20 5 FGBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557697393 505206148 /nfs/dbraw/zinc/20/61/48/505206148.db2.gz VIENQTSRVTVMLT-WMRANVBESA-N 1 2 366.421 3.220 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000566985544 505331463 /nfs/dbraw/zinc/33/14/63/505331463.db2.gz NWOXJWSJOPQIDG-ZIAGYGMSSA-N 1 2 372.425 3.224 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035647 505376523 /nfs/dbraw/zinc/37/65/23/505376523.db2.gz BPOCVCFTSYPTCB-HDJSIYSDSA-N 1 2 370.409 3.152 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000555593402 505466613 /nfs/dbraw/zinc/46/66/13/505466613.db2.gz KHIQFJOARJEHLN-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000555593402 505466614 /nfs/dbraw/zinc/46/66/14/505466614.db2.gz KHIQFJOARJEHLN-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522829 505507997 /nfs/dbraw/zinc/50/79/97/505507997.db2.gz HYTAUMPDVXCXHL-QQNRWZHASA-N 1 2 353.426 3.483 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522829 505508002 /nfs/dbraw/zinc/50/80/02/505508002.db2.gz HYTAUMPDVXCXHL-QQNRWZHASA-N 1 2 353.426 3.483 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccnc3C(F)(F)F)C2)nc1 ZINC000599325280 506413588 /nfs/dbraw/zinc/41/35/88/506413588.db2.gz CFXPDBLHCNPMBQ-LBPRGKRZSA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)nc1 ZINC000599325280 506413597 /nfs/dbraw/zinc/41/35/97/506413597.db2.gz CFXPDBLHCNPMBQ-LBPRGKRZSA-N 1 2 367.331 3.090 20 5 FGBDLO CC1(C)[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(F)F ZINC000596513013 506442103 /nfs/dbraw/zinc/44/21/03/506442103.db2.gz OXCXCXFYIVBPAK-OAHLLOKOSA-N 1 2 355.385 3.130 20 5 FGBDLO CC(C)(C)O[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596550756 506457085 /nfs/dbraw/zinc/45/70/85/506457085.db2.gz NTEOAJJQZBGDKB-WKILWMFISA-N 1 2 363.458 3.185 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591171 506476803 /nfs/dbraw/zinc/47/68/03/506476803.db2.gz HMFVNTGDJUBNKF-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591171 506476807 /nfs/dbraw/zinc/47/68/07/506476807.db2.gz HMFVNTGDJUBNKF-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccs2)CC1 ZINC000612610697 506650428 /nfs/dbraw/zinc/65/04/28/506650428.db2.gz DLHGWLUEMIMKPZ-UHFFFAOYSA-N 1 2 364.402 3.145 20 5 FGBDLO Cn1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000612692101 506692966 /nfs/dbraw/zinc/69/29/66/506692966.db2.gz UUIJPYFPBIBSJN-UHFFFAOYSA-N 1 2 362.336 3.373 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000597212289 506838841 /nfs/dbraw/zinc/83/88/41/506838841.db2.gz SXWHFQNZFNDOSY-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000597212289 506838848 /nfs/dbraw/zinc/83/88/48/506838848.db2.gz SXWHFQNZFNDOSY-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604481484 506845753 /nfs/dbraw/zinc/84/57/53/506845753.db2.gz YVYJXJZBMLODTA-UHFFFAOYSA-N 1 2 351.362 3.087 20 5 FGBDLO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000609440410 506881455 /nfs/dbraw/zinc/88/14/55/506881455.db2.gz ZZQLUUMOHIVIMT-AWEZNQCLSA-N 1 2 359.430 3.162 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594026346 506892357 /nfs/dbraw/zinc/89/23/57/506892357.db2.gz JMSQWKUSOHUPSY-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594026346 506892365 /nfs/dbraw/zinc/89/23/65/506892365.db2.gz JMSQWKUSOHUPSY-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610076880 507091217 /nfs/dbraw/zinc/09/12/17/507091217.db2.gz HHVGCBOORRKTHI-CYBMUJFWSA-N 1 2 368.315 3.128 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601136493 507274553 /nfs/dbraw/zinc/27/45/53/507274553.db2.gz GIIBVAOTVJRVRZ-HNNXBMFYSA-N 1 2 354.765 3.306 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148620 507277741 /nfs/dbraw/zinc/27/77/41/507277741.db2.gz FOXBHUPGOAJDFV-MRXNPFEDSA-N 1 2 365.227 3.355 20 5 FGBDLO C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000601314644 507333678 /nfs/dbraw/zinc/33/36/78/507333678.db2.gz MGRWAKRAIOTUTI-MAUKXSAKSA-N 1 2 368.437 3.323 20 5 FGBDLO Cc1noc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[N+](=O)[O-] ZINC000595295736 507452052 /nfs/dbraw/zinc/45/20/52/507452052.db2.gz QVGVXRHVXXBZLI-IUODEOHRSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[N+](=O)[O-] ZINC000595295736 507452054 /nfs/dbraw/zinc/45/20/54/507452054.db2.gz QVGVXRHVXXBZLI-IUODEOHRSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000595526129 507545107 /nfs/dbraw/zinc/54/51/07/507545107.db2.gz JYBPDMFGEZQCQK-UHFFFAOYSA-N 1 2 370.331 3.443 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000611252741 507581824 /nfs/dbraw/zinc/58/18/24/507581824.db2.gz DKNYPVZOZFQPKL-INIZCTEOSA-N 1 2 371.437 3.151 20 5 FGBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611272320 507596687 /nfs/dbraw/zinc/59/66/87/507596687.db2.gz WQVZAZCHYDIMEE-HXUWFJFHSA-N 1 2 370.405 3.248 20 5 FGBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611272320 507596688 /nfs/dbraw/zinc/59/66/88/507596688.db2.gz WQVZAZCHYDIMEE-HXUWFJFHSA-N 1 2 370.405 3.248 20 5 FGBDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000592516906 507689484 /nfs/dbraw/zinc/68/94/84/507689484.db2.gz FIPBQAZCKVTOMZ-UHFFFAOYSA-N 1 2 368.393 3.160 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000614923418 507694933 /nfs/dbraw/zinc/69/49/33/507694933.db2.gz AEZKYNWQZDAXRR-AWEZNQCLSA-N 1 2 366.311 3.286 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000614923418 507694937 /nfs/dbraw/zinc/69/49/37/507694937.db2.gz AEZKYNWQZDAXRR-AWEZNQCLSA-N 1 2 366.311 3.286 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccon2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595827611 507703155 /nfs/dbraw/zinc/70/31/55/507703155.db2.gz DNJVSOLUJFATPD-UHFFFAOYSA-N 1 2 364.789 3.054 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000602475773 507720872 /nfs/dbraw/zinc/72/08/72/507720872.db2.gz ZJDZXGXAPHWROI-LLVKDONJSA-N 1 2 358.238 3.113 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000602475773 507720875 /nfs/dbraw/zinc/72/08/75/507720875.db2.gz ZJDZXGXAPHWROI-LLVKDONJSA-N 1 2 358.238 3.113 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000602483292 507721398 /nfs/dbraw/zinc/72/13/98/507721398.db2.gz IPYPMHGVYUBMTH-GFCCVEGCSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000602483292 507721402 /nfs/dbraw/zinc/72/14/02/507721402.db2.gz IPYPMHGVYUBMTH-GFCCVEGCSA-N 1 2 369.347 3.420 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554727 507735129 /nfs/dbraw/zinc/73/51/29/507735129.db2.gz XCMWHMSRFCTGPW-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554727 507735138 /nfs/dbraw/zinc/73/51/38/507735138.db2.gz XCMWHMSRFCTGPW-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554129 507735552 /nfs/dbraw/zinc/73/55/52/507735552.db2.gz FHMKGHXUIGYUGA-RYUDHWBXSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554129 507735557 /nfs/dbraw/zinc/73/55/57/507735557.db2.gz FHMKGHXUIGYUGA-RYUDHWBXSA-N 1 2 359.348 3.220 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595910660 507739096 /nfs/dbraw/zinc/73/90/96/507739096.db2.gz LHFSJJCWIUNCAR-UHFFFAOYSA-N 1 2 367.405 3.163 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595910660 507739098 /nfs/dbraw/zinc/73/90/98/507739098.db2.gz LHFSJJCWIUNCAR-UHFFFAOYSA-N 1 2 367.405 3.163 20 5 FGBDLO CC[N@@H+](c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1)C(C)C ZINC000821241873 599448774 /nfs/dbraw/zinc/44/87/74/599448774.db2.gz PMPIFAAYGUOVAT-UHFFFAOYSA-N 1 2 368.401 3.148 20 5 FGBDLO CC[N@H+](c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1)C(C)C ZINC000821241873 599448778 /nfs/dbraw/zinc/44/87/78/599448778.db2.gz PMPIFAAYGUOVAT-UHFFFAOYSA-N 1 2 368.401 3.148 20 5 FGBDLO CN(C)c1noc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000374877008 713950203 /nfs/dbraw/zinc/95/02/03/713950203.db2.gz NQPPWLMBHFPQGD-UHFFFAOYSA-N 1 2 365.821 3.077 20 5 FGBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000792312326 723328247 /nfs/dbraw/zinc/32/82/47/723328247.db2.gz BWEZPAUSAAYWKM-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000792312326 723328248 /nfs/dbraw/zinc/32/82/48/723328248.db2.gz BWEZPAUSAAYWKM-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662153 723539113 /nfs/dbraw/zinc/53/91/13/723539113.db2.gz HTPJVNFKTQEAHG-MFKMUULPSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662153 723539116 /nfs/dbraw/zinc/53/91/16/723539116.db2.gz HTPJVNFKTQEAHG-MFKMUULPSA-N 1 2 355.320 3.084 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796304793 723631890 /nfs/dbraw/zinc/63/18/90/723631890.db2.gz MELVVVVBRPTURF-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796304793 723631892 /nfs/dbraw/zinc/63/18/92/723631892.db2.gz MELVVVVBRPTURF-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO O=[N+]([O-])c1cc(CN2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000769312346 723682138 /nfs/dbraw/zinc/68/21/38/723682138.db2.gz QMJVVQNMXAQABM-CYBMUJFWSA-N 1 2 365.231 3.391 20 5 FGBDLO C[N@H+](CCc1nccs1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769544047 723689309 /nfs/dbraw/zinc/68/93/09/723689309.db2.gz RPXXLLTVRQHROM-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO C[N@@H+](CCc1nccs1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769544047 723689310 /nfs/dbraw/zinc/68/93/10/723689310.db2.gz RPXXLLTVRQHROM-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769846515 723697812 /nfs/dbraw/zinc/69/78/12/723697812.db2.gz MIIVAXMDWWVHQI-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769846515 723697813 /nfs/dbraw/zinc/69/78/13/723697813.db2.gz MIIVAXMDWWVHQI-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(OC[C@@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000798918074 723975145 /nfs/dbraw/zinc/97/51/45/723975145.db2.gz UCPCSPKYMIKUQN-LLVKDONJSA-N 1 2 351.309 3.373 20 5 FGBDLO C[C@@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000787245973 725021992 /nfs/dbraw/zinc/02/19/92/725021992.db2.gz REIKHYDSTNOWPM-JTQLQIEISA-N 1 2 359.213 3.455 20 5 FGBDLO C[C@@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000787245973 725021994 /nfs/dbraw/zinc/02/19/94/725021994.db2.gz REIKHYDSTNOWPM-JTQLQIEISA-N 1 2 359.213 3.455 20 5 FGBDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000814033524 726933555 /nfs/dbraw/zinc/93/35/55/726933555.db2.gz BUTRXGJVHLRDSQ-FZMZJTMJSA-N 1 2 362.348 3.297 20 5 FGBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000877551087 736682756 /nfs/dbraw/zinc/68/27/56/736682756.db2.gz VXVXOLJURIAPNN-ZETCQYMHSA-N 1 2 363.727 3.246 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846907508 730993832 /nfs/dbraw/zinc/99/38/32/730993832.db2.gz IKOBGWRPMSOQPT-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2ccncc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846907508 730993834 /nfs/dbraw/zinc/99/38/34/730993834.db2.gz IKOBGWRPMSOQPT-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000859411829 732325438 /nfs/dbraw/zinc/32/54/38/732325438.db2.gz NQRQIKJGWPLTQI-UWVGGRQHSA-N 1 2 361.776 3.410 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n1 ZINC000864976881 733123443 /nfs/dbraw/zinc/12/34/43/733123443.db2.gz ONSXTFCCTMVFSJ-UHFFFAOYSA-N 1 2 366.418 3.213 20 5 FGBDLO COc1cnc(F)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000877482503 736226346 /nfs/dbraw/zinc/22/63/46/736226346.db2.gz BFZWUONFPKSVGL-UHFFFAOYSA-N 1 2 359.279 3.446 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)n1 ZINC000877484024 736226702 /nfs/dbraw/zinc/22/67/02/736226702.db2.gz TVKSTUDEELOBAG-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961603 737090953 /nfs/dbraw/zinc/09/09/53/737090953.db2.gz GVWUCSYZTYDYAA-RYUDHWBXSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961603 737090959 /nfs/dbraw/zinc/09/09/59/737090959.db2.gz GVWUCSYZTYDYAA-RYUDHWBXSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](CC(=O)OCc1c(Br)cccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000909412919 744362111 /nfs/dbraw/zinc/36/21/11/744362111.db2.gz NVYOBJFSWNGVMU-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000917615208 758250169 /nfs/dbraw/zinc/25/01/69/758250169.db2.gz IUSJBSOOXHBIAM-MDZLAQPJSA-N 1 2 357.252 3.412 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000917615208 758250172 /nfs/dbraw/zinc/25/01/72/758250172.db2.gz IUSJBSOOXHBIAM-MDZLAQPJSA-N 1 2 357.252 3.412 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927081013 759887117 /nfs/dbraw/zinc/88/71/17/759887117.db2.gz YHQODAMXLQBBGL-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000162392670 257364297 /nfs/dbraw/zinc/36/42/97/257364297.db2.gz PEGOOHFLYZCBNX-ZDUSSCGKSA-N 1 2 372.450 3.111 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1cscc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149856 507277091 /nfs/dbraw/zinc/27/70/91/507277091.db2.gz QTPPEHWVTJTZCU-AWEZNQCLSA-N 1 2 371.256 3.416 20 5 FGBDLO C[NH+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccc(Cl)c1 ZINC000570885184 505602634 /nfs/dbraw/zinc/60/26/34/505602634.db2.gz WZMDSCLVMCJRBO-MRXNPFEDSA-N 1 2 373.800 3.268 20 5 FGBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576967701 505635306 /nfs/dbraw/zinc/63/53/06/505635306.db2.gz SPZXKTBKTACBIS-QGZVFWFLSA-N 1 2 364.409 3.079 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1F ZINC000029584475 493845975 /nfs/dbraw/zinc/84/59/75/493845975.db2.gz ZPGCRWSYKIWPEI-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CN1CC[NH+](C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910665 493893708 /nfs/dbraw/zinc/89/37/08/493893708.db2.gz SBOPPWURRMEUFU-GOSISDBHSA-N 1 2 358.417 3.135 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031314011 493938204 /nfs/dbraw/zinc/93/82/04/493938204.db2.gz BMFDKODAAWXHMX-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1sc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000032080507 493973043 /nfs/dbraw/zinc/97/30/43/493973043.db2.gz VAUFQCHYJHFQFC-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032487710 493992925 /nfs/dbraw/zinc/99/29/25/493992925.db2.gz LFGAYHSUCWGYBY-UHFFFAOYSA-N 1 2 350.378 3.361 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1F ZINC000007187446 494005600 /nfs/dbraw/zinc/00/56/00/494005600.db2.gz ZLAGBEHYPHLUES-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218855 494012801 /nfs/dbraw/zinc/01/28/01/494012801.db2.gz RVWZSFVUSRLDPO-BETUJISGSA-N 1 2 360.389 3.355 20 5 FGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc([S@@](C)=O)cc1 ZINC000083250085 494013726 /nfs/dbraw/zinc/01/37/26/494013726.db2.gz NQEDEKSXMXONOB-VWLOTQADSA-N 1 2 359.407 3.105 20 5 FGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc([S@@](C)=O)cc1 ZINC000083250085 494013733 /nfs/dbraw/zinc/01/37/33/494013733.db2.gz NQEDEKSXMXONOB-VWLOTQADSA-N 1 2 359.407 3.105 20 5 FGBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052747744 494060003 /nfs/dbraw/zinc/06/00/03/494060003.db2.gz CUJBHUYYPMSPRH-UHFFFAOYSA-N 1 2 371.412 3.437 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000063657051 494074808 /nfs/dbraw/zinc/07/48/08/494074808.db2.gz QGFQXAAYNLJSEP-UHFFFAOYSA-N 1 2 370.340 3.262 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234817 494145701 /nfs/dbraw/zinc/14/57/01/494145701.db2.gz YPLBUGDHFAZVAA-GFCCVEGCSA-N 1 2 359.382 3.361 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234817 494145704 /nfs/dbraw/zinc/14/57/04/494145704.db2.gz YPLBUGDHFAZVAA-GFCCVEGCSA-N 1 2 359.382 3.361 20 5 FGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000086235395 494145843 /nfs/dbraw/zinc/14/58/43/494145843.db2.gz WERZGSRQRKSRMS-ZDUSSCGKSA-N 1 2 355.394 3.303 20 5 FGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000086235395 494145847 /nfs/dbraw/zinc/14/58/47/494145847.db2.gz WERZGSRQRKSRMS-ZDUSSCGKSA-N 1 2 355.394 3.303 20 5 FGBDLO COc1ccc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000053687034 494158929 /nfs/dbraw/zinc/15/89/29/494158929.db2.gz TXRIJCKTBWWJOV-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000065722737 494229397 /nfs/dbraw/zinc/22/93/97/494229397.db2.gz GVGPIIMUMOGSNY-UHFFFAOYSA-N 1 2 361.361 3.374 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N(Cc1ccccc1)C1CC1 ZINC000088606063 494253216 /nfs/dbraw/zinc/25/32/16/494253216.db2.gz ZCLQSDZKDFGFRF-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N(Cc1ccccc1)C1CC1 ZINC000088606063 494253219 /nfs/dbraw/zinc/25/32/19/494253219.db2.gz ZCLQSDZKDFGFRF-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000016558638 494394365 /nfs/dbraw/zinc/39/43/65/494394365.db2.gz UYDJRNGGIOJNAF-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000016558638 494394366 /nfs/dbraw/zinc/39/43/66/494394366.db2.gz UYDJRNGGIOJNAF-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000016626701 494397081 /nfs/dbraw/zinc/39/70/81/494397081.db2.gz XWFUDBJLVGYDGT-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000016626701 494397086 /nfs/dbraw/zinc/39/70/86/494397086.db2.gz XWFUDBJLVGYDGT-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)co2)cc1 ZINC000089920665 494401854 /nfs/dbraw/zinc/40/18/54/494401854.db2.gz AKOVDXXOOBUAII-IBGZPJMESA-N 1 2 365.389 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@@H]3CO)co2)cc1 ZINC000089920665 494401860 /nfs/dbraw/zinc/40/18/60/494401860.db2.gz AKOVDXXOOBUAII-IBGZPJMESA-N 1 2 365.389 3.342 20 5 FGBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853020 494426279 /nfs/dbraw/zinc/42/62/79/494426279.db2.gz RIWWFVGEMCRFOK-AUUYWEPGSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853020 494426282 /nfs/dbraw/zinc/42/62/82/494426282.db2.gz RIWWFVGEMCRFOK-AUUYWEPGSA-N 1 2 370.405 3.423 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000067054631 494464243 /nfs/dbraw/zinc/46/42/43/494464243.db2.gz WZBQDHVEHQBJFK-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO Cc1c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000045960157 494479891 /nfs/dbraw/zinc/47/98/91/494479891.db2.gz OAXNGSAPTITONH-UHFFFAOYSA-N 1 2 355.398 3.089 20 5 FGBDLO Cc1ccn2cc(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860887 494538865 /nfs/dbraw/zinc/53/88/65/494538865.db2.gz JFITUBYUEITOQG-UHFFFAOYSA-N 1 2 367.409 3.301 20 5 FGBDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599516 494539720 /nfs/dbraw/zinc/53/97/20/494539720.db2.gz CAHBAHBOAIDGMU-CABCVRRESA-N 1 2 371.437 3.301 20 5 FGBDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599516 494539724 /nfs/dbraw/zinc/53/97/24/494539724.db2.gz CAHBAHBOAIDGMU-CABCVRRESA-N 1 2 371.437 3.301 20 5 FGBDLO CSc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046863021 494575308 /nfs/dbraw/zinc/57/53/08/494575308.db2.gz CNMZELUFGIDSFB-UHFFFAOYSA-N 1 2 373.478 3.407 20 5 FGBDLO CSc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046863021 494575313 /nfs/dbraw/zinc/57/53/13/494575313.db2.gz CNMZELUFGIDSFB-UHFFFAOYSA-N 1 2 373.478 3.407 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046864175 494575716 /nfs/dbraw/zinc/57/57/16/494575716.db2.gz XQLMFONDGIIJDO-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046864175 494575718 /nfs/dbraw/zinc/57/57/18/494575718.db2.gz XQLMFONDGIIJDO-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000126010485 494604543 /nfs/dbraw/zinc/60/45/43/494604543.db2.gz CDOWLDUSNYIEMB-UHFFFAOYSA-N 1 2 350.378 3.293 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000131433233 494617052 /nfs/dbraw/zinc/61/70/52/494617052.db2.gz XMCJOMGVXWSFCJ-LPHOPBHVSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000131433233 494617060 /nfs/dbraw/zinc/61/70/60/494617060.db2.gz XMCJOMGVXWSFCJ-LPHOPBHVSA-N 1 2 357.454 3.134 20 5 FGBDLO Cc1cccn2cc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[nH+]c12 ZINC000091628228 494632176 /nfs/dbraw/zinc/63/21/76/494632176.db2.gz STVJTMPOFFJNPJ-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO COc1ccccc1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000091771980 494675022 /nfs/dbraw/zinc/67/50/22/494675022.db2.gz BUAFRDHWXZDTJL-SFHVURJKSA-N 1 2 372.421 3.490 20 5 FGBDLO COc1ccccc1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000091771980 494675027 /nfs/dbraw/zinc/67/50/27/494675027.db2.gz BUAFRDHWXZDTJL-SFHVURJKSA-N 1 2 372.421 3.490 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCC[C@H]2N1 ZINC000092703204 494715860 /nfs/dbraw/zinc/71/58/60/494715860.db2.gz QINBVXGFQHCZHM-WBVHZDCISA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCC[C@H]2N1 ZINC000092703204 494715868 /nfs/dbraw/zinc/71/58/68/494715868.db2.gz QINBVXGFQHCZHM-WBVHZDCISA-N 1 2 355.394 3.098 20 5 FGBDLO CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000075295605 494720159 /nfs/dbraw/zinc/72/01/59/494720159.db2.gz NFAPRCSEFMKGPK-LPHOPBHVSA-N 1 2 372.425 3.056 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000047745429 494770208 /nfs/dbraw/zinc/77/02/08/494770208.db2.gz GZXNORSEKLIMMJ-UHFFFAOYSA-N 1 2 361.829 3.449 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349011 494820156 /nfs/dbraw/zinc/82/01/56/494820156.db2.gz FHMCYPZQNYXNEF-KRWDZBQOSA-N 1 2 357.410 3.453 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349011 494820159 /nfs/dbraw/zinc/82/01/59/494820159.db2.gz FHMCYPZQNYXNEF-KRWDZBQOSA-N 1 2 357.410 3.453 20 5 FGBDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348633 494820846 /nfs/dbraw/zinc/82/08/46/494820846.db2.gz JGXZOLJRDTWJML-CQSZACIVSA-N 1 2 357.410 3.371 20 5 FGBDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348633 494820853 /nfs/dbraw/zinc/82/08/53/494820853.db2.gz JGXZOLJRDTWJML-CQSZACIVSA-N 1 2 357.410 3.371 20 5 FGBDLO CSc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000109282037 494854718 /nfs/dbraw/zinc/85/47/18/494854718.db2.gz VBNCRHZCDSTSSR-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000122006815 494907990 /nfs/dbraw/zinc/90/79/90/494907990.db2.gz ATRQIWLXKXNAAI-LLVKDONJSA-N 1 2 362.455 3.214 20 5 FGBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000122006815 494907993 /nfs/dbraw/zinc/90/79/93/494907993.db2.gz ATRQIWLXKXNAAI-LLVKDONJSA-N 1 2 362.455 3.214 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000093910734 494934288 /nfs/dbraw/zinc/93/42/88/494934288.db2.gz LQPWNRYFGGRQEO-UHFFFAOYSA-N 1 2 352.394 3.140 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574341745 505751054 /nfs/dbraw/zinc/75/10/54/505751054.db2.gz ADCABRFQZVTQFT-GFCCVEGCSA-N 1 2 359.348 3.104 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574341745 505751057 /nfs/dbraw/zinc/75/10/57/505751057.db2.gz ADCABRFQZVTQFT-GFCCVEGCSA-N 1 2 359.348 3.104 20 5 FGBDLO CCC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000128198662 495060143 /nfs/dbraw/zinc/06/01/43/495060143.db2.gz NVNUXAYVGGNMKN-LBPRGKRZSA-N 1 2 369.849 3.060 20 5 FGBDLO Cc1nn(C)c(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000112182884 495151024 /nfs/dbraw/zinc/15/10/24/495151024.db2.gz VGBHSCASSLADIC-UHFFFAOYSA-N 1 2 353.338 3.076 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@H]2N1 ZINC000123602971 495158924 /nfs/dbraw/zinc/15/89/24/495158924.db2.gz IFCPLAVSULBLNH-SJORKVTESA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@H]2N1 ZINC000123602971 495158925 /nfs/dbraw/zinc/15/89/25/495158925.db2.gz IFCPLAVSULBLNH-SJORKVTESA-N 1 2 355.394 3.098 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134539280 495165516 /nfs/dbraw/zinc/16/55/16/495165516.db2.gz IUSCFJDCLIBHES-UHFFFAOYSA-N 1 2 356.357 3.212 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000123661126 495168290 /nfs/dbraw/zinc/16/82/90/495168290.db2.gz BKAGPPKUWFWKSE-INIZCTEOSA-N 1 2 371.462 3.492 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000129024823 495184387 /nfs/dbraw/zinc/18/43/87/495184387.db2.gz OFHIUJWFULGHHI-GFCCVEGCSA-N 1 2 363.414 3.314 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000119994565 495284796 /nfs/dbraw/zinc/28/47/96/495284796.db2.gz JHQQSWNKMIUJSI-UHFFFAOYSA-N 1 2 357.414 3.109 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC3 ZINC000104723449 495301294 /nfs/dbraw/zinc/30/12/94/495301294.db2.gz YOPORXRCDZDZTA-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC3 ZINC000104723449 495301296 /nfs/dbraw/zinc/30/12/96/495301296.db2.gz YOPORXRCDZDZTA-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000135907507 495342297 /nfs/dbraw/zinc/34/22/97/495342297.db2.gz RQXOPPDYLRHJCE-UHFFFAOYSA-N 1 2 360.439 3.098 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000125467075 495448817 /nfs/dbraw/zinc/44/88/17/495448817.db2.gz JBVBTQXBVUJQGE-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000125467075 495448821 /nfs/dbraw/zinc/44/88/21/495448821.db2.gz JBVBTQXBVUJQGE-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000137941779 495453540 /nfs/dbraw/zinc/45/35/40/495453540.db2.gz RBHGBIXGGWVEGU-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000176182393 495535638 /nfs/dbraw/zinc/53/56/38/495535638.db2.gz CBVWFMFTWNVWKU-AWEZNQCLSA-N 1 2 367.409 3.420 20 5 FGBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179563782 495642619 /nfs/dbraw/zinc/64/26/19/495642619.db2.gz UVEKEYRMUKSERM-AWEZNQCLSA-N 1 2 351.410 3.374 20 5 FGBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179563782 495642625 /nfs/dbraw/zinc/64/26/25/495642625.db2.gz UVEKEYRMUKSERM-AWEZNQCLSA-N 1 2 351.410 3.374 20 5 FGBDLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000170895670 495644727 /nfs/dbraw/zinc/64/47/27/495644727.db2.gz ICVXWGSTTLPUII-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCCCNc3cccc[nH+]3)cc2N1 ZINC000171069847 495711288 /nfs/dbraw/zinc/71/12/88/495711288.db2.gz HAWNNWZUZQBVKS-UHFFFAOYSA-N 1 2 355.398 3.179 20 5 FGBDLO CCOc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000182877911 495739326 /nfs/dbraw/zinc/73/93/26/495739326.db2.gz GUGWUFROLBGPQA-CQSZACIVSA-N 1 2 372.425 3.398 20 5 FGBDLO C[S@](=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000159581081 495762854 /nfs/dbraw/zinc/76/28/54/495762854.db2.gz OUSGEOXRVKWCPG-WAIKUNEKSA-N 1 2 352.843 3.458 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179913234 495780714 /nfs/dbraw/zinc/78/07/14/495780714.db2.gz PPEAFJSIAASYNR-LBPRGKRZSA-N 1 2 361.373 3.340 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179982764 495810276 /nfs/dbraw/zinc/81/02/76/495810276.db2.gz PJZZITXESGPSFG-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179982764 495810279 /nfs/dbraw/zinc/81/02/79/495810279.db2.gz PJZZITXESGPSFG-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245544 495879946 /nfs/dbraw/zinc/87/99/46/495879946.db2.gz IVPVQOUFLUNJHB-ZDUSSCGKSA-N 1 2 350.415 3.168 20 5 FGBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180270483 495931650 /nfs/dbraw/zinc/93/16/50/495931650.db2.gz CGAPMOQUIVOXBZ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180270483 495931656 /nfs/dbraw/zinc/93/16/56/495931656.db2.gz CGAPMOQUIVOXBZ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155485631 495970863 /nfs/dbraw/zinc/97/08/63/495970863.db2.gz UKVAPXZWXIDRCO-LBPRGKRZSA-N 1 2 360.801 3.042 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000177221973 495983191 /nfs/dbraw/zinc/98/31/91/495983191.db2.gz HFHAUXJVHKOLJJ-CYBMUJFWSA-N 1 2 373.409 3.076 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000177221973 495983194 /nfs/dbraw/zinc/98/31/94/495983194.db2.gz HFHAUXJVHKOLJJ-CYBMUJFWSA-N 1 2 373.409 3.076 20 5 FGBDLO Cc1cnc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)s1 ZINC000174544840 496002378 /nfs/dbraw/zinc/00/23/78/496002378.db2.gz JRZQJBRTEIYNMZ-OAHLLOKOSA-N 1 2 361.423 3.467 20 5 FGBDLO CSc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000186507420 496024752 /nfs/dbraw/zinc/02/47/52/496024752.db2.gz CDIKUWNZNVUKGG-UHFFFAOYSA-N 1 2 372.450 3.064 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000160934734 496070587 /nfs/dbraw/zinc/07/05/87/496070587.db2.gz NHOKORWLRCDIAL-HNNXBMFYSA-N 1 2 373.434 3.395 20 5 FGBDLO CCCCC[N@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000180803888 496153795 /nfs/dbraw/zinc/15/37/95/496153795.db2.gz WBMZIOSMBYHEBE-UHFFFAOYSA-N 1 2 362.455 3.196 20 5 FGBDLO CCCCC[N@@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000180803888 496153802 /nfs/dbraw/zinc/15/38/02/496153802.db2.gz WBMZIOSMBYHEBE-UHFFFAOYSA-N 1 2 362.455 3.196 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023517 496329812 /nfs/dbraw/zinc/32/98/12/496329812.db2.gz ARNGSCXHRABREE-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023517 496329820 /nfs/dbraw/zinc/32/98/20/496329820.db2.gz ARNGSCXHRABREE-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000184385629 496361804 /nfs/dbraw/zinc/36/18/04/496361804.db2.gz HUQPGASNKSFGHX-NSHDSACASA-N 1 2 351.453 3.237 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000153220105 496387585 /nfs/dbraw/zinc/38/75/85/496387585.db2.gz BVSRIZVZSNHFTL-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172750017 496414691 /nfs/dbraw/zinc/41/46/91/496414691.db2.gz JGVLWNHFTBQPNQ-UHFFFAOYSA-N 1 2 362.267 3.450 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000162852613 496423205 /nfs/dbraw/zinc/42/32/05/496423205.db2.gz ODTMNGCUHIJQEN-UHFFFAOYSA-N 1 2 355.398 3.089 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178420630 496450563 /nfs/dbraw/zinc/45/05/63/496450563.db2.gz MDKZECFXSLEBLE-RUZDIDTESA-N 1 2 362.451 3.363 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178420630 496450568 /nfs/dbraw/zinc/45/05/68/496450568.db2.gz MDKZECFXSLEBLE-RUZDIDTESA-N 1 2 362.451 3.363 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000184801438 496537568 /nfs/dbraw/zinc/53/75/68/496537568.db2.gz ZLPPNRYSBQQYAY-LLVKDONJSA-N 1 2 358.789 3.075 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000173117005 496556276 /nfs/dbraw/zinc/55/62/76/496556276.db2.gz LSLMKDJNVBLLMQ-UHFFFAOYSA-N 1 2 368.437 3.085 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000175841162 496568635 /nfs/dbraw/zinc/56/86/35/496568635.db2.gz OYYIRHMWXWMVHE-AWEZNQCLSA-N 1 2 357.414 3.161 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000185012030 496621240 /nfs/dbraw/zinc/62/12/40/496621240.db2.gz XZUVPLFAGJKKJG-CYBMUJFWSA-N 1 2 374.416 3.395 20 5 FGBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000158082228 496622971 /nfs/dbraw/zinc/62/29/71/496622971.db2.gz YMQHAAPORKUOST-CYBMUJFWSA-N 1 2 368.368 3.340 20 5 FGBDLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000185035783 496632132 /nfs/dbraw/zinc/63/21/32/496632132.db2.gz QYMADKOEDRVBFS-QGZVFWFLSA-N 1 2 359.813 3.358 20 5 FGBDLO CSc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000188137202 496697466 /nfs/dbraw/zinc/69/74/66/496697466.db2.gz TZGNGZWTOIEPAZ-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185275573 496722799 /nfs/dbraw/zinc/72/27/99/496722799.db2.gz HOMKQUVEIFWAJW-WBMJQRKESA-N 1 2 360.414 3.410 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000191461467 496771139 /nfs/dbraw/zinc/77/11/39/496771139.db2.gz YUYOFTZRFBLTEY-UHFFFAOYSA-N 1 2 368.397 3.140 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000273396502 496793207 /nfs/dbraw/zinc/79/32/07/496793207.db2.gz LEIUCLBWBWCVSP-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000273396502 496793212 /nfs/dbraw/zinc/79/32/12/496793212.db2.gz LEIUCLBWBWCVSP-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191651718 496846796 /nfs/dbraw/zinc/84/67/96/496846796.db2.gz JGQKCDNDBUQNQX-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000273811849 496916012 /nfs/dbraw/zinc/91/60/12/496916012.db2.gz DJBTWTXSUJRPMF-SUMWQHHRSA-N 1 2 374.416 3.318 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000247800449 496916278 /nfs/dbraw/zinc/91/62/78/496916278.db2.gz UVSQVQCJNCIBJH-IAGOWNOFSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000247800449 496916280 /nfs/dbraw/zinc/91/62/80/496916280.db2.gz UVSQVQCJNCIBJH-IAGOWNOFSA-N 1 2 361.348 3.048 20 5 FGBDLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000273817858 496919075 /nfs/dbraw/zinc/91/90/75/496919075.db2.gz CHBJEEMBJKMEOJ-UHFFFAOYSA-N 1 2 360.389 3.025 20 5 FGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000269325342 496920121 /nfs/dbraw/zinc/92/01/21/496920121.db2.gz CUFDVYJHYZFBGJ-UHFFFAOYSA-N 1 2 368.397 3.308 20 5 FGBDLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000191897424 496923863 /nfs/dbraw/zinc/92/38/63/496923863.db2.gz XTQVNAKBKVYYAP-UHFFFAOYSA-N 1 2 359.411 3.062 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](CC2CC2)CC1 ZINC000278003864 496967918 /nfs/dbraw/zinc/96/79/18/496967918.db2.gz XVMDLBGDLBWBIK-UHFFFAOYSA-N 1 2 361.445 3.261 20 5 FGBDLO Cc1c(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000269672439 496987006 /nfs/dbraw/zinc/98/70/06/496987006.db2.gz ZHINZSVWMXRQCB-UHFFFAOYSA-N 1 2 368.437 3.147 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000192503435 497134509 /nfs/dbraw/zinc/13/45/09/497134509.db2.gz HDKDZCMZKMMNSL-UHFFFAOYSA-N 1 2 358.446 3.363 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000245452418 497414611 /nfs/dbraw/zinc/41/46/11/497414611.db2.gz QHTVAWQZBDGDJN-ZYHUDNBSSA-N 1 2 357.863 3.403 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000245452418 497414614 /nfs/dbraw/zinc/41/46/14/497414614.db2.gz QHTVAWQZBDGDJN-ZYHUDNBSSA-N 1 2 357.863 3.403 20 5 FGBDLO COc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])cc1F ZINC000575022003 505906613 /nfs/dbraw/zinc/90/66/13/505906613.db2.gz VIROOKHWUXTSOV-UHFFFAOYSA-N 1 2 360.341 3.116 20 5 FGBDLO COc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])cc1F ZINC000575022003 505906614 /nfs/dbraw/zinc/90/66/14/505906614.db2.gz VIROOKHWUXTSOV-UHFFFAOYSA-N 1 2 360.341 3.116 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000245750900 497528534 /nfs/dbraw/zinc/52/85/34/497528534.db2.gz HCXVMDYYRYQGQA-MOPGFXCFSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000245750900 497528536 /nfs/dbraw/zinc/52/85/36/497528536.db2.gz HCXVMDYYRYQGQA-MOPGFXCFSA-N 1 2 358.394 3.235 20 5 FGBDLO CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000272175651 497557127 /nfs/dbraw/zinc/55/71/27/497557127.db2.gz DWRKDVOEYHEJLQ-HZPDHXFCSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272404353 497619217 /nfs/dbraw/zinc/61/92/17/497619217.db2.gz ZLFMAAUBKXYGDE-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272404353 497619220 /nfs/dbraw/zinc/61/92/20/497619220.db2.gz ZLFMAAUBKXYGDE-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000267802109 497620382 /nfs/dbraw/zinc/62/03/82/497620382.db2.gz KXEGXUAXOWRWHA-HUUCEWRRSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000267802109 497620387 /nfs/dbraw/zinc/62/03/87/497620387.db2.gz KXEGXUAXOWRWHA-HUUCEWRRSA-N 1 2 360.863 3.036 20 5 FGBDLO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246381771 497714650 /nfs/dbraw/zinc/71/46/50/497714650.db2.gz MWSMHNNGCZJQNI-CHWSQXEVSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246381771 497714656 /nfs/dbraw/zinc/71/46/56/497714656.db2.gz MWSMHNNGCZJQNI-CHWSQXEVSA-N 1 2 369.849 3.324 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000268347006 497730620 /nfs/dbraw/zinc/73/06/20/497730620.db2.gz BZKOOTALBVCLAI-DOMZBBRYSA-N 1 2 354.366 3.261 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000575121027 505925661 /nfs/dbraw/zinc/92/56/61/505925661.db2.gz YMWUUBMMVAZKMS-STQMWFEESA-N 1 2 358.398 3.349 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000575121027 505925663 /nfs/dbraw/zinc/92/56/63/505925663.db2.gz YMWUUBMMVAZKMS-STQMWFEESA-N 1 2 358.398 3.349 20 5 FGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299653044 497882271 /nfs/dbraw/zinc/88/22/71/497882271.db2.gz LHRKFJINZAURMA-INIZCTEOSA-N 1 2 353.382 3.026 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@](F)(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569475106 505944640 /nfs/dbraw/zinc/94/46/40/505944640.db2.gz BYNXHNAIXSTMSJ-FQEVSTJZSA-N 1 2 369.396 3.055 20 5 FGBDLO O=C(C[N@H+]1CC[C@@](F)(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569475106 505944641 /nfs/dbraw/zinc/94/46/41/505944641.db2.gz BYNXHNAIXSTMSJ-FQEVSTJZSA-N 1 2 369.396 3.055 20 5 FGBDLO Cc1cc(NCCCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301170730 497982870 /nfs/dbraw/zinc/98/28/70/497982870.db2.gz JYKXGNLWFRGDDW-UHFFFAOYSA-N 1 2 352.398 3.138 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000301171475 497983339 /nfs/dbraw/zinc/98/33/39/497983339.db2.gz DRMHMMVJXGCRMX-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317003 498102081 /nfs/dbraw/zinc/10/20/81/498102081.db2.gz IMSNMFDFGBAVDR-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317003 498102087 /nfs/dbraw/zinc/10/20/87/498102087.db2.gz IMSNMFDFGBAVDR-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281327413 498107263 /nfs/dbraw/zinc/10/72/63/498107263.db2.gz JDFRQSRXBUUTAH-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281327413 498107266 /nfs/dbraw/zinc/10/72/66/498107266.db2.gz JDFRQSRXBUUTAH-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO COC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCCC1 ZINC000351102895 498179169 /nfs/dbraw/zinc/17/91/69/498179169.db2.gz YAYIHUXGFPZACR-UHFFFAOYSA-N 1 2 355.354 3.246 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544037 498187897 /nfs/dbraw/zinc/18/78/97/498187897.db2.gz XBKZLYHBRURGTG-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544037 498187900 /nfs/dbraw/zinc/18/79/00/498187900.db2.gz XBKZLYHBRURGTG-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942696 498221461 /nfs/dbraw/zinc/22/14/61/498221461.db2.gz GNTDIMUHBXMRJX-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942696 498221465 /nfs/dbraw/zinc/22/14/65/498221465.db2.gz GNTDIMUHBXMRJX-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301725236 498240202 /nfs/dbraw/zinc/24/02/02/498240202.db2.gz PKEMGRGLODMZSQ-WBVHZDCISA-N 1 2 354.410 3.366 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301808255 498273592 /nfs/dbraw/zinc/27/35/92/498273592.db2.gz WYPWBJHSPDSGRI-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000365079178 498287383 /nfs/dbraw/zinc/28/73/83/498287383.db2.gz TVZVXRXWCYBZLR-UHFFFAOYSA-N 1 2 371.368 3.249 20 5 FGBDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000365079178 498287386 /nfs/dbraw/zinc/28/73/86/498287386.db2.gz TVZVXRXWCYBZLR-UHFFFAOYSA-N 1 2 371.368 3.249 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000572629032 506015866 /nfs/dbraw/zinc/01/58/66/506015866.db2.gz BFALEEJDJGXMBU-UGSOOPFHSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000572629032 506015867 /nfs/dbraw/zinc/01/58/67/506015867.db2.gz BFALEEJDJGXMBU-UGSOOPFHSA-N 1 2 354.410 3.320 20 5 FGBDLO CC(=O)c1ccc(N(C)C2CC[NH+](Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1 ZINC000361813759 498435402 /nfs/dbraw/zinc/43/54/02/498435402.db2.gz LDGLYJOPAYHVJY-UHFFFAOYSA-N 1 2 372.425 3.195 20 5 FGBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000332120997 498568396 /nfs/dbraw/zinc/56/83/96/498568396.db2.gz HOGBTLGKKXCGBL-LLVKDONJSA-N 1 2 365.231 3.001 20 5 FGBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000332120997 498568399 /nfs/dbraw/zinc/56/83/99/498568399.db2.gz HOGBTLGKKXCGBL-LLVKDONJSA-N 1 2 365.231 3.001 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(n2cc[nH+]c2)CC1 ZINC000365658632 498583143 /nfs/dbraw/zinc/58/31/43/498583143.db2.gz FLALCTRUXVRCEE-UHFFFAOYSA-N 1 2 372.428 3.355 20 5 FGBDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000287217167 498675894 /nfs/dbraw/zinc/67/58/94/498675894.db2.gz FHDNVNZUVNBJCD-CQSZACIVSA-N 1 2 355.442 3.463 20 5 FGBDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000287217167 498675886 /nfs/dbraw/zinc/67/58/86/498675886.db2.gz FHDNVNZUVNBJCD-CQSZACIVSA-N 1 2 355.442 3.463 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000288099582 498944978 /nfs/dbraw/zinc/94/49/78/498944978.db2.gz JQGKJTWTXMIMRD-AWEZNQCLSA-N 1 2 358.377 3.194 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366560833 498978295 /nfs/dbraw/zinc/97/82/95/498978295.db2.gz MRTFUUDLFAAPHR-UHFFFAOYSA-N 1 2 365.393 3.125 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295604095 499061459 /nfs/dbraw/zinc/06/14/59/499061459.db2.gz XNYHCVUQVUFVRG-DGCLKSJQSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295604095 499061462 /nfs/dbraw/zinc/06/14/62/499061462.db2.gz XNYHCVUQVUFVRG-DGCLKSJQSA-N 1 2 369.849 3.058 20 5 FGBDLO Cc1cc(C=C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)no1 ZINC000368567698 499308159 /nfs/dbraw/zinc/30/81/59/499308159.db2.gz WZIXPWRIKAERRW-UHFFFAOYSA-N 1 2 371.393 3.437 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000371829896 499369662 /nfs/dbraw/zinc/36/96/62/499369662.db2.gz WMLGHKDNBGZXII-QSOAKEGCSA-N 1 2 354.410 3.197 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000369361012 499395610 /nfs/dbraw/zinc/39/56/10/499395610.db2.gz ZVIKCZSXHRIQNI-LBPRGKRZSA-N 1 2 360.439 3.070 20 5 FGBDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C1CCC1 ZINC000372184199 499406390 /nfs/dbraw/zinc/40/63/90/499406390.db2.gz CLAGVXHMUCSCEI-CYBMUJFWSA-N 1 2 371.359 3.104 20 5 FGBDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C1CCC1 ZINC000372184199 499406391 /nfs/dbraw/zinc/40/63/91/499406391.db2.gz CLAGVXHMUCSCEI-CYBMUJFWSA-N 1 2 371.359 3.104 20 5 FGBDLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000375314680 499506608 /nfs/dbraw/zinc/50/66/08/499506608.db2.gz VGFHJULZGLZIOH-UHFFFAOYSA-N 1 2 364.361 3.409 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000375639426 499540171 /nfs/dbraw/zinc/54/01/71/499540171.db2.gz BNMCWHPXXOUSPA-HNNXBMFYSA-N 1 2 361.442 3.029 20 5 FGBDLO Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000375656207 499541748 /nfs/dbraw/zinc/54/17/48/499541748.db2.gz GSANIIWHHUCJBR-GOSISDBHSA-N 1 2 367.409 3.125 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000376026515 499577110 /nfs/dbraw/zinc/57/71/10/499577110.db2.gz RTUYILUDPKIWHD-HNNXBMFYSA-N 1 2 370.453 3.247 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC2 ZINC000376026515 499577111 /nfs/dbraw/zinc/57/71/11/499577111.db2.gz RTUYILUDPKIWHD-HNNXBMFYSA-N 1 2 370.453 3.247 20 5 FGBDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000409643134 499611477 /nfs/dbraw/zinc/61/14/77/499611477.db2.gz GHZJCOTYYFDWKA-ZDUSSCGKSA-N 1 2 362.455 3.161 20 5 FGBDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000409643134 499611479 /nfs/dbraw/zinc/61/14/79/499611479.db2.gz GHZJCOTYYFDWKA-ZDUSSCGKSA-N 1 2 362.455 3.161 20 5 FGBDLO CCCCNC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413099988 499913738 /nfs/dbraw/zinc/91/37/38/499913738.db2.gz GZOMLSFMMNNFCX-OAHLLOKOSA-N 1 2 356.426 3.276 20 5 FGBDLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000428970509 499971380 /nfs/dbraw/zinc/97/13/80/499971380.db2.gz YMVOHKZSAFPUGJ-CYBMUJFWSA-N 1 2 357.414 3.030 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429150152 500013572 /nfs/dbraw/zinc/01/35/72/500013572.db2.gz HXNVGCJSRVKLCJ-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429150152 500013573 /nfs/dbraw/zinc/01/35/73/500013573.db2.gz HXNVGCJSRVKLCJ-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cn1cc[nH+]c1[C@H](N[C@@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417371471 500052173 /nfs/dbraw/zinc/05/21/73/500052173.db2.gz VOWYRRGAUJYJGV-RTBURBONSA-N 1 2 364.405 3.279 20 5 FGBDLO COc1cc(C[N@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429410929 500072117 /nfs/dbraw/zinc/07/21/17/500072117.db2.gz SCVMVLIZZHIISG-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1cc(C[N@@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429410929 500072121 /nfs/dbraw/zinc/07/21/21/500072121.db2.gz SCVMVLIZZHIISG-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429859196 500157069 /nfs/dbraw/zinc/15/70/69/500157069.db2.gz ILFKCLCJAATXNX-UHFFFAOYSA-N 1 2 367.449 3.217 20 5 FGBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc(N2CCCC2)n1 ZINC000430134395 500197993 /nfs/dbraw/zinc/19/79/93/500197993.db2.gz CPMLCDMDWRGYNY-UHFFFAOYSA-N 1 2 361.833 3.237 20 5 FGBDLO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000426837582 500326972 /nfs/dbraw/zinc/32/69/72/500326972.db2.gz XMWAISJVONQPKS-ZDUSSCGKSA-N 1 2 373.409 3.244 20 5 FGBDLO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000426837582 500326976 /nfs/dbraw/zinc/32/69/76/500326976.db2.gz XMWAISJVONQPKS-ZDUSSCGKSA-N 1 2 373.409 3.244 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428863517 500567534 /nfs/dbraw/zinc/56/75/34/500567534.db2.gz YAYALOZTGOUQFY-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428863517 500567536 /nfs/dbraw/zinc/56/75/36/500567536.db2.gz YAYALOZTGOUQFY-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO Cc1ccccc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447798850 500664239 /nfs/dbraw/zinc/66/42/39/500664239.db2.gz BPHSQNXZASJYPS-UHFFFAOYSA-N 1 2 355.438 3.390 20 5 FGBDLO Cc1cc(N2CCCC[C@@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447811618 500667592 /nfs/dbraw/zinc/66/75/92/500667592.db2.gz OFOABABUNMVTMC-RHSMWYFYSA-N 1 2 356.426 3.490 20 5 FGBDLO Cc1ccccc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812970 500668369 /nfs/dbraw/zinc/66/83/69/500668369.db2.gz UJKNEUIYAWIXOZ-UHFFFAOYSA-N 1 2 355.438 3.372 20 5 FGBDLO CC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443129855 500685403 /nfs/dbraw/zinc/68/54/03/500685403.db2.gz HPTHDYVNBXKZAR-LLVKDONJSA-N 1 2 352.778 3.008 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579298 506220358 /nfs/dbraw/zinc/22/03/58/506220358.db2.gz VERLIMBSVXNPEL-GWCFXTLKSA-N 1 2 368.340 3.409 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579298 506220362 /nfs/dbraw/zinc/22/03/62/506220362.db2.gz VERLIMBSVXNPEL-GWCFXTLKSA-N 1 2 368.340 3.409 20 5 FGBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000444537784 500857043 /nfs/dbraw/zinc/85/70/43/500857043.db2.gz AAKNHFRFNMINQR-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(N4CCCC4)[nH+]c3)CC2)cn1 ZINC000602575972 506222288 /nfs/dbraw/zinc/22/22/88/506222288.db2.gz ZJQLWIHTZAPCBU-UHFFFAOYSA-N 1 2 368.441 3.066 20 5 FGBDLO CC1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000434698209 500881620 /nfs/dbraw/zinc/88/16/20/500881620.db2.gz UNQUANJGDTUHOJ-UHFFFAOYSA-N 1 2 357.863 3.404 20 5 FGBDLO CC1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000434698209 500881622 /nfs/dbraw/zinc/88/16/22/500881622.db2.gz UNQUANJGDTUHOJ-UHFFFAOYSA-N 1 2 357.863 3.404 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000439891860 500951354 /nfs/dbraw/zinc/95/13/54/500951354.db2.gz QJJBOKCZJBMMGH-UHFFFAOYSA-N 1 2 369.381 3.271 20 5 FGBDLO COC(=O)c1cc(NCc2cn3ccc(C)cc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000440739606 501044778 /nfs/dbraw/zinc/04/47/78/501044778.db2.gz JQTACNGXPFJFBK-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000436158186 501080589 /nfs/dbraw/zinc/08/05/89/501080589.db2.gz CKTBVNVGCNACBF-QMTHXVAHSA-N 1 2 370.331 3.487 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441101583 501088529 /nfs/dbraw/zinc/08/85/29/501088529.db2.gz KOBXMCCHEJFITJ-OAHLLOKOSA-N 1 2 358.369 3.396 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441101583 501088531 /nfs/dbraw/zinc/08/85/31/501088531.db2.gz KOBXMCCHEJFITJ-OAHLLOKOSA-N 1 2 358.369 3.396 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3ccco3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596062717 506234600 /nfs/dbraw/zinc/23/46/00/506234600.db2.gz LPVYKRNBHOLZAS-UHFFFAOYSA-N 1 2 351.790 3.172 20 5 FGBDLO CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449887906 501118018 /nfs/dbraw/zinc/11/80/18/501118018.db2.gz NRGYVWMEFHTKNN-ZIAGYGMSSA-N 1 2 360.439 3.185 20 5 FGBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000598943260 506237062 /nfs/dbraw/zinc/23/70/62/506237062.db2.gz FLLRFTSLMDEAKD-LBPRGKRZSA-N 1 2 372.450 3.181 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1cccc(F)c1 ZINC000446734103 501158799 /nfs/dbraw/zinc/15/87/99/501158799.db2.gz CBUSOQNZVLWGPL-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1cccc(F)c1 ZINC000446734103 501158803 /nfs/dbraw/zinc/15/88/03/501158803.db2.gz CBUSOQNZVLWGPL-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(C(F)(F)F)s3)nc2c1 ZINC000446847343 501173479 /nfs/dbraw/zinc/17/34/79/501173479.db2.gz LLDRVTSNPZZFBC-UHFFFAOYSA-N 1 2 357.317 3.236 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cc1F ZINC000446886639 501177416 /nfs/dbraw/zinc/17/74/16/501177416.db2.gz HXINSUDIBPJFRE-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000450751142 501200823 /nfs/dbraw/zinc/20/08/23/501200823.db2.gz DGERDGUHPINJRF-MRXNPFEDSA-N 1 2 353.426 3.369 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000450751142 501200828 /nfs/dbraw/zinc/20/08/28/501200828.db2.gz DGERDGUHPINJRF-MRXNPFEDSA-N 1 2 353.426 3.369 20 5 FGBDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450182518 501202790 /nfs/dbraw/zinc/20/27/90/501202790.db2.gz DHJYOBCIJIPUMW-SNVBAGLBSA-N 1 2 368.315 3.118 20 5 FGBDLO COC(=O)Cc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000450233586 501215585 /nfs/dbraw/zinc/21/55/85/501215585.db2.gz NZVBDFQTVGIPRU-UHFFFAOYSA-N 1 2 368.393 3.231 20 5 FGBDLO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867465 501224098 /nfs/dbraw/zinc/22/40/98/501224098.db2.gz CPEYCDGUGLBIDM-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867465 501224100 /nfs/dbraw/zinc/22/41/00/501224100.db2.gz CPEYCDGUGLBIDM-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450310028 501230821 /nfs/dbraw/zinc/23/08/21/501230821.db2.gz WDLWGULTAWPFSM-PBHICJAKSA-N 1 2 372.425 3.104 20 5 FGBDLO CNc1nc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000455262141 501258161 /nfs/dbraw/zinc/25/81/61/501258161.db2.gz VJMHNSNLMCUSES-UHFFFAOYSA-N 1 2 366.381 3.428 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455459058 501308244 /nfs/dbraw/zinc/30/82/44/501308244.db2.gz AUKBYRHFBGVSPD-GOEBONIOSA-N 1 2 371.441 3.461 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@H]2CC(=O)N(CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453375555 501321475 /nfs/dbraw/zinc/32/14/75/501321475.db2.gz XDSVODHGKYAVSE-LIRRHRJNSA-N 1 2 357.410 3.050 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000602665071 506251537 /nfs/dbraw/zinc/25/15/37/506251537.db2.gz YUMGXSQVYLYLKG-UHFFFAOYSA-N 1 2 369.343 3.393 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000602665071 506251547 /nfs/dbraw/zinc/25/15/47/506251547.db2.gz YUMGXSQVYLYLKG-UHFFFAOYSA-N 1 2 369.343 3.393 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CSc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000452454036 501504289 /nfs/dbraw/zinc/50/42/89/501504289.db2.gz SDLGLKQBHLLGCG-HNNXBMFYSA-N 1 2 360.439 3.030 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)c1 ZINC000602677679 506258379 /nfs/dbraw/zinc/25/83/79/506258379.db2.gz RGGLKWKSCIORCY-JTQLQIEISA-N 1 2 371.260 3.371 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)c1 ZINC000602677679 506258383 /nfs/dbraw/zinc/25/83/83/506258383.db2.gz RGGLKWKSCIORCY-JTQLQIEISA-N 1 2 371.260 3.371 20 5 FGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000452752423 501556660 /nfs/dbraw/zinc/55/66/60/501556660.db2.gz IEDMMFVQCMLOHU-UHFFFAOYSA-N 1 2 364.789 3.189 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454547585 501574973 /nfs/dbraw/zinc/57/49/73/501574973.db2.gz IHCVPANHXGTPLI-CJNGLKHVSA-N 1 2 357.414 3.119 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2[nH+]ccn21 ZINC000459118017 501597392 /nfs/dbraw/zinc/59/73/92/501597392.db2.gz PNZOIVNVIBHVHO-WBMJQRKESA-N 1 2 355.398 3.171 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2[nH+]ccn21 ZINC000459124100 501598386 /nfs/dbraw/zinc/59/83/86/501598386.db2.gz UWDFEQUEJNZARR-IUODEOHRSA-N 1 2 355.398 3.171 20 5 FGBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1[nH]cc[nH+]1 ZINC000477752167 501776776 /nfs/dbraw/zinc/77/67/76/501776776.db2.gz SHBLWEURGVLVNM-CQSZACIVSA-N 1 2 353.382 3.277 20 5 FGBDLO COC(=O)c1c(Cl)c(NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000596144454 506278651 /nfs/dbraw/zinc/27/86/51/506278651.db2.gz DZUWMLMYYSJLGB-UHFFFAOYSA-N 1 2 366.805 3.499 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000460815432 501927372 /nfs/dbraw/zinc/92/73/72/501927372.db2.gz MLOKRVZOHBWOFQ-UHFFFAOYSA-N 1 2 363.377 3.469 20 5 FGBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cn(-c2ccccc2)nn1 ZINC000478387094 501962587 /nfs/dbraw/zinc/96/25/87/501962587.db2.gz RVLOTMAPFFFKCV-UHFFFAOYSA-N 1 2 355.373 3.340 20 5 FGBDLO CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000464357575 501966101 /nfs/dbraw/zinc/96/61/01/501966101.db2.gz UIFKFRBVFCGMDZ-DLBZAZTESA-N 1 2 372.425 3.102 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2c(C)nc3sccn23)c([N+](=O)[O-])cc1F ZINC000464689954 502064549 /nfs/dbraw/zinc/06/45/49/502064549.db2.gz PRMXBQCRHPKMPS-UHFFFAOYSA-N 1 2 364.402 3.392 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2c(C)nc3sccn23)c([N+](=O)[O-])cc1F ZINC000464689954 502064552 /nfs/dbraw/zinc/06/45/52/502064552.db2.gz PRMXBQCRHPKMPS-UHFFFAOYSA-N 1 2 364.402 3.392 20 5 FGBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000461374382 502086334 /nfs/dbraw/zinc/08/63/34/502086334.db2.gz GABKYFOBASPTIL-LBPRGKRZSA-N 1 2 362.817 3.095 20 5 FGBDLO Cc1nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c(Br)c(C)[nH+]1 ZINC000596183919 506297578 /nfs/dbraw/zinc/29/75/78/506297578.db2.gz AILIJXKJNUZWHX-QMMMGPOBSA-N 1 2 351.204 3.359 20 5 FGBDLO Cc1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])ccc1F ZINC000472363733 502329912 /nfs/dbraw/zinc/32/99/12/502329912.db2.gz CHJKPISXSMIQPY-UHFFFAOYSA-N 1 2 359.401 3.487 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000483781812 502490748 /nfs/dbraw/zinc/49/07/48/502490748.db2.gz FZIKBIKFRACMOE-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000462757767 502559058 /nfs/dbraw/zinc/55/90/58/502559058.db2.gz TZDBMHWQHUMUKW-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000602842246 506323172 /nfs/dbraw/zinc/32/31/72/506323172.db2.gz RDHJZZLKBNCKTP-JTQLQIEISA-N 1 2 362.821 3.322 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000602842246 506323176 /nfs/dbraw/zinc/32/31/76/506323176.db2.gz RDHJZZLKBNCKTP-JTQLQIEISA-N 1 2 362.821 3.322 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000473507388 502614957 /nfs/dbraw/zinc/61/49/57/502614957.db2.gz KNEIMSCXBVTHAR-UHFFFAOYSA-N 1 2 353.769 3.478 20 5 FGBDLO Cc1cc(NC[C@H](CCO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467008985 502756382 /nfs/dbraw/zinc/75/63/82/502756382.db2.gz HPLNXLOIWAMXNY-OAHLLOKOSA-N 1 2 358.442 3.239 20 5 FGBDLO CCc1cc(NC[C@@H](CCO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467011427 502757332 /nfs/dbraw/zinc/75/73/32/502757332.db2.gz XNQGNJVCGRUVCC-HNNXBMFYSA-N 1 2 372.469 3.493 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500574300 502817649 /nfs/dbraw/zinc/81/76/49/502817649.db2.gz WCTDEGVJVJGJTR-GOSISDBHSA-N 1 2 362.813 3.445 20 5 FGBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccc2[nH+]1 ZINC000489051913 502869356 /nfs/dbraw/zinc/86/93/56/502869356.db2.gz IKOKYERRJUPEMQ-UHFFFAOYSA-N 1 2 362.292 3.405 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000505604947 502947087 /nfs/dbraw/zinc/94/70/87/502947087.db2.gz FLQDWXQNLPAUQB-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1scnc1C ZINC000489467015 502965928 /nfs/dbraw/zinc/96/59/28/502965928.db2.gz CAQDNONRMIDPFM-UHFFFAOYSA-N 1 2 365.455 3.407 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1scnc1C ZINC000489467015 502965929 /nfs/dbraw/zinc/96/59/29/502965929.db2.gz CAQDNONRMIDPFM-UHFFFAOYSA-N 1 2 365.455 3.407 20 5 FGBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000501434574 503009687 /nfs/dbraw/zinc/00/96/87/503009687.db2.gz LJACQKNBMPHHOK-LLVKDONJSA-N 1 2 365.231 3.001 20 5 FGBDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000501434574 503009689 /nfs/dbraw/zinc/00/96/89/503009689.db2.gz LJACQKNBMPHHOK-LLVKDONJSA-N 1 2 365.231 3.001 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000490035741 503095413 /nfs/dbraw/zinc/09/54/13/503095413.db2.gz UOJZAOUPDRMWRZ-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000490035741 503095415 /nfs/dbraw/zinc/09/54/15/503095415.db2.gz UOJZAOUPDRMWRZ-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000514191849 503109081 /nfs/dbraw/zinc/10/90/81/503109081.db2.gz CNYWGMCVDRGERC-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO Cc1c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000593040744 506353661 /nfs/dbraw/zinc/35/36/61/506353661.db2.gz LFXXPACYFLZADZ-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1c(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000593040744 506353665 /nfs/dbraw/zinc/35/36/65/506353665.db2.gz LFXXPACYFLZADZ-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cccc1[N+](=O)[O-] ZINC000588845386 506356071 /nfs/dbraw/zinc/35/60/71/506356071.db2.gz ABKNWXMBMGCENJ-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1C1CC1 ZINC000510782282 503192024 /nfs/dbraw/zinc/19/20/24/503192024.db2.gz VVRJTZOMMCTZHO-UHFFFAOYSA-N 1 2 365.393 3.221 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1c(F)cccc1F ZINC000490841069 503235428 /nfs/dbraw/zinc/23/54/28/503235428.db2.gz HRWPRJKISYAYTC-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1c(F)cccc1F ZINC000490841069 503235433 /nfs/dbraw/zinc/23/54/33/503235433.db2.gz HRWPRJKISYAYTC-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000515418535 503334978 /nfs/dbraw/zinc/33/49/78/503334978.db2.gz UTRKXRXRSKQNGI-CYBMUJFWSA-N 1 2 368.315 3.228 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649535 503361703 /nfs/dbraw/zinc/36/17/03/503361703.db2.gz QBGYYRXCAVCVCU-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649535 503361709 /nfs/dbraw/zinc/36/17/09/503361709.db2.gz QBGYYRXCAVCVCU-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO Cc1c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000492657136 503379137 /nfs/dbraw/zinc/37/91/37/503379137.db2.gz JJJMIBWJPOJUKF-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO CNc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1[N+](=O)[O-] ZINC000516173331 503462558 /nfs/dbraw/zinc/46/25/58/503462558.db2.gz KYHZYQMWBKXLJF-UHFFFAOYSA-N 1 2 351.366 3.289 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512243726 503496977 /nfs/dbraw/zinc/49/69/77/503496977.db2.gz KTZPKGBGSFSCFE-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512243726 503496982 /nfs/dbraw/zinc/49/69/82/503496982.db2.gz KTZPKGBGSFSCFE-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536660169 503665056 /nfs/dbraw/zinc/66/50/56/503665056.db2.gz DDZQJHZPFSXIIS-DOTOQJQBSA-N 1 2 356.426 3.398 20 5 FGBDLO Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000543207563 503680033 /nfs/dbraw/zinc/68/00/33/503680033.db2.gz AFPOHDLTMRXTKP-HUUCEWRRSA-N 1 2 356.426 3.399 20 5 FGBDLO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1)C1CC1 ZINC000537169254 503825919 /nfs/dbraw/zinc/82/59/19/503825919.db2.gz RQNKAPJQHBCNLL-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO C[N@@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1)C1CC1 ZINC000537169254 503825922 /nfs/dbraw/zinc/82/59/22/503825922.db2.gz RQNKAPJQHBCNLL-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533424316 503839065 /nfs/dbraw/zinc/83/90/65/503839065.db2.gz FCZJDZGGSJCURO-JTQLQIEISA-N 1 2 356.220 3.170 20 5 FGBDLO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533424316 503839066 /nfs/dbraw/zinc/83/90/66/503839066.db2.gz FCZJDZGGSJCURO-JTQLQIEISA-N 1 2 356.220 3.170 20 5 FGBDLO CCc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537822965 504054629 /nfs/dbraw/zinc/05/46/29/504054629.db2.gz MXTBBVWXGVTZSS-UONOGXRCSA-N 1 2 356.426 3.263 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(C2CCCCC2)C1 ZINC000519726503 504317071 /nfs/dbraw/zinc/31/70/71/504317071.db2.gz OFSORNKEIULFSW-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000542012154 504335118 /nfs/dbraw/zinc/33/51/18/504335118.db2.gz NPTFDTAEGDIYGX-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000542012154 504335123 /nfs/dbraw/zinc/33/51/23/504335123.db2.gz NPTFDTAEGDIYGX-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CC2)c2ccccc21 ZINC000548149138 504348555 /nfs/dbraw/zinc/34/85/55/504348555.db2.gz NDFIIRVKCNKRRN-UHFFFAOYSA-N 1 2 360.373 3.473 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000535246393 504380482 /nfs/dbraw/zinc/38/04/82/504380482.db2.gz IINUNJLAHMDWND-UHFFFAOYSA-N 1 2 367.449 3.174 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000535246393 504380488 /nfs/dbraw/zinc/38/04/88/504380488.db2.gz IINUNJLAHMDWND-UHFFFAOYSA-N 1 2 367.449 3.174 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](c3cccnc3)C3CC3)o2)cc1 ZINC000542521610 504523681 /nfs/dbraw/zinc/52/36/81/504523681.db2.gz WAUCOYPRPMSZBE-QGZVFWFLSA-N 1 2 351.366 3.281 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542629315 504558645 /nfs/dbraw/zinc/55/86/45/504558645.db2.gz ZIDDYKCAKXTZAD-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542629315 504558650 /nfs/dbraw/zinc/55/86/50/504558650.db2.gz ZIDDYKCAKXTZAD-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549582615 504854420 /nfs/dbraw/zinc/85/44/20/504854420.db2.gz LMTKNMZODMKJHW-QWHCGFSZSA-N 1 2 373.375 3.221 20 5 FGBDLO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000549717651 504879777 /nfs/dbraw/zinc/87/97/77/504879777.db2.gz INAWINAAYWRTHS-WMZOPIPTSA-N 1 2 361.829 3.489 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000565565483 504923604 /nfs/dbraw/zinc/92/36/04/504923604.db2.gz GASKVRXRRQWVJK-MGPQQGTHSA-N 1 2 371.441 3.291 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000549885488 504924953 /nfs/dbraw/zinc/92/49/53/504924953.db2.gz WBRPACRCLGFDDO-UONOGXRCSA-N 1 2 362.373 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000549885488 504924958 /nfs/dbraw/zinc/92/49/58/504924958.db2.gz WBRPACRCLGFDDO-UONOGXRCSA-N 1 2 362.373 3.320 20 5 FGBDLO Cc1cccc(CCCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[nH+]1 ZINC000553580361 504954950 /nfs/dbraw/zinc/95/49/50/504954950.db2.gz MDEBMZCYRBSKAB-UHFFFAOYSA-N 1 2 356.426 3.481 20 5 FGBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553602481 504959977 /nfs/dbraw/zinc/95/99/77/504959977.db2.gz XSFCILAIXOQBOB-CMPLNLGQSA-N 1 2 360.241 3.201 20 5 FGBDLO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000556908929 505013476 /nfs/dbraw/zinc/01/34/76/505013476.db2.gz MEFMQGFHUKOFTF-KRWDZBQOSA-N 1 2 372.421 3.403 20 5 FGBDLO COC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000556908929 505013479 /nfs/dbraw/zinc/01/34/79/505013479.db2.gz MEFMQGFHUKOFTF-KRWDZBQOSA-N 1 2 372.421 3.403 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000550306128 505017343 /nfs/dbraw/zinc/01/73/43/505017343.db2.gz QVQYTFQLEITTTI-WOPDTQHZSA-N 1 2 360.439 3.386 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000550306128 505017345 /nfs/dbraw/zinc/01/73/45/505017345.db2.gz QVQYTFQLEITTTI-WOPDTQHZSA-N 1 2 360.439 3.386 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000554856026 505283206 /nfs/dbraw/zinc/28/32/06/505283206.db2.gz ZGIWYQSYABUEJM-OAHLLOKOSA-N 1 2 372.322 3.381 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000554856026 505283208 /nfs/dbraw/zinc/28/32/08/505283208.db2.gz ZGIWYQSYABUEJM-OAHLLOKOSA-N 1 2 372.322 3.381 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000566985543 505331285 /nfs/dbraw/zinc/33/12/85/505331285.db2.gz NWOXJWSJOPQIDG-OKILXGFUSA-N 1 2 372.425 3.224 20 5 FGBDLO CCOc1ccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000558486596 505405603 /nfs/dbraw/zinc/40/56/03/505405603.db2.gz UMJZZWFNQAZMAG-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO CCOc1ccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000558486596 505405605 /nfs/dbraw/zinc/40/56/05/505405605.db2.gz UMJZZWFNQAZMAG-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000555427556 505431108 /nfs/dbraw/zinc/43/11/08/505431108.db2.gz ANBUAURUSGREKA-NSHDSACASA-N 1 2 360.254 3.359 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000555427556 505431111 /nfs/dbraw/zinc/43/11/11/505431111.db2.gz ANBUAURUSGREKA-NSHDSACASA-N 1 2 360.254 3.359 20 5 FGBDLO Cc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc(-c2ccncc2)[nH+]1 ZINC000558602977 505435991 /nfs/dbraw/zinc/43/59/91/505435991.db2.gz BEFKXWWDVSDDRB-UHFFFAOYSA-N 1 2 363.377 3.154 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599312447 506407766 /nfs/dbraw/zinc/40/77/66/506407766.db2.gz TYJREUXEVVMMRK-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599312447 506407769 /nfs/dbraw/zinc/40/77/69/506407769.db2.gz TYJREUXEVVMMRK-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589007661 506410409 /nfs/dbraw/zinc/41/04/09/506410409.db2.gz PXBMQBQVTHVHDH-UHFFFAOYSA-N 1 2 353.382 3.452 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)on1 ZINC000589104640 506441782 /nfs/dbraw/zinc/44/17/82/506441782.db2.gz VPHDLOVTIROPKH-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000589186650 506474839 /nfs/dbraw/zinc/47/48/39/506474839.db2.gz KKJSYMVIDASSBF-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)o1 ZINC000589186650 506474842 /nfs/dbraw/zinc/47/48/42/506474842.db2.gz KKJSYMVIDASSBF-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511561 506478977 /nfs/dbraw/zinc/47/89/77/506478977.db2.gz AEFJYHBWVWNZFO-SRVKXCTJSA-N 1 2 371.384 3.154 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000599525545 506486040 /nfs/dbraw/zinc/48/60/40/506486040.db2.gz JUFSRPNVUSZIFR-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000599525545 506486047 /nfs/dbraw/zinc/48/60/47/506486047.db2.gz JUFSRPNVUSZIFR-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000589496753 506568056 /nfs/dbraw/zinc/56/80/56/506568056.db2.gz MTSSAIIDBKVSLJ-AUUYWEPGSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000589496753 506568064 /nfs/dbraw/zinc/56/80/64/506568064.db2.gz MTSSAIIDBKVSLJ-AUUYWEPGSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000589497005 506569312 /nfs/dbraw/zinc/56/93/12/506569312.db2.gz BQCRLCLAJPOFLV-UHFFFAOYSA-N 1 2 374.422 3.031 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000589497005 506569315 /nfs/dbraw/zinc/56/93/15/506569315.db2.gz BQCRLCLAJPOFLV-UHFFFAOYSA-N 1 2 374.422 3.031 20 5 FGBDLO Cc1cc(N[C@@H](C2CC2)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593490280 506649243 /nfs/dbraw/zinc/64/92/43/506649243.db2.gz AEEIHLXFPHVWPP-IBGZPJMESA-N 1 2 368.437 3.399 20 5 FGBDLO Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609173559 506803269 /nfs/dbraw/zinc/80/32/69/506803269.db2.gz KQQJYZURTCZREZ-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCOc3ccc([N+](=O)[O-])cc3C1)O[C@H](C)C2 ZINC000583665943 506901829 /nfs/dbraw/zinc/90/18/29/506901829.db2.gz VOAIRGVWKWBXAZ-CYBMUJFWSA-N 1 2 370.405 3.321 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCOc3ccc([N+](=O)[O-])cc3C1)O[C@H](C)C2 ZINC000583665943 506901836 /nfs/dbraw/zinc/90/18/36/506901836.db2.gz VOAIRGVWKWBXAZ-CYBMUJFWSA-N 1 2 370.405 3.321 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000613229124 506983123 /nfs/dbraw/zinc/98/31/23/506983123.db2.gz WXESHWJFGFMTDV-KRWDZBQOSA-N 1 2 367.449 3.296 20 5 FGBDLO CCc1cc(NC[C@@H](O)CC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609765789 506993639 /nfs/dbraw/zinc/99/36/39/506993639.db2.gz UXVHSNASSRMFTP-INIZCTEOSA-N 1 2 358.442 3.245 20 5 FGBDLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609800458 507007847 /nfs/dbraw/zinc/00/78/47/507007847.db2.gz IEJGFOYGTWLCFO-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609800458 507007851 /nfs/dbraw/zinc/00/78/51/507007851.db2.gz IEJGFOYGTWLCFO-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 ZINC000590913056 507026779 /nfs/dbraw/zinc/02/67/79/507026779.db2.gz GHAHKWCUGBWXKY-UHFFFAOYSA-N 1 2 374.466 3.336 20 5 FGBDLO COc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000613383044 507061541 /nfs/dbraw/zinc/06/15/41/507061541.db2.gz KYISAAYKZLBHEL-UHFFFAOYSA-N 1 2 356.357 3.218 20 5 FGBDLO COC(=O)c1cc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600788202 507120777 /nfs/dbraw/zinc/12/07/77/507120777.db2.gz KNUQUTKEPZDPBZ-IRXDYDNUSA-N 1 2 371.393 3.159 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610304389 507186278 /nfs/dbraw/zinc/18/62/78/507186278.db2.gz XXKNSANTZLZTIG-KRWDZBQOSA-N 1 2 364.405 3.351 20 5 FGBDLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601034972 507237660 /nfs/dbraw/zinc/23/76/60/507237660.db2.gz QZFDOZJFZSCBHP-CQSZACIVSA-N 1 2 354.410 3.146 20 5 FGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C2)c1 ZINC000601187146 507291016 /nfs/dbraw/zinc/29/10/16/507291016.db2.gz PAKBSZFHMSAGBM-SNVBAGLBSA-N 1 2 355.320 3.044 20 5 FGBDLO COc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601240898 507307731 /nfs/dbraw/zinc/30/77/31/507307731.db2.gz PXTONGQEDBTFPX-UHFFFAOYSA-N 1 2 360.439 3.164 20 5 FGBDLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000595069861 507378149 /nfs/dbraw/zinc/37/81/49/507378149.db2.gz SQRNXCKKJCUQJD-LLVKDONJSA-N 1 2 373.438 3.439 20 5 FGBDLO CCOC(=O)Cc1ccc(NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000591900393 507403357 /nfs/dbraw/zinc/40/33/57/507403357.db2.gz CNAMXDIDNSJSRI-UHFFFAOYSA-N 1 2 368.393 3.269 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644524 507531695 /nfs/dbraw/zinc/53/16/95/507531695.db2.gz OPKYJHMOOKUSDR-OAHLLOKOSA-N 1 2 366.826 3.008 20 5 FGBDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254232 507581534 /nfs/dbraw/zinc/58/15/34/507581534.db2.gz ZOSPZGINXDAIMU-UHFFFAOYSA-N 1 2 350.321 3.276 20 5 FGBDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254232 507581546 /nfs/dbraw/zinc/58/15/46/507581546.db2.gz ZOSPZGINXDAIMU-UHFFFAOYSA-N 1 2 350.321 3.276 20 5 FGBDLO CCn1cc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cn1 ZINC000611252478 507582241 /nfs/dbraw/zinc/58/22/41/507582241.db2.gz PXVVEBGVEBYNIB-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cn1 ZINC000611252478 507582245 /nfs/dbraw/zinc/58/22/45/507582245.db2.gz PXVVEBGVEBYNIB-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554730 507736030 /nfs/dbraw/zinc/73/60/30/507736030.db2.gz XCMWHMSRFCTGPW-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554730 507736037 /nfs/dbraw/zinc/73/60/37/507736037.db2.gz XCMWHMSRFCTGPW-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[nH+]c12 ZINC000109444072 700534920 /nfs/dbraw/zinc/53/49/20/700534920.db2.gz XJOCTGLUUYNQDE-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110252287 700540208 /nfs/dbraw/zinc/54/02/08/700540208.db2.gz PMAHDZAWEVHCMR-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000152528206 704965434 /nfs/dbraw/zinc/96/54/34/704965434.db2.gz IQOPUUXSZNZNAY-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159991262 705240278 /nfs/dbraw/zinc/24/02/78/705240278.db2.gz CVSXBJNPZDBDRS-LBPRGKRZSA-N 1 2 361.789 3.044 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174654674 705513142 /nfs/dbraw/zinc/51/31/42/705513142.db2.gz ICXVTFLDFWSYQW-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374773291 713943117 /nfs/dbraw/zinc/94/31/17/713943117.db2.gz CJQHOUMHYLLHDZ-LBPRGKRZSA-N 1 2 351.815 3.096 20 5 FGBDLO Cc1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1Br ZINC000804559853 724528728 /nfs/dbraw/zinc/52/87/28/724528728.db2.gz JURXMEPRSLZWAE-UHFFFAOYSA-N 1 2 353.220 3.389 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747532194 722650000 /nfs/dbraw/zinc/65/00/00/722650000.db2.gz VMRKCXUEENPAOV-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747532194 722650002 /nfs/dbraw/zinc/65/00/02/722650002.db2.gz VMRKCXUEENPAOV-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000751359806 722802932 /nfs/dbraw/zinc/80/29/32/722802932.db2.gz XVLYNBHCFJVNEH-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000764853056 723453467 /nfs/dbraw/zinc/45/34/67/723453467.db2.gz HHTDXOKQGRHXEC-UHFFFAOYSA-N 1 2 365.846 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000764853056 723453469 /nfs/dbraw/zinc/45/34/69/723453469.db2.gz HHTDXOKQGRHXEC-UHFFFAOYSA-N 1 2 365.846 3.204 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796549616 723643254 /nfs/dbraw/zinc/64/32/54/723643254.db2.gz CAUWQGQFMFRIDZ-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796549616 723643255 /nfs/dbraw/zinc/64/32/55/723643255.db2.gz CAUWQGQFMFRIDZ-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815634322 727087995 /nfs/dbraw/zinc/08/79/95/727087995.db2.gz IGYLFGNZBSMCKT-RKDXNWHRSA-N 1 2 366.219 3.141 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471249 730722954 /nfs/dbraw/zinc/72/29/54/730722954.db2.gz OYWGEKOVMWPEPO-YMTOWFKASA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471249 730722958 /nfs/dbraw/zinc/72/29/58/730722958.db2.gz OYWGEKOVMWPEPO-YMTOWFKASA-N 1 2 359.760 3.306 20 5 FGBDLO O=C(CCCn1cc[nH+]c1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000876084301 736057236 /nfs/dbraw/zinc/05/72/36/736057236.db2.gz YCERUPKBFCWHLM-AWEZNQCLSA-N 1 2 357.288 3.418 20 5 FGBDLO C[N@H+](CCOCC1CC1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878186107 736786178 /nfs/dbraw/zinc/78/61/78/736786178.db2.gz NSRAMAJKWINSMK-UHFFFAOYSA-N 1 2 366.805 3.157 20 5 FGBDLO C[N@@H+](CCOCC1CC1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878186107 736786182 /nfs/dbraw/zinc/78/61/82/736786182.db2.gz NSRAMAJKWINSMK-UHFFFAOYSA-N 1 2 366.805 3.157 20 5 FGBDLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000880008978 737099104 /nfs/dbraw/zinc/09/91/04/737099104.db2.gz YZELKWVENPIVGK-ZDUSSCGKSA-N 1 2 360.439 3.096 20 5 FGBDLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000880008978 737099108 /nfs/dbraw/zinc/09/91/08/737099108.db2.gz YZELKWVENPIVGK-ZDUSSCGKSA-N 1 2 360.439 3.096 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2nccs2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880317080 737153788 /nfs/dbraw/zinc/15/37/88/737153788.db2.gz KLVNCBPLKWUJQA-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2nccs2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880317080 737153793 /nfs/dbraw/zinc/15/37/93/737153793.db2.gz KLVNCBPLKWUJQA-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO C[C@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1Br)n1cc[nH+]c1 ZINC000922843897 759013713 /nfs/dbraw/zinc/01/37/13/759013713.db2.gz XAQPRYOZIKTUOM-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)no1 ZINC000931933987 761010155 /nfs/dbraw/zinc/01/01/55/761010155.db2.gz PDKOGUYZIYWCLI-JTQLQIEISA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)no1 ZINC000931933987 761010167 /nfs/dbraw/zinc/01/01/67/761010167.db2.gz PDKOGUYZIYWCLI-JTQLQIEISA-N 1 2 367.203 3.038 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932826441 761255075 /nfs/dbraw/zinc/25/50/75/761255075.db2.gz XWJKIBKPYGOEFA-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000116304786 206100830 /nfs/dbraw/zinc/10/08/30/206100830.db2.gz QSOYILNGWITGNL-HNNXBMFYSA-N 1 2 355.398 3.260 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccccc2)C1 ZINC000057813779 206390016 /nfs/dbraw/zinc/39/00/16/206390016.db2.gz KEWBWWARCNVOMJ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccccc2)C1 ZINC000057813779 206390019 /nfs/dbraw/zinc/39/00/19/206390019.db2.gz KEWBWWARCNVOMJ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000576802583 505598388 /nfs/dbraw/zinc/59/83/88/505598388.db2.gz CSGBXAIZLMIEJG-CQSZACIVSA-N 1 2 356.304 3.241 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000068419724 493815841 /nfs/dbraw/zinc/81/58/41/493815841.db2.gz HTTSGTKQCDWPMW-UHFFFAOYSA-N 1 2 353.382 3.093 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OC ZINC000029910725 493865949 /nfs/dbraw/zinc/86/59/49/493865949.db2.gz KYEQLPVQHCKVTQ-UHFFFAOYSA-N 1 2 368.349 3.050 20 5 FGBDLO CCc1cc(NCCCCC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000069001260 493905440 /nfs/dbraw/zinc/90/54/40/493905440.db2.gz LCXOGRNZIJWDEC-UHFFFAOYSA-N 1 2 358.398 3.369 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050314196 493909083 /nfs/dbraw/zinc/90/90/83/493909083.db2.gz QEKMZEXJDHPHOD-UHFFFAOYSA-N 1 2 369.406 3.432 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000081541333 493912374 /nfs/dbraw/zinc/91/23/74/493912374.db2.gz MVOUSMKAKNPMLO-UHFFFAOYSA-N 1 2 365.393 3.356 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000060060549 493912987 /nfs/dbraw/zinc/91/29/87/493912987.db2.gz FJAPEGIIQMJHNM-UHFFFAOYSA-N 1 2 352.350 3.123 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccsc1 ZINC000031985288 493969649 /nfs/dbraw/zinc/96/96/49/493969649.db2.gz WSUGRVXFXMURJR-HNNXBMFYSA-N 1 2 363.439 3.175 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083174241 494003908 /nfs/dbraw/zinc/00/39/08/494003908.db2.gz PIVAGDYDQJODBA-CQSZACIVSA-N 1 2 367.409 3.010 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000032775396 494015057 /nfs/dbraw/zinc/01/50/57/494015057.db2.gz GILNTIWXGGSWIJ-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000032775396 494015061 /nfs/dbraw/zinc/01/50/61/494015061.db2.gz GILNTIWXGGSWIJ-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000077170824 494025430 /nfs/dbraw/zinc/02/54/30/494025430.db2.gz QXNYOHHRQGSHHB-INIZCTEOSA-N 1 2 358.398 3.097 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000077170824 494025434 /nfs/dbraw/zinc/02/54/34/494025434.db2.gz QXNYOHHRQGSHHB-INIZCTEOSA-N 1 2 358.398 3.097 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000063069501 494026388 /nfs/dbraw/zinc/02/63/88/494026388.db2.gz NWYXEDLQWQLBNL-UHFFFAOYSA-N 1 2 367.409 3.142 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052578545 494041942 /nfs/dbraw/zinc/04/19/42/494041942.db2.gz FYTOMTIDDFKCRT-UHFFFAOYSA-N 1 2 367.449 3.158 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000007788441 494042530 /nfs/dbraw/zinc/04/25/30/494042530.db2.gz NKSBOJJDJDHNRS-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000007788441 494042535 /nfs/dbraw/zinc/04/25/35/494042535.db2.gz NKSBOJJDJDHNRS-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053172474 494100945 /nfs/dbraw/zinc/10/09/45/494100945.db2.gz CFAUDKJLPBBAJP-ZDUSSCGKSA-N 1 2 352.394 3.384 20 5 FGBDLO CC[N@H+](CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009920022 494136119 /nfs/dbraw/zinc/13/61/19/494136119.db2.gz DWPRMUMQETYIMH-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO CC[N@@H+](CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009920022 494136121 /nfs/dbraw/zinc/13/61/21/494136121.db2.gz DWPRMUMQETYIMH-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000077688824 494144934 /nfs/dbraw/zinc/14/49/34/494144934.db2.gz ZTVZHLFIDLOSRZ-WFASDCNBSA-N 1 2 366.377 3.427 20 5 FGBDLO CCc1cc(NCCCN2CCCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064904446 494157549 /nfs/dbraw/zinc/15/75/49/494157549.db2.gz HLNIPERBLCMVML-UHFFFAOYSA-N 1 2 369.425 3.039 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000065152896 494175560 /nfs/dbraw/zinc/17/55/60/494175560.db2.gz OVSXGTHFJXOCLC-UHFFFAOYSA-N 1 2 366.377 3.403 20 5 FGBDLO CCOC(=O)c1ccnc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000077982041 494209453 /nfs/dbraw/zinc/20/94/53/494209453.db2.gz LQJZBSHNMLBRPH-UHFFFAOYSA-N 1 2 354.322 3.145 20 5 FGBDLO CCn1cc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000072948636 494288945 /nfs/dbraw/zinc/28/89/45/494288945.db2.gz JSGYDMIDBXNJPV-UHFFFAOYSA-N 1 2 352.398 3.213 20 5 FGBDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000044589268 494367830 /nfs/dbraw/zinc/36/78/30/494367830.db2.gz SAUOCUVZRFNKMP-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898059 494387436 /nfs/dbraw/zinc/38/74/36/494387436.db2.gz IQGAGJBFYIYQSF-UHFFFAOYSA-N 1 2 361.423 3.268 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898059 494387439 /nfs/dbraw/zinc/38/74/39/494387439.db2.gz IQGAGJBFYIYQSF-UHFFFAOYSA-N 1 2 361.423 3.268 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066849354 494423521 /nfs/dbraw/zinc/42/35/21/494423521.db2.gz GBAQPFNDDQJTBL-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066849354 494423524 /nfs/dbraw/zinc/42/35/24/494423524.db2.gz GBAQPFNDDQJTBL-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000018236282 494430976 /nfs/dbraw/zinc/43/09/76/494430976.db2.gz JDWGXNGCDYBELD-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000018236283 494431164 /nfs/dbraw/zinc/43/11/64/494431164.db2.gz JDWGXNGCDYBELD-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000079453526 494457380 /nfs/dbraw/zinc/45/73/80/494457380.db2.gz JYJLOPNMRURWRI-OAHLLOKOSA-N 1 2 351.366 3.086 20 5 FGBDLO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056386855 494497028 /nfs/dbraw/zinc/49/70/28/494497028.db2.gz ZRCLCZWHKXOXTB-CQSZACIVSA-N 1 2 369.425 3.150 20 5 FGBDLO Cc1c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000056530700 494521890 /nfs/dbraw/zinc/52/18/90/494521890.db2.gz NZJWTIAQIWWRRD-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000046502483 494533006 /nfs/dbraw/zinc/53/30/06/494533006.db2.gz WQPGBAGJZNFFDR-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000046502483 494533010 /nfs/dbraw/zinc/53/30/10/494533010.db2.gz WQPGBAGJZNFFDR-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000067523267 494557953 /nfs/dbraw/zinc/55/79/53/494557953.db2.gz REGIJTYMINCARX-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131345716 494589463 /nfs/dbraw/zinc/58/94/63/494589463.db2.gz KCQVXBXKPUNCKQ-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131345716 494589470 /nfs/dbraw/zinc/58/94/70/494589470.db2.gz KCQVXBXKPUNCKQ-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)cc1OC(F)F ZINC000092623947 494690054 /nfs/dbraw/zinc/69/00/54/494690054.db2.gz GOCBMZPDVOBISB-UHFFFAOYSA-N 1 2 361.308 3.389 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000126327242 494710299 /nfs/dbraw/zinc/71/02/99/494710299.db2.gz KZAGADGJTAOUQF-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041236 494765681 /nfs/dbraw/zinc/76/56/81/494765681.db2.gz QQKJOQTYMNMMOG-FZMZJTMJSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041236 494765689 /nfs/dbraw/zinc/76/56/89/494765689.db2.gz QQKJOQTYMNMMOG-FZMZJTMJSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041237 494766958 /nfs/dbraw/zinc/76/69/58/494766958.db2.gz QQKJOQTYMNMMOG-BXUZGUMPSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041237 494766964 /nfs/dbraw/zinc/76/69/64/494766964.db2.gz QQKJOQTYMNMMOG-BXUZGUMPSA-N 1 2 366.801 3.090 20 5 FGBDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000025751671 494775674 /nfs/dbraw/zinc/77/56/74/494775674.db2.gz NJIUXQNINAIYDZ-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000075681989 494814862 /nfs/dbraw/zinc/81/48/62/494814862.db2.gz USSGBUDGFLTVNY-QGZVFWFLSA-N 1 2 367.449 3.351 20 5 FGBDLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000126701693 494821746 /nfs/dbraw/zinc/82/17/46/494821746.db2.gz OQNBOWBEPQWOBG-UHFFFAOYSA-N 1 2 364.405 3.463 20 5 FGBDLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000126701693 494821751 /nfs/dbraw/zinc/82/17/51/494821751.db2.gz OQNBOWBEPQWOBG-UHFFFAOYSA-N 1 2 364.405 3.463 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1F)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027366122 494865214 /nfs/dbraw/zinc/86/52/14/494865214.db2.gz NPXPYSWSMQNYNM-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027366122 494865219 /nfs/dbraw/zinc/86/52/19/494865219.db2.gz NPXPYSWSMQNYNM-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000109890752 494930213 /nfs/dbraw/zinc/93/02/13/494930213.db2.gz LJXXDEDTUCBMNR-UHFFFAOYSA-N 1 2 368.397 3.272 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119039298 495077943 /nfs/dbraw/zinc/07/79/43/495077943.db2.gz DSMYMHWLYMKPHK-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119039298 495077948 /nfs/dbraw/zinc/07/79/48/495077948.db2.gz DSMYMHWLYMKPHK-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000119104845 495094267 /nfs/dbraw/zinc/09/42/67/495094267.db2.gz MOCPGHBMYZQKJD-LLVKDONJSA-N 1 2 373.365 3.081 20 5 FGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000119104845 495094272 /nfs/dbraw/zinc/09/42/72/495094272.db2.gz MOCPGHBMYZQKJD-LLVKDONJSA-N 1 2 373.365 3.081 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128508969 495108176 /nfs/dbraw/zinc/10/81/76/495108176.db2.gz OJNPECMBIPAVAL-OAHLLOKOSA-N 1 2 365.437 3.350 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000112670111 495220320 /nfs/dbraw/zinc/22/03/20/495220320.db2.gz CFRFUTUIVLUUAD-UHFFFAOYSA-N 1 2 362.817 3.304 20 5 FGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000103455864 495234550 /nfs/dbraw/zinc/23/45/50/495234550.db2.gz WLBXODGLRIOAPB-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO CN(C)C(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135219178 495264091 /nfs/dbraw/zinc/26/40/91/495264091.db2.gz DGLPSQGNFLOLBC-UHFFFAOYSA-N 1 2 353.422 3.461 20 5 FGBDLO CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135219178 495264096 /nfs/dbraw/zinc/26/40/96/495264096.db2.gz DGLPSQGNFLOLBC-UHFFFAOYSA-N 1 2 353.422 3.461 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000120203018 495326295 /nfs/dbraw/zinc/32/62/95/495326295.db2.gz XOJRTXKGPARTDW-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135848422 495338561 /nfs/dbraw/zinc/33/85/61/495338561.db2.gz DZQUXUNFOLZBFG-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120724212 495444369 /nfs/dbraw/zinc/44/43/69/495444369.db2.gz VEAPEGRQFLYKTN-UHFFFAOYSA-N 1 2 369.425 3.166 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000143901123 495539433 /nfs/dbraw/zinc/53/94/33/495539433.db2.gz QTMDRKVLUSSLAF-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)n1 ZINC000176247734 495562472 /nfs/dbraw/zinc/56/24/72/495562472.db2.gz KQDLWEHMNBJYNK-AWEZNQCLSA-N 1 2 352.847 3.235 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)n1 ZINC000176247734 495562477 /nfs/dbraw/zinc/56/24/77/495562477.db2.gz KQDLWEHMNBJYNK-AWEZNQCLSA-N 1 2 352.847 3.235 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000150228572 495608290 /nfs/dbraw/zinc/60/82/90/495608290.db2.gz SABCLQLNRHQVMY-UHFFFAOYSA-N 1 2 366.377 3.227 20 5 FGBDLO CCc1cc(NCC[C@@H](C)[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000154703929 495701801 /nfs/dbraw/zinc/70/18/01/495701801.db2.gz YVWRXNXCUXBAIM-XELLLNAOSA-N 1 2 362.455 3.183 20 5 FGBDLO COc1cc(CNc2[nH+]c3c(cccc3Cl)n2C)cc([N+](=O)[O-])c1O ZINC000185856372 495752894 /nfs/dbraw/zinc/75/28/94/495752894.db2.gz UIZRDNSCEIYGKC-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179982756 495810312 /nfs/dbraw/zinc/81/03/12/495810312.db2.gz PJZZITXESGPSFG-LLVKDONJSA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179982756 495810313 /nfs/dbraw/zinc/81/03/13/495810313.db2.gz PJZZITXESGPSFG-LLVKDONJSA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000176984562 495871077 /nfs/dbraw/zinc/87/10/77/495871077.db2.gz PPIHFGXNPFQZIH-UHFFFAOYSA-N 1 2 368.393 3.067 20 5 FGBDLO COC(=O)c1occc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241077 495877617 /nfs/dbraw/zinc/87/76/17/495877617.db2.gz MEJZVVALJPTZLR-UHFFFAOYSA-N 1 2 360.366 3.018 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000174476037 495976132 /nfs/dbraw/zinc/97/61/32/495976132.db2.gz MJKWMLVCFRGITH-MRXNPFEDSA-N 1 2 362.382 3.094 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1[N+](=O)[O-] ZINC000171680962 495986603 /nfs/dbraw/zinc/98/66/03/495986603.db2.gz BQFZXBNZYBVDHE-UHFFFAOYSA-N 1 2 354.370 3.276 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])cc1OC ZINC000180783492 496144844 /nfs/dbraw/zinc/14/48/44/496144844.db2.gz LSZMHVPZCUHEBA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(C[N@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])cc1OC ZINC000180783492 496144846 /nfs/dbraw/zinc/14/48/46/496144846.db2.gz LSZMHVPZCUHEBA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO Cc1c(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000152432912 496149690 /nfs/dbraw/zinc/14/96/90/496149690.db2.gz ISKPFZIYHIUOAK-CQSZACIVSA-N 1 2 357.414 3.123 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152445895 496153645 /nfs/dbraw/zinc/15/36/45/496153645.db2.gz ZPDKFEMDGXSZNR-HNNXBMFYSA-N 1 2 368.437 3.296 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152445802 496154194 /nfs/dbraw/zinc/15/41/94/496154194.db2.gz ZPDKFEMDGXSZNR-OAHLLOKOSA-N 1 2 368.437 3.296 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])ccc1O ZINC000184200964 496283668 /nfs/dbraw/zinc/28/36/68/496283668.db2.gz XPTRAGDBMMHGDH-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])ccc1O ZINC000184200964 496283674 /nfs/dbraw/zinc/28/36/74/496283674.db2.gz XPTRAGDBMMHGDH-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000172425812 496293394 /nfs/dbraw/zinc/29/33/94/496293394.db2.gz MQBUHUWBAULJFD-UHFFFAOYSA-N 1 2 350.378 3.232 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178058170 496308299 /nfs/dbraw/zinc/30/82/99/496308299.db2.gz DXEXYLXUHIVXSG-UHFFFAOYSA-N 1 2 352.375 3.387 20 5 FGBDLO O=C(C[N@H+](Cc1ccccn1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181315624 496350978 /nfs/dbraw/zinc/35/09/78/496350978.db2.gz JUTKOIBCRVIUOD-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181315624 496350984 /nfs/dbraw/zinc/35/09/84/496350984.db2.gz JUTKOIBCRVIUOD-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C ZINC000178189843 496363275 /nfs/dbraw/zinc/36/32/75/496363275.db2.gz FXBQLXLBFUBWHZ-UHFFFAOYSA-N 1 2 372.406 3.403 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175408708 496378190 /nfs/dbraw/zinc/37/81/90/496378190.db2.gz CSMNOALFJVNTAX-DOTOQJQBSA-N 1 2 372.450 3.281 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153237968 496393184 /nfs/dbraw/zinc/39/31/84/496393184.db2.gz VSUNRTZBENPGRJ-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153237968 496393188 /nfs/dbraw/zinc/39/31/88/496393188.db2.gz VSUNRTZBENPGRJ-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153361651 496430878 /nfs/dbraw/zinc/43/08/78/496430878.db2.gz NTIXEWNWEVIHNT-UHFFFAOYSA-N 1 2 353.422 3.002 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153361651 496430880 /nfs/dbraw/zinc/43/08/80/496430880.db2.gz NTIXEWNWEVIHNT-UHFFFAOYSA-N 1 2 353.422 3.002 20 5 FGBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184752068 496518041 /nfs/dbraw/zinc/51/80/41/496518041.db2.gz DGZYYXZZCUPWNP-ZDUSSCGKSA-N 1 2 367.789 3.065 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000181722100 496518097 /nfs/dbraw/zinc/51/80/97/496518097.db2.gz JBWKRIWNTLMYDP-UHFFFAOYSA-N 1 2 352.272 3.437 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000184810293 496541018 /nfs/dbraw/zinc/54/10/18/496541018.db2.gz FAOOOIINHQHZPP-INIZCTEOSA-N 1 2 356.426 3.177 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000175841144 496568734 /nfs/dbraw/zinc/56/87/34/496568734.db2.gz OYYIRHMWXWMVHE-CQSZACIVSA-N 1 2 357.414 3.161 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000178974648 496632887 /nfs/dbraw/zinc/63/28/87/496632887.db2.gz RNRFYBMGDLORQP-CYBMUJFWSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000178974648 496632889 /nfs/dbraw/zinc/63/28/89/496632889.db2.gz RNRFYBMGDLORQP-CYBMUJFWSA-N 1 2 355.320 3.042 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(C)c1Cl ZINC000165283412 496655223 /nfs/dbraw/zinc/65/52/23/496655223.db2.gz BGXBAQNQQPYZCU-UHFFFAOYSA-N 1 2 355.803 3.315 20 5 FGBDLO O=[N+]([O-])c1cn(Cc2cn3cc(Br)ccc3[nH+]2)nc1C1CC1 ZINC000185171897 496691039 /nfs/dbraw/zinc/69/10/39/496691039.db2.gz BVLKMGHRYMCUJX-UHFFFAOYSA-N 1 2 362.187 3.127 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000158454736 496705878 /nfs/dbraw/zinc/70/58/78/496705878.db2.gz IMKBUPXXBSPBCL-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@]1=O ZINC000277373453 496751744 /nfs/dbraw/zinc/75/17/44/496751744.db2.gz XSHKZCQZZGEUBO-PWECECGKSA-N 1 2 355.459 3.289 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@]1=O ZINC000277373453 496751746 /nfs/dbraw/zinc/75/17/46/496751746.db2.gz XSHKZCQZZGEUBO-PWECECGKSA-N 1 2 355.459 3.289 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195351305 496898861 /nfs/dbraw/zinc/89/88/61/496898861.db2.gz YRIVZAQZFQVVHY-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195351305 496898865 /nfs/dbraw/zinc/89/88/65/496898865.db2.gz YRIVZAQZFQVVHY-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000191904655 496927066 /nfs/dbraw/zinc/92/70/66/496927066.db2.gz BCAYDEOBNTWMIE-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000274338473 497074336 /nfs/dbraw/zinc/07/43/36/497074336.db2.gz YFBUAHZAWGAKPF-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000270958485 497233288 /nfs/dbraw/zinc/23/32/88/497233288.db2.gz YYBJDAZBFVFVNL-YOEHRIQHSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278915853 497265900 /nfs/dbraw/zinc/26/59/00/497265900.db2.gz LFDYQGRCDASDGP-SSDOTTSWSA-N 1 2 374.344 3.020 20 5 FGBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279026460 497307935 /nfs/dbraw/zinc/30/79/35/497307935.db2.gz AWMUAMMEPYSQQZ-UHFFFAOYSA-N 1 2 372.400 3.287 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000190388690 497460491 /nfs/dbraw/zinc/46/04/91/497460491.db2.gz RMCHOLCAXJCKIL-UHFFFAOYSA-N 1 2 354.410 3.076 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000279617665 497487896 /nfs/dbraw/zinc/48/78/96/497487896.db2.gz YAAAZMZSPQHVSQ-QWHCGFSZSA-N 1 2 352.398 3.495 20 5 FGBDLO CC(C)c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000190554755 497526805 /nfs/dbraw/zinc/52/68/05/497526805.db2.gz YYEQRYHYXPTMAR-UHFFFAOYSA-N 1 2 352.394 3.338 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338337 497600293 /nfs/dbraw/zinc/60/02/93/497600293.db2.gz YCMZHSJIUKYOLW-TZMCWYRMSA-N 1 2 372.368 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338337 497600300 /nfs/dbraw/zinc/60/03/00/497600300.db2.gz YCMZHSJIUKYOLW-TZMCWYRMSA-N 1 2 372.368 3.001 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000194223379 497606601 /nfs/dbraw/zinc/60/66/01/497606601.db2.gz AXVRPQKCMPMGFK-UHFFFAOYSA-N 1 2 358.304 3.335 20 5 FGBDLO Cc1ccccc1[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497558 497643522 /nfs/dbraw/zinc/64/35/22/497643522.db2.gz GGRPXRVOYGLRNJ-MOPGFXCFSA-N 1 2 366.421 3.049 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000268347009 497730892 /nfs/dbraw/zinc/73/08/92/497730892.db2.gz BZKOOTALBVCLAI-IUODEOHRSA-N 1 2 354.366 3.261 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194700591 497743859 /nfs/dbraw/zinc/74/38/59/497743859.db2.gz VVONFSDHKCVMSH-ZDUSSCGKSA-N 1 2 365.386 3.057 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194700591 497743864 /nfs/dbraw/zinc/74/38/64/497743864.db2.gz VVONFSDHKCVMSH-ZDUSSCGKSA-N 1 2 365.386 3.057 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299600034 497864355 /nfs/dbraw/zinc/86/43/55/497864355.db2.gz XNUUXFDJAAFQIM-LBPRGKRZSA-N 1 2 360.439 3.205 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000364343697 497909958 /nfs/dbraw/zinc/90/99/58/497909958.db2.gz XJTAELBWPHTHBM-HNNXBMFYSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000364343697 497909967 /nfs/dbraw/zinc/90/99/67/497909967.db2.gz XJTAELBWPHTHBM-HNNXBMFYSA-N 1 2 353.382 3.283 20 5 FGBDLO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280820006 497910717 /nfs/dbraw/zinc/91/07/17/497910717.db2.gz SEJAVWSZNWKCMK-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000301143624 497969855 /nfs/dbraw/zinc/96/98/55/497969855.db2.gz DSLZXWCVGXIDBT-UHFFFAOYSA-N 1 2 355.398 3.434 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000364479488 497978358 /nfs/dbraw/zinc/97/83/58/497978358.db2.gz ZRQAJUXPRLBFRR-CYBMUJFWSA-N 1 2 359.407 3.005 20 5 FGBDLO CCCCNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285067180 497984975 /nfs/dbraw/zinc/98/49/75/497984975.db2.gz DXBRNDQGVJDBRM-UHFFFAOYSA-N 1 2 355.385 3.001 20 5 FGBDLO COc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301360484 498073821 /nfs/dbraw/zinc/07/38/21/498073821.db2.gz NXDCBNWPBXWAIA-HNNXBMFYSA-N 1 2 363.439 3.150 20 5 FGBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)S1 ZINC000301604897 498184541 /nfs/dbraw/zinc/18/45/41/498184541.db2.gz XVQCTLYVPMVYJO-JTQLQIEISA-N 1 2 374.388 3.227 20 5 FGBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)S1 ZINC000301604898 498184580 /nfs/dbraw/zinc/18/45/80/498184580.db2.gz XVQCTLYVPMVYJO-SNVBAGLBSA-N 1 2 374.388 3.227 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1NCCc1cn2ccccc2[nH+]1 ZINC000301701925 498231122 /nfs/dbraw/zinc/23/11/22/498231122.db2.gz TXGDABXAQJBHQA-UHFFFAOYSA-N 1 2 362.187 3.055 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3ncc(Br)cc3[N+](=O)[O-])cn21 ZINC000301710941 498234457 /nfs/dbraw/zinc/23/44/57/498234457.db2.gz XSGFMICQDFBGMK-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000365001983 498249213 /nfs/dbraw/zinc/24/92/13/498249213.db2.gz OBXKIWJEQCYTDK-QGZVFWFLSA-N 1 2 354.410 3.246 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000365001983 498249215 /nfs/dbraw/zinc/24/92/15/498249215.db2.gz OBXKIWJEQCYTDK-QGZVFWFLSA-N 1 2 354.410 3.246 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@H]3CC(F)F)o2)c1 ZINC000286286606 498350909 /nfs/dbraw/zinc/35/09/09/498350909.db2.gz CPFPWMFZEMOBTK-CQSZACIVSA-N 1 2 367.352 3.148 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@H]3CC(F)F)o2)c1 ZINC000286286606 498350912 /nfs/dbraw/zinc/35/09/12/498350912.db2.gz CPFPWMFZEMOBTK-CQSZACIVSA-N 1 2 367.352 3.148 20 5 FGBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000302013146 498368477 /nfs/dbraw/zinc/36/84/77/498368477.db2.gz ZTLOTCBBFSVYIS-UHFFFAOYSA-N 1 2 365.392 3.038 20 5 FGBDLO Cc1cc([NH+](C)C)ccc1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302164777 498423601 /nfs/dbraw/zinc/42/36/01/498423601.db2.gz KPQZAZLVIWMBEX-UHFFFAOYSA-N 1 2 355.441 3.178 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365455808 498474822 /nfs/dbraw/zinc/47/48/22/498474822.db2.gz FBWNXYMQKXNGAE-OAHLLOKOSA-N 1 2 356.426 3.273 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282408979 498500884 /nfs/dbraw/zinc/50/08/84/498500884.db2.gz SMKJRYMVDZLNSD-HNNXBMFYSA-N 1 2 354.410 3.147 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000282509831 498539785 /nfs/dbraw/zinc/53/97/85/498539785.db2.gz RTLYTTPKCMLOMC-UHFFFAOYSA-N 1 2 357.410 3.100 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000282509831 498539792 /nfs/dbraw/zinc/53/97/92/498539792.db2.gz RTLYTTPKCMLOMC-UHFFFAOYSA-N 1 2 357.410 3.100 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1[N+](=O)[O-] ZINC000362808750 498557443 /nfs/dbraw/zinc/55/74/43/498557443.db2.gz YCJSRHPJBRBDTE-UHFFFAOYSA-N 1 2 354.370 3.140 20 5 FGBDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000363013727 498603638 /nfs/dbraw/zinc/60/36/38/498603638.db2.gz DKNVOECMUBEEIZ-OAHLLOKOSA-N 1 2 373.413 3.096 20 5 FGBDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000363013727 498603643 /nfs/dbraw/zinc/60/36/43/498603643.db2.gz DKNVOECMUBEEIZ-OAHLLOKOSA-N 1 2 373.413 3.096 20 5 FGBDLO COC(=O)[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302870620 498608392 /nfs/dbraw/zinc/60/83/92/498608392.db2.gz YJMJKYQPBLWXAM-UONOGXRCSA-N 1 2 356.382 3.114 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000294298878 498649155 /nfs/dbraw/zinc/64/91/55/498649155.db2.gz WWJNIWHIRHXVOM-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000294298878 498649160 /nfs/dbraw/zinc/64/91/60/498649160.db2.gz WWJNIWHIRHXVOM-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000282817082 498666571 /nfs/dbraw/zinc/66/65/71/498666571.db2.gz PPZGZCKWHXFMHC-UHFFFAOYSA-N 1 2 374.441 3.305 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000332621655 498744393 /nfs/dbraw/zinc/74/43/93/498744393.db2.gz NWXADTTZLPSZAZ-UHFFFAOYSA-N 1 2 361.377 3.181 20 5 FGBDLO CCOC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298411976 498763244 /nfs/dbraw/zinc/76/32/44/498763244.db2.gz XDBSZSBZJYYGTH-UHFFFAOYSA-N 1 2 355.822 3.078 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366099724 498775007 /nfs/dbraw/zinc/77/50/07/498775007.db2.gz ZGWSGBKRQNTEQX-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366099724 498775010 /nfs/dbraw/zinc/77/50/10/498775010.db2.gz ZGWSGBKRQNTEQX-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000317249314 498792216 /nfs/dbraw/zinc/79/22/16/498792216.db2.gz AGCZMUPYABADNJ-CYBMUJFWSA-N 1 2 371.231 3.275 20 5 FGBDLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000317249314 498792222 /nfs/dbraw/zinc/79/22/22/498792222.db2.gz AGCZMUPYABADNJ-CYBMUJFWSA-N 1 2 371.231 3.275 20 5 FGBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 ZINC000298654833 498840265 /nfs/dbraw/zinc/84/02/65/498840265.db2.gz MTCBSLLOYCOGIN-UHFFFAOYSA-N 1 2 358.379 3.038 20 5 FGBDLO C[N@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 ZINC000298654833 498840271 /nfs/dbraw/zinc/84/02/71/498840271.db2.gz MTCBSLLOYCOGIN-UHFFFAOYSA-N 1 2 358.379 3.038 20 5 FGBDLO Cc1sc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363679813 498941252 /nfs/dbraw/zinc/94/12/52/498941252.db2.gz XGQBWKHZQIRHGL-UHFFFAOYSA-N 1 2 360.439 3.101 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000573088919 506116224 /nfs/dbraw/zinc/11/62/24/506116224.db2.gz KSQASRWXOWZIBI-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363838055 499020428 /nfs/dbraw/zinc/02/04/28/499020428.db2.gz RRSICUQHFZMPEK-MRXNPFEDSA-N 1 2 370.453 3.055 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cn(C)c3ccccc23)CC1 ZINC000367406507 499195632 /nfs/dbraw/zinc/19/56/32/499195632.db2.gz VNEDHGRVPXRAKF-UHFFFAOYSA-N 1 2 351.410 3.109 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cn(C)c3ccccc23)CC1 ZINC000367406507 499195633 /nfs/dbraw/zinc/19/56/33/499195633.db2.gz VNEDHGRVPXRAKF-UHFFFAOYSA-N 1 2 351.410 3.109 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)nn2)c1 ZINC000370659389 499241000 /nfs/dbraw/zinc/24/10/00/499241000.db2.gz CHAYFFZZQZCRQH-AWEZNQCLSA-N 1 2 367.409 3.343 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000368848987 499339346 /nfs/dbraw/zinc/33/93/46/499339346.db2.gz CWVVANSZKVXZIT-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020545 499390584 /nfs/dbraw/zinc/39/05/84/499390584.db2.gz MEBJNWGQLUICAU-GUYCJALGSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020545 499390586 /nfs/dbraw/zinc/39/05/86/499390586.db2.gz MEBJNWGQLUICAU-GUYCJALGSA-N 1 2 370.409 3.020 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369420594 499401731 /nfs/dbraw/zinc/40/17/31/499401731.db2.gz ARIFLVDWYOYCCQ-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369420594 499401733 /nfs/dbraw/zinc/40/17/33/499401733.db2.gz ARIFLVDWYOYCCQ-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000372441474 499435075 /nfs/dbraw/zinc/43/50/75/499435075.db2.gz XIOIXLIEKRVAHU-CYBMUJFWSA-N 1 2 354.410 3.136 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000372441474 499435077 /nfs/dbraw/zinc/43/50/77/499435077.db2.gz XIOIXLIEKRVAHU-CYBMUJFWSA-N 1 2 354.410 3.136 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](OCC4CC4)C3)n2)cc1 ZINC000375314506 499506421 /nfs/dbraw/zinc/50/64/21/499506421.db2.gz NBXFJGNXKLDOCT-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)n2)cc1 ZINC000375314506 499506419 /nfs/dbraw/zinc/50/64/19/499506419.db2.gz NBXFJGNXKLDOCT-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397943484 499564924 /nfs/dbraw/zinc/56/49/24/499564924.db2.gz IRNQQWTWCBPBOR-FQEVSTJZSA-N 1 2 369.421 3.085 20 5 FGBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397943484 499564926 /nfs/dbraw/zinc/56/49/26/499564926.db2.gz IRNQQWTWCBPBOR-FQEVSTJZSA-N 1 2 369.421 3.085 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376424537 499607712 /nfs/dbraw/zinc/60/77/12/499607712.db2.gz ADIJCZVSHWMLLH-UHFFFAOYSA-N 1 2 364.287 3.201 20 5 FGBDLO O=C(CC[N@@H+]1CCc2ccc(F)c(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000410029205 499637119 /nfs/dbraw/zinc/63/71/19/499637119.db2.gz XYOSVGHUFRYOKO-UHFFFAOYSA-N 1 2 361.348 3.260 20 5 FGBDLO O=C(CC[N@H+]1CCc2ccc(F)c(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000410029205 499637120 /nfs/dbraw/zinc/63/71/20/499637120.db2.gz XYOSVGHUFRYOKO-UHFFFAOYSA-N 1 2 361.348 3.260 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000378130947 499760333 /nfs/dbraw/zinc/76/03/33/499760333.db2.gz DEOCSCXKBOCJNA-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000378130947 499760334 /nfs/dbraw/zinc/76/03/34/499760334.db2.gz DEOCSCXKBOCJNA-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCO[C@H](CF)C3)cs2)c1 ZINC000414477010 499797202 /nfs/dbraw/zinc/79/72/02/499797202.db2.gz LAIFGFJNSHFDAT-OAHLLOKOSA-N 1 2 351.403 3.279 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCO[C@H](CF)C3)cs2)c1 ZINC000414477010 499797204 /nfs/dbraw/zinc/79/72/04/499797204.db2.gz LAIFGFJNSHFDAT-OAHLLOKOSA-N 1 2 351.403 3.279 20 5 FGBDLO O=C1C[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)Oc2ccccc21 ZINC000411980146 499809172 /nfs/dbraw/zinc/80/91/72/499809172.db2.gz ITGZTDYBYRZMCX-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)Oc2ccccc21 ZINC000411980146 499809174 /nfs/dbraw/zinc/80/91/74/499809174.db2.gz ITGZTDYBYRZMCX-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1CC[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2N1C1CC1 ZINC000413200640 499926016 /nfs/dbraw/zinc/92/60/16/499926016.db2.gz JEGWEITYHSGAOE-KSSFIOAISA-N 1 2 366.421 3.123 20 5 FGBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000413212202 499927691 /nfs/dbraw/zinc/92/76/91/499927691.db2.gz IJGSPTNPTUWPLV-CABCVRRESA-N 1 2 352.316 3.264 20 5 FGBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000413212202 499927692 /nfs/dbraw/zinc/92/76/92/499927692.db2.gz IJGSPTNPTUWPLV-CABCVRRESA-N 1 2 352.316 3.264 20 5 FGBDLO Cc1cc(N2CCC[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n(C)n1 ZINC000413269529 499934999 /nfs/dbraw/zinc/93/49/99/499934999.db2.gz SEXMPTMTDPIUBE-HNNXBMFYSA-N 1 2 366.425 3.266 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158605 500015738 /nfs/dbraw/zinc/01/57/38/500015738.db2.gz YGZBDXQWMLDTQJ-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158605 500015741 /nfs/dbraw/zinc/01/57/41/500015741.db2.gz YGZBDXQWMLDTQJ-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO Cn1cc[nH+]c1[C@H](N[C@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417371470 500051959 /nfs/dbraw/zinc/05/19/59/500051959.db2.gz VOWYRRGAUJYJGV-RBUKOAKNSA-N 1 2 364.405 3.279 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000421519967 500070181 /nfs/dbraw/zinc/07/01/81/500070181.db2.gz FYLSWQIIIDBHIM-UHFFFAOYSA-N 1 2 370.409 3.004 20 5 FGBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH2+]1 ZINC000421898375 500172124 /nfs/dbraw/zinc/17/21/24/500172124.db2.gz ZTTLAOHQLXXLJV-KRWDZBQOSA-N 1 2 369.421 3.007 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430131634 500197525 /nfs/dbraw/zinc/19/75/25/500197525.db2.gz LAUKUBMYEKUIQX-ZDUSSCGKSA-N 1 2 358.394 3.395 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430131634 500197528 /nfs/dbraw/zinc/19/75/28/500197528.db2.gz LAUKUBMYEKUIQX-ZDUSSCGKSA-N 1 2 358.394 3.395 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000430262865 500217388 /nfs/dbraw/zinc/21/73/88/500217388.db2.gz ZBGWIXMGPJPBBO-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000430262865 500217391 /nfs/dbraw/zinc/21/73/91/500217391.db2.gz ZBGWIXMGPJPBBO-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO CCc1nc(C)c(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000426332896 500261746 /nfs/dbraw/zinc/26/17/46/500261746.db2.gz XMPNZHPQZLPYQV-QGZVFWFLSA-N 1 2 355.398 3.066 20 5 FGBDLO CC(C)c1nc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000428736594 500550651 /nfs/dbraw/zinc/55/06/51/500550651.db2.gz ZRDHOSFPHSZPFE-UHFFFAOYSA-N 1 2 370.413 3.357 20 5 FGBDLO CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000443108425 500680905 /nfs/dbraw/zinc/68/09/05/500680905.db2.gz ITORZWQAPVWUDD-LBPRGKRZSA-N 1 2 357.395 3.323 20 5 FGBDLO Cc1nn(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000447898780 500688264 /nfs/dbraw/zinc/68/82/64/500688264.db2.gz YSXSUOMUILELGH-UHFFFAOYSA-N 1 2 373.638 3.342 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000433407369 500688543 /nfs/dbraw/zinc/68/85/43/500688543.db2.gz WVGOOFFERDHNHP-UHFFFAOYSA-N 1 2 371.441 3.295 20 5 FGBDLO CCOc1cc(CS(=O)(=O)Cc2ccc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000434637073 500871075 /nfs/dbraw/zinc/87/10/75/500871075.db2.gz LOVHZJKNAFFPPU-UHFFFAOYSA-N 1 2 364.423 3.120 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000444691396 500879850 /nfs/dbraw/zinc/87/98/50/500879850.db2.gz YNNLSEDUBSUKQO-MRXNPFEDSA-N 1 2 362.336 3.227 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000439898815 500952679 /nfs/dbraw/zinc/95/26/79/500952679.db2.gz JPHNLORPPPYDMG-UHFFFAOYSA-N 1 2 369.381 3.271 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])o1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336217 500956881 /nfs/dbraw/zinc/95/68/81/500956881.db2.gz OXVJOKUQLVNBSM-UHFFFAOYSA-N 1 2 374.784 3.380 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436251994 501095337 /nfs/dbraw/zinc/09/53/37/501095337.db2.gz GSQRPENOQACXHX-UHFFFAOYSA-N 1 2 363.348 3.476 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1cn2ccccc2[nH+]1 ZINC000436275327 501100430 /nfs/dbraw/zinc/10/04/30/501100430.db2.gz OWNIELILTNXQHH-UHFFFAOYSA-N 1 2 351.288 3.311 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccncc1OCC(F)F ZINC000441345082 501124344 /nfs/dbraw/zinc/12/43/44/501124344.db2.gz FJIIPAHSVWYNJG-UHFFFAOYSA-N 1 2 367.352 3.322 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCCC[C@@H]12 ZINC000450538066 501148595 /nfs/dbraw/zinc/14/85/95/501148595.db2.gz YDOFDDYWRDAJQM-KBMXLJTQSA-N 1 2 354.410 3.431 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441520329 501151236 /nfs/dbraw/zinc/15/12/36/501151236.db2.gz COQXCGWRMKLQSS-KRWDZBQOSA-N 1 2 367.449 3.351 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326218 501266200 /nfs/dbraw/zinc/26/62/00/501266200.db2.gz PTBHWJQBYDTIHB-MRXNPFEDSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326218 501266203 /nfs/dbraw/zinc/26/62/03/501266203.db2.gz PTBHWJQBYDTIHB-MRXNPFEDSA-N 1 2 350.802 3.422 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402631 501283484 /nfs/dbraw/zinc/28/34/84/501283484.db2.gz BVIUOFHDDJXNNZ-VXGBXAGGSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402631 501283486 /nfs/dbraw/zinc/28/34/86/501283486.db2.gz BVIUOFHDDJXNNZ-VXGBXAGGSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550795 501320834 /nfs/dbraw/zinc/32/08/34/501320834.db2.gz RYRJPIKTSVTKRB-GXTWGEPZSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550795 501320835 /nfs/dbraw/zinc/32/08/35/501320835.db2.gz RYRJPIKTSVTKRB-GXTWGEPZSA-N 1 2 360.439 3.258 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000459121533 501597821 /nfs/dbraw/zinc/59/78/21/501597821.db2.gz RWDXHKJEDUSGEI-AWEZNQCLSA-N 1 2 359.430 3.492 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454991770 501667873 /nfs/dbraw/zinc/66/78/73/501667873.db2.gz PNYYNAPGSGAQQL-OAHLLOKOSA-N 1 2 370.409 3.088 20 5 FGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2c(s1)CCC2 ZINC000459638251 501690918 /nfs/dbraw/zinc/69/09/18/501690918.db2.gz TYPAWKLZFJSELX-JTQLQIEISA-N 1 2 361.423 3.257 20 5 FGBDLO COc1cc(C[N@H+](CCC2CCCCC2)CC(N)=O)c([N+](=O)[O-])cc1F ZINC000464124048 501902866 /nfs/dbraw/zinc/90/28/66/501902866.db2.gz XRENJBJKWZFQIG-UHFFFAOYSA-N 1 2 367.421 3.000 20 5 FGBDLO COc1cc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c([N+](=O)[O-])cc1F ZINC000464124048 501902870 /nfs/dbraw/zinc/90/28/70/501902870.db2.gz XRENJBJKWZFQIG-UHFFFAOYSA-N 1 2 367.421 3.000 20 5 FGBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)[NH+]2CCOCC2)c1 ZINC000471252365 501968136 /nfs/dbraw/zinc/96/81/36/501968136.db2.gz XSDKFICIOGBWGU-QGZVFWFLSA-N 1 2 374.416 3.110 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000464479796 502001330 /nfs/dbraw/zinc/00/13/30/502001330.db2.gz JDBOIPQYTYCPBZ-HNNXBMFYSA-N 1 2 352.337 3.359 20 5 FGBDLO COc1c(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)cccc1[N+](=O)[O-] ZINC000475184346 502092918 /nfs/dbraw/zinc/09/29/18/502092918.db2.gz SNSYBJRQMWHTHZ-UHFFFAOYSA-N 1 2 366.377 3.470 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464835721 502111983 /nfs/dbraw/zinc/11/19/83/502111983.db2.gz RNWLFPVOQSNGMV-SFHVURJKSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464835721 502111987 /nfs/dbraw/zinc/11/19/87/502111987.db2.gz RNWLFPVOQSNGMV-SFHVURJKSA-N 1 2 358.394 3.056 20 5 FGBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000482593193 502120102 /nfs/dbraw/zinc/12/01/02/502120102.db2.gz QFDSSCXFNWNCGC-CQSZACIVSA-N 1 2 357.410 3.356 20 5 FGBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000482593193 502120106 /nfs/dbraw/zinc/12/01/06/502120106.db2.gz QFDSSCXFNWNCGC-CQSZACIVSA-N 1 2 357.410 3.356 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000468606778 502122876 /nfs/dbraw/zinc/12/28/76/502122876.db2.gz AYJGDBOIIUOKMO-FOWTUZBSSA-N 1 2 368.437 3.337 20 5 FGBDLO Cc1cccc(OCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000472028354 502204160 /nfs/dbraw/zinc/20/41/60/502204160.db2.gz FJGASLKRLSAQSV-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000462207314 502350544 /nfs/dbraw/zinc/35/05/44/502350544.db2.gz KWAOWRMDPDHNDF-UHFFFAOYSA-N 1 2 354.410 3.296 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480560571 502603522 /nfs/dbraw/zinc/60/35/22/502603522.db2.gz XBBQFJIFIJSHLB-TZMCWYRMSA-N 1 2 373.375 3.204 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599105546 506325582 /nfs/dbraw/zinc/32/55/82/506325582.db2.gz CUXNHASZPFNTIQ-MRXNPFEDSA-N 1 2 350.382 3.425 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000480689165 502644274 /nfs/dbraw/zinc/64/42/74/502644274.db2.gz MAORLIBTIJAYAC-GHMZBOCLSA-N 1 2 363.805 3.395 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470131229 502671278 /nfs/dbraw/zinc/67/12/78/502671278.db2.gz FWVXUVWEYFFAMQ-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596258168 506330714 /nfs/dbraw/zinc/33/07/14/506330714.db2.gz WFKKTDKJJQYCBY-VIFPVBQESA-N 1 2 352.778 3.424 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000509122405 502827233 /nfs/dbraw/zinc/82/72/33/502827233.db2.gz CTLAQEZDGBVPDG-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000500667402 502836321 /nfs/dbraw/zinc/83/63/21/502836321.db2.gz QBEHMYLHBHEZOW-UHFFFAOYSA-N 1 2 368.437 3.384 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000513143628 502862387 /nfs/dbraw/zinc/86/23/87/502862387.db2.gz FMKGRTMLFVNPNZ-UHFFFAOYSA-N 1 2 358.394 3.482 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513143628 502862390 /nfs/dbraw/zinc/86/23/90/502862390.db2.gz FMKGRTMLFVNPNZ-UHFFFAOYSA-N 1 2 358.394 3.482 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000497134175 502922938 /nfs/dbraw/zinc/92/29/38/502922938.db2.gz VJICUNARAKJZFI-INIZCTEOSA-N 1 2 374.384 3.104 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000497134175 502922944 /nfs/dbraw/zinc/92/29/44/502922944.db2.gz VJICUNARAKJZFI-INIZCTEOSA-N 1 2 374.384 3.104 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000501071641 502927932 /nfs/dbraw/zinc/92/79/32/502927932.db2.gz HRGWUQQXYZRXPD-CYBMUJFWSA-N 1 2 357.414 3.225 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000505581089 502940152 /nfs/dbraw/zinc/94/01/52/502940152.db2.gz FLTZXIDNFNFOCT-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505605272 502948697 /nfs/dbraw/zinc/94/86/97/502948697.db2.gz FSVQGCZGXQFXRG-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000505803444 502988686 /nfs/dbraw/zinc/98/86/86/502988686.db2.gz SRIZSJHZKQGXAX-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CCOc1ncccc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513761055 503017908 /nfs/dbraw/zinc/01/79/08/503017908.db2.gz LVDNTJCJDMVZJF-KRWDZBQOSA-N 1 2 367.409 3.001 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000513992968 503063187 /nfs/dbraw/zinc/06/31/87/503063187.db2.gz WVTGITGXNCUZPN-MRXNPFEDSA-N 1 2 359.813 3.343 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000510329317 503093317 /nfs/dbraw/zinc/09/33/17/503093317.db2.gz NJSIVCUCTATFQB-UHFFFAOYSA-N 1 2 350.378 3.361 20 5 FGBDLO Cn1cc(C[N@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918254 506351563 /nfs/dbraw/zinc/35/15/63/506351563.db2.gz PFBMWDZXGABWMY-LJQANCHMSA-N 1 2 366.421 3.064 20 5 FGBDLO Cn1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918254 506351566 /nfs/dbraw/zinc/35/15/66/506351566.db2.gz PFBMWDZXGABWMY-LJQANCHMSA-N 1 2 366.421 3.064 20 5 FGBDLO Cc1cccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000498494170 503195008 /nfs/dbraw/zinc/19/50/08/503195008.db2.gz YYEFFNGICZPQAO-UHFFFAOYSA-N 1 2 350.378 3.361 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000502671139 503248347 /nfs/dbraw/zinc/24/83/47/503248347.db2.gz WOMPAHBIULDABF-UHFFFAOYSA-N 1 2 371.412 3.254 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc2ccccc2s1 ZINC000511109685 503258227 /nfs/dbraw/zinc/25/82/27/503258227.db2.gz OWANEZGMCCSNII-UHFFFAOYSA-N 1 2 370.434 3.318 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc2ccccc2s1 ZINC000511109685 503258229 /nfs/dbraw/zinc/25/82/29/503258229.db2.gz OWANEZGMCCSNII-UHFFFAOYSA-N 1 2 370.434 3.318 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507244291 503258839 /nfs/dbraw/zinc/25/88/39/503258839.db2.gz VKEHTYRLIWIZKH-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507244291 503258842 /nfs/dbraw/zinc/25/88/42/503258842.db2.gz VKEHTYRLIWIZKH-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507261180 503263005 /nfs/dbraw/zinc/26/30/05/503263005.db2.gz JQSBTMZGFKJWIN-IBGZPJMESA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507261180 503263009 /nfs/dbraw/zinc/26/30/09/503263009.db2.gz JQSBTMZGFKJWIN-IBGZPJMESA-N 1 2 369.421 3.088 20 5 FGBDLO Nc1c(F)c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000599180796 506362983 /nfs/dbraw/zinc/36/29/83/506362983.db2.gz ZFICSDUELWLDHE-UHFFFAOYSA-N 1 2 369.400 3.120 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccs2)CC1 ZINC000602953850 506365215 /nfs/dbraw/zinc/36/52/15/506365215.db2.gz DOJWXQMMWLCBKI-CYBMUJFWSA-N 1 2 374.466 3.333 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000503165380 503359251 /nfs/dbraw/zinc/35/92/51/503359251.db2.gz BZVXNCOBTANXHN-ZDUSSCGKSA-N 1 2 357.414 3.268 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2csc(COC)n2)cc1[N+](=O)[O-] ZINC000515562500 503366486 /nfs/dbraw/zinc/36/64/86/503366486.db2.gz ZEHRMYYLTHQTET-NSHDSACASA-N 1 2 351.428 3.447 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492542868 503373599 /nfs/dbraw/zinc/37/35/99/503373599.db2.gz UQBHGVGGZKFRHX-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO CCOc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000492580303 503375337 /nfs/dbraw/zinc/37/53/37/503375337.db2.gz DSLZDIBJLNSJFJ-UHFFFAOYSA-N 1 2 371.437 3.438 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000515670342 503382067 /nfs/dbraw/zinc/38/20/67/503382067.db2.gz LMEQFDLETHFWBI-CYBMUJFWSA-N 1 2 357.414 3.045 20 5 FGBDLO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000511956775 503423478 /nfs/dbraw/zinc/42/34/78/503423478.db2.gz KMDVVFBZXLMAMJ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000511956775 503423480 /nfs/dbraw/zinc/42/34/80/503423480.db2.gz KMDVVFBZXLMAMJ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499957928 503521881 /nfs/dbraw/zinc/52/18/81/503521881.db2.gz URMTWMXWQVRQLR-AWEZNQCLSA-N 1 2 354.765 3.219 20 5 FGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000536661105 503665877 /nfs/dbraw/zinc/66/58/77/503665877.db2.gz YLHRMGGJRNCQKJ-ALCCZGGFSA-N 1 2 360.435 3.144 20 5 FGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000536661105 503665884 /nfs/dbraw/zinc/66/58/84/503665884.db2.gz YLHRMGGJRNCQKJ-ALCCZGGFSA-N 1 2 360.435 3.144 20 5 FGBDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000533338592 503811261 /nfs/dbraw/zinc/81/12/61/503811261.db2.gz PIRGLNBWQALYFU-UHFFFAOYSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cn2cc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)ccc2[nH+]1 ZINC000517718135 503816476 /nfs/dbraw/zinc/81/64/76/503816476.db2.gz VIBCIZXMAJMWML-UHFFFAOYSA-N 1 2 363.333 3.057 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000543900850 503933530 /nfs/dbraw/zinc/93/35/30/503933530.db2.gz HTNNGFNUWQHJEZ-KRWDZBQOSA-N 1 2 366.377 3.316 20 5 FGBDLO C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000530374975 503941501 /nfs/dbraw/zinc/94/15/01/503941501.db2.gz RGUQYSUSTABUTA-QWRGUYRKSA-N 1 2 363.805 3.395 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000530374739 503941791 /nfs/dbraw/zinc/94/17/91/503941791.db2.gz BWNQFPWYPXXRFJ-OKILXGFUSA-N 1 2 357.414 3.359 20 5 FGBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000535072454 504335876 /nfs/dbraw/zinc/33/58/76/504335876.db2.gz SLDUKVPRZGIINI-UHFFFAOYSA-N 1 2 361.471 3.066 20 5 FGBDLO C/C(=C/c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116050 504363248 /nfs/dbraw/zinc/36/32/48/504363248.db2.gz VZKYPBPMLPOXLT-DDKJEQMHSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C/c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116050 504363252 /nfs/dbraw/zinc/36/32/52/504363252.db2.gz VZKYPBPMLPOXLT-DDKJEQMHSA-N 1 2 358.398 3.320 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000535244170 504380540 /nfs/dbraw/zinc/38/05/40/504380540.db2.gz UFLFOLOEDPVKDF-MAUKXSAKSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000535244170 504380548 /nfs/dbraw/zinc/38/05/48/504380548.db2.gz UFLFOLOEDPVKDF-MAUKXSAKSA-N 1 2 357.454 3.134 20 5 FGBDLO CC(C)(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000532026253 504510036 /nfs/dbraw/zinc/51/00/36/504510036.db2.gz SBEMHYDFBSDUTP-UHFFFAOYSA-N 1 2 372.812 3.490 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc([N+](=O)[O-])c1OC ZINC000532186541 504566396 /nfs/dbraw/zinc/56/63/96/504566396.db2.gz YYYMWXKNUHXVOC-UHFFFAOYSA-N 1 2 356.338 3.049 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000532186541 504566398 /nfs/dbraw/zinc/56/63/98/504566398.db2.gz YYYMWXKNUHXVOC-UHFFFAOYSA-N 1 2 356.338 3.049 20 5 FGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001285 504602127 /nfs/dbraw/zinc/60/21/27/504602127.db2.gz BOFLPDNAKXWQQO-OAHLLOKOSA-N 1 2 357.454 3.348 20 5 FGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001285 504602130 /nfs/dbraw/zinc/60/21/30/504602130.db2.gz BOFLPDNAKXWQQO-OAHLLOKOSA-N 1 2 357.454 3.348 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532683435 504735909 /nfs/dbraw/zinc/73/59/09/504735909.db2.gz YJYLELDCGPUTCR-AWEZNQCLSA-N 1 2 374.828 3.373 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532683435 504735912 /nfs/dbraw/zinc/73/59/12/504735912.db2.gz YJYLELDCGPUTCR-AWEZNQCLSA-N 1 2 374.828 3.373 20 5 FGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000543138182 504739074 /nfs/dbraw/zinc/73/90/74/504739074.db2.gz DGCHEYJPBKWAHM-UHFFFAOYSA-N 1 2 366.414 3.030 20 5 FGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000543138182 504739078 /nfs/dbraw/zinc/73/90/78/504739078.db2.gz DGCHEYJPBKWAHM-UHFFFAOYSA-N 1 2 366.414 3.030 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000553104816 504828429 /nfs/dbraw/zinc/82/84/29/504828429.db2.gz PBFCVFBLDKWJGS-UHFFFAOYSA-N 1 2 366.377 3.488 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549998529 504948903 /nfs/dbraw/zinc/94/89/03/504948903.db2.gz FPEUXMMZHQMIHK-ZBFHGGJFSA-N 1 2 374.359 3.384 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549998529 504948906 /nfs/dbraw/zinc/94/89/06/504948906.db2.gz FPEUXMMZHQMIHK-ZBFHGGJFSA-N 1 2 374.359 3.384 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000562886618 504976167 /nfs/dbraw/zinc/97/61/67/504976167.db2.gz MVEHMHAEAJQZCM-LSDHHAIUSA-N 1 2 354.410 3.431 20 5 FGBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000557376747 505121114 /nfs/dbraw/zinc/12/11/14/505121114.db2.gz WHECRMJXZGHINO-UHFFFAOYSA-N 1 2 364.405 3.154 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000567142437 505376231 /nfs/dbraw/zinc/37/62/31/505376231.db2.gz ROZPFFSOFBGEEQ-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000567142437 505376233 /nfs/dbraw/zinc/37/62/33/505376233.db2.gz ROZPFFSOFBGEEQ-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000567312410 505424250 /nfs/dbraw/zinc/42/42/50/505424250.db2.gz QNNCILLRHUJIJG-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000567312410 505424254 /nfs/dbraw/zinc/42/42/54/505424254.db2.gz QNNCILLRHUJIJG-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000555417602 505428161 /nfs/dbraw/zinc/42/81/61/505428161.db2.gz CDUZWLBWKOLALR-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000555417602 505428165 /nfs/dbraw/zinc/42/81/65/505428165.db2.gz CDUZWLBWKOLALR-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118777 506405186 /nfs/dbraw/zinc/40/51/86/506405186.db2.gz RUERDWFDICCKAZ-XPTSAGLGSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118777 506405192 /nfs/dbraw/zinc/40/51/92/506405192.db2.gz RUERDWFDICCKAZ-XPTSAGLGSA-N 1 2 359.760 3.306 20 5 FGBDLO Cc1cc(N2CCC[C@](O)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596460730 506417177 /nfs/dbraw/zinc/41/71/77/506417177.db2.gz AHLQBTOYUJWHRH-LJQANCHMSA-N 1 2 354.410 3.102 20 5 FGBDLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1cccnc1 ZINC000596591862 506477678 /nfs/dbraw/zinc/47/76/78/506477678.db2.gz MGDRSFJOJXUSBZ-ZWKOTPCHSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1cccnc1 ZINC000596591862 506477685 /nfs/dbraw/zinc/47/76/85/506477685.db2.gz MGDRSFJOJXUSBZ-ZWKOTPCHSA-N 1 2 366.421 3.178 20 5 FGBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512573 506480151 /nfs/dbraw/zinc/48/01/51/506480151.db2.gz KRFAPXSIRVNWAK-UWVGGRQHSA-N 1 2 361.776 3.410 20 5 FGBDLO Cc1nc2ccccc2nc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589303944 506511407 /nfs/dbraw/zinc/51/14/07/506511407.db2.gz ROHCXQSJTKQZPU-UHFFFAOYSA-N 1 2 350.378 3.241 20 5 FGBDLO Cc1nc2ccccc2nc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589303944 506511411 /nfs/dbraw/zinc/51/14/11/506511411.db2.gz ROHCXQSJTKQZPU-UHFFFAOYSA-N 1 2 350.378 3.241 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599625404 506537113 /nfs/dbraw/zinc/53/71/13/506537113.db2.gz JSDJUFZJUDKCAR-UHFFFAOYSA-N 1 2 366.421 3.407 20 5 FGBDLO Cn1cc(-c2ccc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)s2)cn1 ZINC000589521711 506577820 /nfs/dbraw/zinc/57/78/20/506577820.db2.gz YXJPNVGXYXANFZ-UHFFFAOYSA-N 1 2 370.434 3.451 20 5 FGBDLO Cn1cc(-c2ccc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)s2)cn1 ZINC000589521711 506577824 /nfs/dbraw/zinc/57/78/24/506577824.db2.gz YXJPNVGXYXANFZ-UHFFFAOYSA-N 1 2 370.434 3.451 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000612580303 506636038 /nfs/dbraw/zinc/63/60/38/506636038.db2.gz OJYMIBUCODKWHW-OAQYLSRUSA-N 1 2 369.465 3.020 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000612580303 506636043 /nfs/dbraw/zinc/63/60/43/506636043.db2.gz OJYMIBUCODKWHW-OAQYLSRUSA-N 1 2 369.465 3.020 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593645769 506713235 /nfs/dbraw/zinc/71/32/35/506713235.db2.gz QDGVNWQXHQWZGL-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593645769 506713239 /nfs/dbraw/zinc/71/32/39/506713239.db2.gz QDGVNWQXHQWZGL-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)CC2 ZINC000599992960 506739534 /nfs/dbraw/zinc/73/95/34/506739534.db2.gz PTAJYXHGIRDRCF-ZDUSSCGKSA-N 1 2 357.414 3.121 20 5 FGBDLO O=C(CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)NC1CCCC1 ZINC000604416066 506826249 /nfs/dbraw/zinc/82/62/49/506826249.db2.gz YLTQPTLOXLQPKG-UHFFFAOYSA-N 1 2 351.472 3.317 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)cc1F ZINC000604433350 506831181 /nfs/dbraw/zinc/83/11/81/506831181.db2.gz IPFAVLQJMGFHJN-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO Cc1cc(NCCOc2ccccc2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508414 506855135 /nfs/dbraw/zinc/85/51/35/506855135.db2.gz AUOVMFYUSCWOPO-UHFFFAOYSA-N 1 2 368.368 3.412 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000597243881 506856841 /nfs/dbraw/zinc/85/68/41/506856841.db2.gz PAGGPKAZUSKOQG-UVTDQMKNSA-N 1 2 355.442 3.403 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000597243881 506856849 /nfs/dbraw/zinc/85/68/49/506856849.db2.gz PAGGPKAZUSKOQG-UVTDQMKNSA-N 1 2 355.442 3.403 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057480 506912512 /nfs/dbraw/zinc/91/25/12/506912512.db2.gz FUNRNTJFKNZNKF-GJZGRUSLSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057480 506912515 /nfs/dbraw/zinc/91/25/15/506912515.db2.gz FUNRNTJFKNZNKF-GJZGRUSLSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCCC2)O1 ZINC000594058915 506912692 /nfs/dbraw/zinc/91/26/92/506912692.db2.gz URQFRXNJPDLULY-CQSZACIVSA-N 1 2 362.426 3.385 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCCC2)O1 ZINC000594058915 506912697 /nfs/dbraw/zinc/91/26/97/506912697.db2.gz URQFRXNJPDLULY-CQSZACIVSA-N 1 2 362.426 3.385 20 5 FGBDLO C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600449108 506959108 /nfs/dbraw/zinc/95/91/08/506959108.db2.gz QIRYHCBLVBKSFO-LLVKDONJSA-N 1 2 350.325 3.040 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000583903939 507040448 /nfs/dbraw/zinc/04/04/48/507040448.db2.gz TWUYFWVQXCFFMX-UHFFFAOYSA-N 1 2 351.366 3.002 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+]1Cc2ccccc2C1 ZINC000610131104 507110284 /nfs/dbraw/zinc/11/02/84/507110284.db2.gz ZKZOLLZNAUBNHL-UHFFFAOYSA-N 1 2 373.384 3.338 20 5 FGBDLO COc1cc(CNCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000610150870 507117147 /nfs/dbraw/zinc/11/71/47/507117147.db2.gz CGZGNINHNYMWMT-UHFFFAOYSA-N 1 2 368.393 3.195 20 5 FGBDLO COc1cc(C[NH2+]Cc2ncc[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000610150870 507117153 /nfs/dbraw/zinc/11/71/53/507117153.db2.gz CGZGNINHNYMWMT-UHFFFAOYSA-N 1 2 368.393 3.195 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304222 507184745 /nfs/dbraw/zinc/18/47/45/507184745.db2.gz OONBJLWIQFRIOY-SFHVURJKSA-N 1 2 364.405 3.351 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597939848 507188215 /nfs/dbraw/zinc/18/82/15/507188215.db2.gz CRPHFHWLTWJUHV-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000610481353 507256096 /nfs/dbraw/zinc/25/60/96/507256096.db2.gz JPQGJKYPGVUTLU-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000610481353 507256105 /nfs/dbraw/zinc/25/61/05/507256105.db2.gz JPQGJKYPGVUTLU-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240090 507307012 /nfs/dbraw/zinc/30/70/12/507307012.db2.gz GGGCGKBATFDFHE-UHFFFAOYSA-N 1 2 374.466 3.302 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000595020416 507357115 /nfs/dbraw/zinc/35/71/15/507357115.db2.gz YATXVCAGBAOOIN-BONVTDFDSA-N 1 2 352.337 3.266 20 5 FGBDLO Cc1noc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595296247 507453246 /nfs/dbraw/zinc/45/32/46/507453246.db2.gz YKZMLCKSRDRFPK-HTQZYQBOSA-N 1 2 361.242 3.454 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610964200 507457237 /nfs/dbraw/zinc/45/72/37/507457237.db2.gz CNCJPHMNCMMQCI-CYBMUJFWSA-N 1 2 368.315 3.287 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2[nH]cc[nH+]2)cc1OC ZINC000595398831 507480210 /nfs/dbraw/zinc/48/02/10/507480210.db2.gz CUHDALLNWTWDGC-ZDUSSCGKSA-N 1 2 362.430 3.383 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000595441963 507499934 /nfs/dbraw/zinc/49/99/34/507499934.db2.gz OFWJUISQJDOSCV-AWEZNQCLSA-N 1 2 350.312 3.259 20 5 FGBDLO Cc1noc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595452739 507506105 /nfs/dbraw/zinc/50/61/05/507506105.db2.gz CMBNVMKKLNDHAS-UHFFFAOYSA-N 1 2 359.304 3.421 20 5 FGBDLO Cc1noc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595452739 507506111 /nfs/dbraw/zinc/50/61/11/507506111.db2.gz CMBNVMKKLNDHAS-UHFFFAOYSA-N 1 2 359.304 3.421 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474428 507517386 /nfs/dbraw/zinc/51/73/86/507517386.db2.gz FZIIWMGJVOEZBS-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474428 507517389 /nfs/dbraw/zinc/51/73/89/507517389.db2.gz FZIIWMGJVOEZBS-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222054 507567438 /nfs/dbraw/zinc/56/74/38/507567438.db2.gz IIHACORYDWVJPR-CVEARBPZSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222054 507567449 /nfs/dbraw/zinc/56/74/49/507567449.db2.gz IIHACORYDWVJPR-CVEARBPZSA-N 1 2 362.817 3.127 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)o1 ZINC000611252742 507582686 /nfs/dbraw/zinc/58/26/86/507582686.db2.gz DKNYPVZOZFQPKL-MRXNPFEDSA-N 1 2 371.437 3.151 20 5 FGBDLO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000595682539 507626291 /nfs/dbraw/zinc/62/62/91/507626291.db2.gz AXHUCROADDWAPE-KRWDZBQOSA-N 1 2 352.337 3.359 20 5 FGBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611376202 507648010 /nfs/dbraw/zinc/64/80/10/507648010.db2.gz LBYQZENLKGMFNE-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595808253 507697373 /nfs/dbraw/zinc/69/73/73/507697373.db2.gz BPOCBAVTNMSGNK-GHMZBOCLSA-N 1 2 358.179 3.041 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595808253 507697376 /nfs/dbraw/zinc/69/73/76/507697376.db2.gz BPOCBAVTNMSGNK-GHMZBOCLSA-N 1 2 358.179 3.041 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000595827694 507703797 /nfs/dbraw/zinc/70/37/97/507703797.db2.gz FLIAVMDWAFPGSW-CYBMUJFWSA-N 1 2 358.398 3.098 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902118 507733445 /nfs/dbraw/zinc/73/34/45/507733445.db2.gz GTMCWYHADYWOBT-UHFFFAOYSA-N 1 2 369.421 3.039 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902118 507733454 /nfs/dbraw/zinc/73/34/54/507733454.db2.gz GTMCWYHADYWOBT-UHFFFAOYSA-N 1 2 369.421 3.039 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(Cl)cc1O ZINC000602553631 507747808 /nfs/dbraw/zinc/74/78/08/507747808.db2.gz VYPKUZKRHHZIGC-UHFFFAOYSA-N 1 2 352.774 3.261 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(F)c1 ZINC000823635336 606160526 /nfs/dbraw/zinc/16/05/26/606160526.db2.gz WADLTUDSTRMZSC-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(F)c1 ZINC000823635336 606160528 /nfs/dbraw/zinc/16/05/28/606160528.db2.gz WADLTUDSTRMZSC-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO COc1cc(C[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000793361491 723429720 /nfs/dbraw/zinc/42/97/20/723429720.db2.gz HUIOGBRBJPRIBJ-UHFFFAOYSA-N 1 2 352.284 3.436 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])ccc1Br ZINC000741969912 722550972 /nfs/dbraw/zinc/55/09/72/722550972.db2.gz QRAUFKWMAITUQE-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1Br ZINC000746716642 722616095 /nfs/dbraw/zinc/61/60/95/722616095.db2.gz PKRFIHTZUNOCNM-GFCCVEGCSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1Br ZINC000746716642 722616097 /nfs/dbraw/zinc/61/60/97/722616097.db2.gz PKRFIHTZUNOCNM-GFCCVEGCSA-N 1 2 351.204 3.001 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748305133 722683905 /nfs/dbraw/zinc/68/39/05/722683905.db2.gz GMKDMWODEAYYAY-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748305133 722683906 /nfs/dbraw/zinc/68/39/06/722683906.db2.gz GMKDMWODEAYYAY-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000754697301 722944635 /nfs/dbraw/zinc/94/46/35/722944635.db2.gz AIEVKOFPAKFRRW-SNVBAGLBSA-N 1 2 356.407 3.154 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000793609325 723454199 /nfs/dbraw/zinc/45/41/99/723454199.db2.gz AMHWPDVZCBICHH-NSHDSACASA-N 1 2 353.216 3.408 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000793609325 723454203 /nfs/dbraw/zinc/45/42/03/723454203.db2.gz AMHWPDVZCBICHH-NSHDSACASA-N 1 2 353.216 3.408 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796548592 723642946 /nfs/dbraw/zinc/64/29/46/723642946.db2.gz NVVVQLYMXIFFIW-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796548592 723642948 /nfs/dbraw/zinc/64/29/48/723642948.db2.gz NVVVQLYMXIFFIW-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000768544886 723661266 /nfs/dbraw/zinc/66/12/66/723661266.db2.gz SLTBBQSRWXJTFX-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000768544886 723661268 /nfs/dbraw/zinc/66/12/68/723661268.db2.gz SLTBBQSRWXJTFX-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770004759 723702979 /nfs/dbraw/zinc/70/29/79/723702979.db2.gz WHKDAIKMBXUQJO-UHFFFAOYSA-N 1 2 360.801 3.386 20 5 FGBDLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788475976 725066432 /nfs/dbraw/zinc/06/64/32/725066432.db2.gz KLEAKCUPWYEYQF-UHFFFAOYSA-N 1 2 353.394 3.034 20 5 FGBDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788475976 725066433 /nfs/dbraw/zinc/06/64/33/725066433.db2.gz KLEAKCUPWYEYQF-UHFFFAOYSA-N 1 2 353.394 3.034 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805762163 725092391 /nfs/dbraw/zinc/09/23/91/725092391.db2.gz OAMXLIKMUXWQNZ-CQSZACIVSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805762163 725092394 /nfs/dbraw/zinc/09/23/94/725092394.db2.gz OAMXLIKMUXWQNZ-CQSZACIVSA-N 1 2 353.394 3.177 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000816645099 727184727 /nfs/dbraw/zinc/18/47/27/727184727.db2.gz GSRGARDKLZDTKV-UHFFFAOYSA-N 1 2 371.231 3.086 20 5 FGBDLO Cc1nn(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)cc1[N+](=O)[O-] ZINC000819895017 728950491 /nfs/dbraw/zinc/95/04/91/728950491.db2.gz FVCZXJPJWVZAPP-UHFFFAOYSA-N 1 2 361.471 3.272 20 5 FGBDLO C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000823218266 729264561 /nfs/dbraw/zinc/26/45/61/729264561.db2.gz BXMLFZYXERLTIQ-GWCFXTLKSA-N 1 2 356.304 3.162 20 5 FGBDLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000880008977 737098507 /nfs/dbraw/zinc/09/85/07/737098507.db2.gz YZELKWVENPIVGK-CYBMUJFWSA-N 1 2 360.439 3.096 20 5 FGBDLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000880008977 737098509 /nfs/dbraw/zinc/09/85/09/737098509.db2.gz YZELKWVENPIVGK-CYBMUJFWSA-N 1 2 360.439 3.096 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1C ZINC000896714115 742588200 /nfs/dbraw/zinc/58/82/00/742588200.db2.gz LSMJBYOVJAQKCK-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1C ZINC000896714115 742588204 /nfs/dbraw/zinc/58/82/04/742588204.db2.gz LSMJBYOVJAQKCK-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000900108359 743065233 /nfs/dbraw/zinc/06/52/33/743065233.db2.gz MLNOXYHHOSTXNE-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO COc1cc([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903088389 743803502 /nfs/dbraw/zinc/80/35/02/743803502.db2.gz KOTDZYCXKIUATD-SNVBAGLBSA-N 1 2 358.320 3.213 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)no1 ZINC000931935209 761010087 /nfs/dbraw/zinc/01/00/87/761010087.db2.gz KWXNELURIJDYDZ-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)no1 ZINC000931935209 761010099 /nfs/dbraw/zinc/01/00/99/761010099.db2.gz KWXNELURIJDYDZ-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000162392534 257364428 /nfs/dbraw/zinc/36/44/28/257364428.db2.gz PEGOOHFLYZCBNX-CYBMUJFWSA-N 1 2 372.450 3.111 20 5 FGBDLO CCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000540807905 503899972 /nfs/dbraw/zinc/89/99/72/503899972.db2.gz ZPSPMKWBSWQXOT-UHFFFAOYSA-N 1 2 356.382 3.103 20 5 FGBDLO CCN(CCOC)c1cccc(Cn2ccc3c2cccc3[N+](=O)[O-])[nH+]1 ZINC000577107507 505665555 /nfs/dbraw/zinc/66/55/55/505665555.db2.gz VTKRIYVEIPNYBD-UHFFFAOYSA-N 1 2 354.410 3.466 20 5 FGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1Cc1ccccc1 ZINC000075915500 493795893 /nfs/dbraw/zinc/79/58/93/493795893.db2.gz GQSZYWQDRSKUFP-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1Cc1ccccc1 ZINC000075915500 493795896 /nfs/dbraw/zinc/79/58/96/493795896.db2.gz GQSZYWQDRSKUFP-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO Cc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000076175224 493836614 /nfs/dbraw/zinc/83/66/14/493836614.db2.gz CLJIVMWJPGHYRC-UHFFFAOYSA-N 1 2 356.407 3.423 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029658614 493850570 /nfs/dbraw/zinc/85/05/70/493850570.db2.gz SHZQUNLFOITIAJ-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029658614 493850575 /nfs/dbraw/zinc/85/05/75/493850575.db2.gz SHZQUNLFOITIAJ-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1F ZINC000049980471 493888974 /nfs/dbraw/zinc/88/89/74/493888974.db2.gz ZSKXDJKYGZLZFA-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000081521920 493910228 /nfs/dbraw/zinc/91/02/28/493910228.db2.gz MGZNOALBPLPYOC-UHFFFAOYSA-N 1 2 365.393 3.356 20 5 FGBDLO C[N@H+](CCOc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000060843170 493956119 /nfs/dbraw/zinc/95/61/19/493956119.db2.gz KZYJCMWVVHGDNR-UHFFFAOYSA-N 1 2 354.366 3.156 20 5 FGBDLO C[N@@H+](CCOc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000060843170 493956121 /nfs/dbraw/zinc/95/61/21/493956121.db2.gz KZYJCMWVVHGDNR-UHFFFAOYSA-N 1 2 354.366 3.156 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1C ZINC000051321571 493962142 /nfs/dbraw/zinc/96/21/42/493962142.db2.gz XFOUTLAVJXBCLU-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1C ZINC000051321571 493962146 /nfs/dbraw/zinc/96/21/46/493962146.db2.gz XFOUTLAVJXBCLU-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589865 494044202 /nfs/dbraw/zinc/04/42/02/494044202.db2.gz WSPFNFHKGYLSKE-MRXNPFEDSA-N 1 2 355.438 3.082 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589865 494044206 /nfs/dbraw/zinc/04/42/06/494044206.db2.gz WSPFNFHKGYLSKE-MRXNPFEDSA-N 1 2 355.438 3.082 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033324059 494058345 /nfs/dbraw/zinc/05/83/45/494058345.db2.gz NECSOLNWRBGVFQ-YVMONPNESA-N 1 2 351.406 3.066 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000053211123 494105232 /nfs/dbraw/zinc/10/52/32/494105232.db2.gz ZBTUUNZGYUFRDK-MRXNPFEDSA-N 1 2 369.356 3.379 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814858 494169682 /nfs/dbraw/zinc/16/96/82/494169682.db2.gz KVUCPZGJLJYUGF-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814858 494169685 /nfs/dbraw/zinc/16/96/85/494169685.db2.gz KVUCPZGJLJYUGF-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO COCC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000054353685 494224114 /nfs/dbraw/zinc/22/41/14/494224114.db2.gz FRVVEVVSCJUQCS-GOSISDBHSA-N 1 2 357.410 3.161 20 5 FGBDLO COCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000054353685 494224119 /nfs/dbraw/zinc/22/41/19/494224119.db2.gz FRVVEVVSCJUQCS-GOSISDBHSA-N 1 2 357.410 3.161 20 5 FGBDLO Cc1cc(NCCCOC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078339046 494282079 /nfs/dbraw/zinc/28/20/79/494282079.db2.gz ZJPQZERVSQNYOW-UHFFFAOYSA-N 1 2 372.425 3.358 20 5 FGBDLO CNc1ccc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000073078495 494318757 /nfs/dbraw/zinc/31/87/57/494318757.db2.gz MCOIINBQJCXYIQ-UHFFFAOYSA-N 1 2 367.409 3.115 20 5 FGBDLO COc1cccc([C@@H](Nc2ncc(C)cc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000078627633 494332976 /nfs/dbraw/zinc/33/29/76/494332976.db2.gz ZKKGCEGFBXKJIR-MRXNPFEDSA-N 1 2 353.382 3.242 20 5 FGBDLO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000015549085 494358857 /nfs/dbraw/zinc/35/88/57/494358857.db2.gz CEWJEUIOJDXOIF-CYBMUJFWSA-N 1 2 373.409 3.244 20 5 FGBDLO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000015549085 494358860 /nfs/dbraw/zinc/35/88/60/494358860.db2.gz CEWJEUIOJDXOIF-CYBMUJFWSA-N 1 2 373.409 3.244 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000073603601 494397697 /nfs/dbraw/zinc/39/76/97/494397697.db2.gz ANCILJYVOLSBPL-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000073603601 494397703 /nfs/dbraw/zinc/39/77/03/494397703.db2.gz ANCILJYVOLSBPL-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066849355 494423617 /nfs/dbraw/zinc/42/36/17/494423617.db2.gz GBAQPFNDDQJTBL-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066849355 494423619 /nfs/dbraw/zinc/42/36/19/494423619.db2.gz GBAQPFNDDQJTBL-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000018236773 494430764 /nfs/dbraw/zinc/43/07/64/494430764.db2.gz LHKREABUKUBDBA-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725856 494516443 /nfs/dbraw/zinc/51/64/43/494516443.db2.gz AHIXEUZXFGWOKH-LBPRGKRZSA-N 1 2 360.439 3.199 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000125980028 494595926 /nfs/dbraw/zinc/59/59/26/494595926.db2.gz CTRXUFOLFYHSGH-UHFFFAOYSA-N 1 2 350.378 3.293 20 5 FGBDLO CC[N@H+](CCCNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1 ZINC000115713990 494602111 /nfs/dbraw/zinc/60/21/11/494602111.db2.gz YDNKWVXGXVZTBN-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO CC[N@@H+](CCCNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1 ZINC000115713990 494602117 /nfs/dbraw/zinc/60/21/17/494602117.db2.gz YDNKWVXGXVZTBN-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005784 494614868 /nfs/dbraw/zinc/61/48/68/494614868.db2.gz LCOUHJBLMNDIRZ-UHFFFAOYSA-N 1 2 367.409 3.142 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131474762 494631488 /nfs/dbraw/zinc/63/14/88/494631488.db2.gz SROGRFXHXTZKSH-LJQANCHMSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131474762 494631494 /nfs/dbraw/zinc/63/14/94/494631494.db2.gz SROGRFXHXTZKSH-LJQANCHMSA-N 1 2 369.421 3.379 20 5 FGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131499884 494640274 /nfs/dbraw/zinc/64/02/74/494640274.db2.gz JEXDWOUOFBFDFR-HNNXBMFYSA-N 1 2 353.422 3.173 20 5 FGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131499884 494640281 /nfs/dbraw/zinc/64/02/81/494640281.db2.gz JEXDWOUOFBFDFR-HNNXBMFYSA-N 1 2 353.422 3.173 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000075006641 494672111 /nfs/dbraw/zinc/67/21/11/494672111.db2.gz MQTIBQFSRQSVOC-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000075006641 494672116 /nfs/dbraw/zinc/67/21/16/494672116.db2.gz MQTIBQFSRQSVOC-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO Cc1c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000047417807 494702297 /nfs/dbraw/zinc/70/22/97/494702297.db2.gz SPBRCYXHMGVJIX-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121338089 494708771 /nfs/dbraw/zinc/70/87/71/494708771.db2.gz KTQNBSITQPLXGC-ZDUSSCGKSA-N 1 2 359.407 3.005 20 5 FGBDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092728434 494726291 /nfs/dbraw/zinc/72/62/91/494726291.db2.gz AODVTFSGDRQJDB-QGZVFWFLSA-N 1 2 366.425 3.446 20 5 FGBDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092728434 494726296 /nfs/dbraw/zinc/72/62/96/494726296.db2.gz AODVTFSGDRQJDB-QGZVFWFLSA-N 1 2 366.425 3.446 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000075537578 494789561 /nfs/dbraw/zinc/78/95/61/494789561.db2.gz XTPYLBQKSXJMAW-KRWDZBQOSA-N 1 2 365.393 3.434 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554882 494792127 /nfs/dbraw/zinc/79/21/27/494792127.db2.gz GAQNRPJQJYMXDS-QWHCGFSZSA-N 1 2 360.439 3.205 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646964 494809528 /nfs/dbraw/zinc/80/95/28/494809528.db2.gz RHOKLRQAKHUKJF-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646964 494809537 /nfs/dbraw/zinc/80/95/37/494809537.db2.gz RHOKLRQAKHUKJF-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347355 494820419 /nfs/dbraw/zinc/82/04/19/494820419.db2.gz YCKVERUGJGCJQW-CYBMUJFWSA-N 1 2 373.409 3.030 20 5 FGBDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347355 494820421 /nfs/dbraw/zinc/82/04/21/494820421.db2.gz YCKVERUGJGCJQW-CYBMUJFWSA-N 1 2 373.409 3.030 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000027459444 494868746 /nfs/dbraw/zinc/86/87/46/494868746.db2.gz DYOVTOIVQIMXTD-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000132520207 494887091 /nfs/dbraw/zinc/88/70/91/494887091.db2.gz RVZBLKSKJRMZKY-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000132520207 494887096 /nfs/dbraw/zinc/88/70/96/494887096.db2.gz RVZBLKSKJRMZKY-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO Cc1ccc(F)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000093608029 494902913 /nfs/dbraw/zinc/90/29/13/494902913.db2.gz BQPPSTWFAWADGS-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000093909021 494933773 /nfs/dbraw/zinc/93/37/73/494933773.db2.gz ISZHYYXXHVWMND-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000574365241 505755647 /nfs/dbraw/zinc/75/56/47/505755647.db2.gz YNPKGMXCOXRRIJ-DOTOQJQBSA-N 1 2 374.441 3.496 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000574365241 505755651 /nfs/dbraw/zinc/75/56/51/505755651.db2.gz YNPKGMXCOXRRIJ-DOTOQJQBSA-N 1 2 374.441 3.496 20 5 FGBDLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000111376500 495069445 /nfs/dbraw/zinc/06/94/45/495069445.db2.gz JQHLUOIZRSZYQQ-SMDDNHRTSA-N 1 2 360.439 3.070 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119034744 495076369 /nfs/dbraw/zinc/07/63/69/495076369.db2.gz BICXBRQJTLNZPN-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000119671995 495214927 /nfs/dbraw/zinc/21/49/27/495214927.db2.gz JUVOZEVHODGLEF-JTQLQIEISA-N 1 2 361.785 3.430 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103964027 495262504 /nfs/dbraw/zinc/26/25/04/495262504.db2.gz WJHLHMIDWVGELH-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CC[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000124646133 495321533 /nfs/dbraw/zinc/32/15/33/495321533.db2.gz KNTOQQGDQNUTHH-UHFFFAOYSA-N 1 2 359.401 3.309 20 5 FGBDLO CC[N@@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000124646133 495321537 /nfs/dbraw/zinc/32/15/37/495321537.db2.gz KNTOQQGDQNUTHH-UHFFFAOYSA-N 1 2 359.401 3.309 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3cccnc3)C3CC3)n2)c1 ZINC000124710939 495331013 /nfs/dbraw/zinc/33/10/13/495331013.db2.gz OJSQJNMTQMLFCE-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3cccnc3)C3CC3)n2)c1 ZINC000124710939 495331016 /nfs/dbraw/zinc/33/10/16/495331016.db2.gz OJSQJNMTQMLFCE-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+]2CCCC2)cc1 ZINC000130167666 495352124 /nfs/dbraw/zinc/35/21/24/495352124.db2.gz JBPVMWSCVRFQOR-GOSISDBHSA-N 1 2 369.421 3.176 20 5 FGBDLO O=[N+]([O-])c1cc(CNc2cc(CSCCO)cc[nH+]2)ccc1Cl ZINC000130200431 495355820 /nfs/dbraw/zinc/35/58/20/495355820.db2.gz MJZSGMVPSXSVBY-UHFFFAOYSA-N 1 2 353.831 3.481 20 5 FGBDLO Cc1cccn2cc(-c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)[nH+]c12 ZINC000136444556 495379916 /nfs/dbraw/zinc/37/99/16/495379916.db2.gz XLYSCTNLYFRMQJ-UHFFFAOYSA-N 1 2 362.349 3.193 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000130495120 495400886 /nfs/dbraw/zinc/40/08/86/495400886.db2.gz MWBOMSOCKOOIJI-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000130495120 495400888 /nfs/dbraw/zinc/40/08/88/495400888.db2.gz MWBOMSOCKOOIJI-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120858135 495472588 /nfs/dbraw/zinc/47/25/88/495472588.db2.gz FNPDKLJPHLDWNI-UHFFFAOYSA-N 1 2 371.441 3.161 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000176247748 495562735 /nfs/dbraw/zinc/56/27/35/495562735.db2.gz KQDLWEHMNBJYNK-CQSZACIVSA-N 1 2 352.847 3.235 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000176247748 495562742 /nfs/dbraw/zinc/56/27/42/495562742.db2.gz KQDLWEHMNBJYNK-CQSZACIVSA-N 1 2 352.847 3.235 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000147503524 495576011 /nfs/dbraw/zinc/57/60/11/495576011.db2.gz NDCAFFBCLANRAK-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO COc1ccc(C[NH+]2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154528889 495643359 /nfs/dbraw/zinc/64/33/59/495643359.db2.gz MTAWIQDRPHRVOH-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000154535877 495646756 /nfs/dbraw/zinc/64/67/56/495646756.db2.gz MPRYAULXTFYONG-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO CCOc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000182877931 495738567 /nfs/dbraw/zinc/73/85/67/495738567.db2.gz GUGWUFROLBGPQA-AWEZNQCLSA-N 1 2 372.425 3.398 20 5 FGBDLO CN(C(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186150394 495875450 /nfs/dbraw/zinc/87/54/50/495875450.db2.gz NDGGCQNYABHGCP-UHFFFAOYSA-N 1 2 351.406 3.105 20 5 FGBDLO CN(C(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186150394 495875455 /nfs/dbraw/zinc/87/54/55/495875455.db2.gz NDGGCQNYABHGCP-UHFFFAOYSA-N 1 2 351.406 3.105 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000180141291 495876781 /nfs/dbraw/zinc/87/67/81/495876781.db2.gz UKKZUVWLIUDIRJ-ZDUSSCGKSA-N 1 2 359.407 3.227 20 5 FGBDLO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183416361 495973651 /nfs/dbraw/zinc/97/36/51/495973651.db2.gz ISULZAANBYEVHZ-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc([N+](=O)[O-])c1 ZINC000180454401 496001829 /nfs/dbraw/zinc/00/18/29/496001829.db2.gz JBMDAEQBONHDPU-LLVKDONJSA-N 1 2 368.349 3.224 20 5 FGBDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183512749 496016552 /nfs/dbraw/zinc/01/65/52/496016552.db2.gz QESTYRULABDETC-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186617866 496075879 /nfs/dbraw/zinc/07/58/79/496075879.db2.gz ZVXLTIVBNBRQGF-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186617866 496075883 /nfs/dbraw/zinc/07/58/83/496075883.db2.gz ZVXLTIVBNBRQGF-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175245605 496306143 /nfs/dbraw/zinc/30/61/43/496306143.db2.gz XWQYLRGZFNOVNU-GHMZBOCLSA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178063203 496312094 /nfs/dbraw/zinc/31/20/94/496312094.db2.gz YDQHPPLZEJCUJL-LBPRGKRZSA-N 1 2 356.407 3.040 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000175324726 496340023 /nfs/dbraw/zinc/34/00/23/496340023.db2.gz WCDNHWWOEHSMFM-UHFFFAOYSA-N 1 2 350.378 3.273 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000178420273 496450195 /nfs/dbraw/zinc/45/01/95/496450195.db2.gz GNNWUKFRPMHZGM-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000181653111 496488601 /nfs/dbraw/zinc/48/86/01/496488601.db2.gz JLENXFQZSQVLQC-INIZCTEOSA-N 1 2 354.366 3.122 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000175680900 496498615 /nfs/dbraw/zinc/49/86/15/496498615.db2.gz XTAGTVWSESBASP-AWEZNQCLSA-N 1 2 367.409 3.154 20 5 FGBDLO O=[N+]([O-])c1cccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000181722032 496517401 /nfs/dbraw/zinc/51/74/01/496517401.db2.gz NRRJBRWJVUDOPV-UHFFFAOYSA-N 1 2 352.272 3.437 20 5 FGBDLO Cc1nccc(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000184763496 496523240 /nfs/dbraw/zinc/52/32/40/496523240.db2.gz IZYOJQXRIJRKSO-UHFFFAOYSA-N 1 2 355.442 3.139 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184867838 496565440 /nfs/dbraw/zinc/56/54/40/496565440.db2.gz ZDWFQMWNZWDCNG-INIZCTEOSA-N 1 2 352.394 3.128 20 5 FGBDLO CCc1cc(N2CCC[C@@H]2CC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000178854394 496595375 /nfs/dbraw/zinc/59/53/75/496595375.db2.gz VDPBYBQDAAMDJE-MRXNPFEDSA-N 1 2 370.409 3.146 20 5 FGBDLO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000158082084 496622801 /nfs/dbraw/zinc/62/28/01/496622801.db2.gz YMQHAAPORKUOST-ZDUSSCGKSA-N 1 2 368.368 3.340 20 5 FGBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185090031 496655128 /nfs/dbraw/zinc/65/51/28/496655128.db2.gz SCONFTCYENPLNI-PWSUYJOCSA-N 1 2 364.427 3.128 20 5 FGBDLO CSc1cccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000188023929 496655751 /nfs/dbraw/zinc/65/57/51/496655751.db2.gz SBVQARWZSLHYDB-UHFFFAOYSA-N 1 2 370.434 3.405 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC4(C3)OCCO4)cs2)c1 ZINC000182079670 496661221 /nfs/dbraw/zinc/66/12/21/496661221.db2.gz UTFOTMLFAXMXNI-UHFFFAOYSA-N 1 2 361.423 3.057 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCC4(C3)OCCO4)cs2)c1 ZINC000182079670 496661223 /nfs/dbraw/zinc/66/12/23/496661223.db2.gz UTFOTMLFAXMXNI-UHFFFAOYSA-N 1 2 361.423 3.057 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cc(C)c([N+](=O)[O-])cc3F)c2cc1C ZINC000185103753 496662246 /nfs/dbraw/zinc/66/22/46/496662246.db2.gz TXNKEAYVSQMQEN-CQSZACIVSA-N 1 2 373.384 3.449 20 5 FGBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000185109422 496664152 /nfs/dbraw/zinc/66/41/52/496664152.db2.gz GSLKNBCSDOMRMP-JTQLQIEISA-N 1 2 354.819 3.384 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000154109078 496685396 /nfs/dbraw/zinc/68/53/96/496685396.db2.gz GCCHZHVLWPARFW-LLVKDONJSA-N 1 2 350.444 3.367 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)cc1F ZINC000580898602 505864114 /nfs/dbraw/zinc/86/41/14/505864114.db2.gz PQXOKWSKAJELTK-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000195056777 496807505 /nfs/dbraw/zinc/80/75/05/496807505.db2.gz DHAGTSBRJBOQQW-UHFFFAOYSA-N 1 2 350.378 3.390 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000273651207 496864160 /nfs/dbraw/zinc/86/41/60/496864160.db2.gz WJOQRJSZPPTWOJ-JGVFFNPUSA-N 1 2 369.834 3.086 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000277929606 496940402 /nfs/dbraw/zinc/94/04/02/496940402.db2.gz UEEGBUQALQKWSA-UHFFFAOYSA-N 1 2 364.789 3.073 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000264904146 497008089 /nfs/dbraw/zinc/00/80/89/497008089.db2.gz LCOXUVURYOIVSQ-UHFFFAOYSA-N 1 2 367.409 3.132 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000192517345 497138262 /nfs/dbraw/zinc/13/82/62/497138262.db2.gz YWZNFAVRUUZYEX-GXTWGEPZSA-N 1 2 368.846 3.189 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000192517345 497138268 /nfs/dbraw/zinc/13/82/68/497138268.db2.gz YWZNFAVRUUZYEX-GXTWGEPZSA-N 1 2 368.846 3.189 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634458 497171014 /nfs/dbraw/zinc/17/10/14/497171014.db2.gz NFNQHYMJTRGSEK-LSDHHAIUSA-N 1 2 353.422 3.393 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634458 497171017 /nfs/dbraw/zinc/17/10/17/497171017.db2.gz NFNQHYMJTRGSEK-LSDHHAIUSA-N 1 2 353.422 3.393 20 5 FGBDLO CN(C(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000193177607 497317836 /nfs/dbraw/zinc/31/78/36/497317836.db2.gz FBIQFLNTYXMFJB-UHFFFAOYSA-N 1 2 369.396 3.486 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000193177607 497317841 /nfs/dbraw/zinc/31/78/41/497317841.db2.gz FBIQFLNTYXMFJB-UHFFFAOYSA-N 1 2 369.396 3.486 20 5 FGBDLO Cc1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000255043454 497356258 /nfs/dbraw/zinc/35/62/58/497356258.db2.gz QLDURVPXNCAXIG-XQRVVYSFSA-N 1 2 358.467 3.191 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000271705033 497423837 /nfs/dbraw/zinc/42/38/37/497423837.db2.gz IJAMJVARWMDFGP-GRDNDAEWSA-N 1 2 357.414 3.145 20 5 FGBDLO CCC[C@@]1(COC)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193742748 497466180 /nfs/dbraw/zinc/46/61/80/497466180.db2.gz YYPQBYWKHUMMIC-IBGZPJMESA-N 1 2 372.425 3.202 20 5 FGBDLO CCn1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000267393165 497541245 /nfs/dbraw/zinc/54/12/45/497541245.db2.gz KWAWVJGVVPXSBX-UHFFFAOYSA-N 1 2 366.381 3.127 20 5 FGBDLO COc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc([N+](=O)[O-])c1C ZINC000190705688 497579417 /nfs/dbraw/zinc/57/94/17/497579417.db2.gz JZIKAPSYXDWERR-UHFFFAOYSA-N 1 2 373.409 3.204 20 5 FGBDLO CSc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000194281017 497622466 /nfs/dbraw/zinc/62/24/66/497622466.db2.gz MBKARISMXOOROK-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO CC(C)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000194336526 497638053 /nfs/dbraw/zinc/63/80/53/497638053.db2.gz LUPANADDZUHCEU-OAHLLOKOSA-N 1 2 363.458 3.449 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ncnn1C ZINC000276729989 497638950 /nfs/dbraw/zinc/63/89/50/497638950.db2.gz QNYKTTHXOVJXDJ-SNVBAGLBSA-N 1 2 361.789 3.488 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272477438 497639246 /nfs/dbraw/zinc/63/92/46/497639246.db2.gz BLTJSYYUIAHFJY-GOSISDBHSA-N 1 2 358.442 3.357 20 5 FGBDLO Cc1ccccc1[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497564 497644083 /nfs/dbraw/zinc/64/40/83/497644083.db2.gz GGRPXRVOYGLRNJ-RTBURBONSA-N 1 2 366.421 3.049 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272686053 497702117 /nfs/dbraw/zinc/70/21/17/497702117.db2.gz SSLVIPZWYQHIMM-ZDUSSCGKSA-N 1 2 372.406 3.280 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000272686053 497702120 /nfs/dbraw/zinc/70/21/20/497702120.db2.gz SSLVIPZWYQHIMM-ZDUSSCGKSA-N 1 2 372.406 3.280 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000575121024 505925634 /nfs/dbraw/zinc/92/56/34/505925634.db2.gz YMWUUBMMVAZKMS-CHWSQXEVSA-N 1 2 358.398 3.349 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000575121024 505925636 /nfs/dbraw/zinc/92/56/36/505925636.db2.gz YMWUUBMMVAZKMS-CHWSQXEVSA-N 1 2 358.398 3.349 20 5 FGBDLO COCC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000191241287 497753833 /nfs/dbraw/zinc/75/38/33/497753833.db2.gz DWNAJUUSTCNZCA-UHFFFAOYSA-N 1 2 359.426 3.426 20 5 FGBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000191241287 497753838 /nfs/dbraw/zinc/75/38/38/497753838.db2.gz DWNAJUUSTCNZCA-UHFFFAOYSA-N 1 2 359.426 3.426 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000575130998 505927775 /nfs/dbraw/zinc/92/77/75/505927775.db2.gz PUIFVEFTSIYQCF-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO CCN(Cc1cnn(C)c1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301088444 497946478 /nfs/dbraw/zinc/94/64/78/497946478.db2.gz GZTCBYZJKMJMIZ-UHFFFAOYSA-N 1 2 352.398 3.120 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000301171471 497983355 /nfs/dbraw/zinc/98/33/55/497983355.db2.gz DRMHMMVJXGCRMX-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000572448303 505971510 /nfs/dbraw/zinc/97/15/10/505971510.db2.gz YHGYDUWEXXNTOJ-UHFFFAOYSA-N 1 2 357.414 3.354 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000289584118 498204921 /nfs/dbraw/zinc/20/49/21/498204921.db2.gz PGQUGYVDRAOVSS-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000289584118 498204927 /nfs/dbraw/zinc/20/49/27/498204927.db2.gz PGQUGYVDRAOVSS-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccsc1 ZINC000286286084 498351314 /nfs/dbraw/zinc/35/13/14/498351314.db2.gz XLHZLTGHIYMNOX-CQSZACIVSA-N 1 2 359.411 3.020 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000294052100 498574046 /nfs/dbraw/zinc/57/40/46/498574046.db2.gz JLMSSXLSZDKRKB-KRWDZBQOSA-N 1 2 371.441 3.285 20 5 FGBDLO Cc1ccc(NCCCNc2cc(N3CCCC3)nc[nH+]2)c([N+](=O)[O-])c1 ZINC000302889093 498619648 /nfs/dbraw/zinc/61/96/48/498619648.db2.gz MYNRIWDXBQQRSM-UHFFFAOYSA-N 1 2 356.430 3.208 20 5 FGBDLO Cc1ccc(NCCCNc2cc(N3CCCC3)[nH+]cn2)c([N+](=O)[O-])c1 ZINC000302889093 498619649 /nfs/dbraw/zinc/61/96/49/498619649.db2.gz MYNRIWDXBQQRSM-UHFFFAOYSA-N 1 2 356.430 3.208 20 5 FGBDLO C[C@]12CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298279718 498720028 /nfs/dbraw/zinc/72/00/28/498720028.db2.gz OMCFBXDBRHPGJY-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298279718 498720035 /nfs/dbraw/zinc/72/00/35/498720035.db2.gz OMCFBXDBRHPGJY-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccn1 ZINC000287467320 498767552 /nfs/dbraw/zinc/76/75/52/498767552.db2.gz ROPMURYDUHWSNL-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccn1 ZINC000287467320 498767547 /nfs/dbraw/zinc/76/75/47/498767547.db2.gz ROPMURYDUHWSNL-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366099723 498774973 /nfs/dbraw/zinc/77/49/73/498774973.db2.gz ZGWSGBKRQNTEQX-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366099723 498774976 /nfs/dbraw/zinc/77/49/76/498774976.db2.gz ZGWSGBKRQNTEQX-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000327669257 498861218 /nfs/dbraw/zinc/86/12/18/498861218.db2.gz KVSBOGCDBKLSRV-HNNXBMFYSA-N 1 2 364.398 3.051 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000363608773 498902304 /nfs/dbraw/zinc/90/23/04/498902304.db2.gz JNSVHXPZRBMAJH-ZDUSSCGKSA-N 1 2 357.414 3.277 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363608773 498902309 /nfs/dbraw/zinc/90/23/09/498902309.db2.gz JNSVHXPZRBMAJH-ZDUSSCGKSA-N 1 2 357.414 3.277 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc(F)cnc2Cl)c([N+](=O)[O-])cc1OC ZINC000295191173 498937363 /nfs/dbraw/zinc/93/73/63/498937363.db2.gz XIVLWAYHNGSUPD-UHFFFAOYSA-N 1 2 355.753 3.089 20 5 FGBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000370029931 499168723 /nfs/dbraw/zinc/16/87/23/499168723.db2.gz UPEFRXNOXADMCQ-SFHVURJKSA-N 1 2 373.363 3.186 20 5 FGBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000370029931 499168725 /nfs/dbraw/zinc/16/87/25/499168725.db2.gz UPEFRXNOXADMCQ-SFHVURJKSA-N 1 2 373.363 3.186 20 5 FGBDLO COc1cc(C[NH2+]Cc2ncoc2-c2ccccc2)c([N+](=O)[O-])cc1O ZINC000372786958 499175154 /nfs/dbraw/zinc/17/51/54/499175154.db2.gz KPYURXRHQUAMQW-UHFFFAOYSA-N 1 2 355.350 3.254 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000370094040 499179203 /nfs/dbraw/zinc/17/92/03/499179203.db2.gz LQUWEBZRKCDMAX-KRWDZBQOSA-N 1 2 367.833 3.222 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000370094040 499179205 /nfs/dbraw/zinc/17/92/05/499179205.db2.gz LQUWEBZRKCDMAX-KRWDZBQOSA-N 1 2 367.833 3.222 20 5 FGBDLO Cc1nnc2n1CCC[C@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000370267206 499203983 /nfs/dbraw/zinc/20/39/83/499203983.db2.gz CNMFKCRQASRWSD-OAHLLOKOSA-N 1 2 370.438 3.243 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000370622512 499236487 /nfs/dbraw/zinc/23/64/87/499236487.db2.gz ORPYTLSBSRYMOT-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000370622512 499236489 /nfs/dbraw/zinc/23/64/89/499236489.db2.gz ORPYTLSBSRYMOT-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nn2)c1 ZINC000370661617 499241264 /nfs/dbraw/zinc/24/12/64/499241264.db2.gz USAZQDORXMSEEV-AWEZNQCLSA-N 1 2 367.409 3.343 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](O)c4ccccc4C3)o2)cc1 ZINC000367926086 499246399 /nfs/dbraw/zinc/24/63/99/499246399.db2.gz HXXDGBNHDNWVKV-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](O)c4ccccc4C3)o2)cc1 ZINC000367926086 499246401 /nfs/dbraw/zinc/24/64/01/499246401.db2.gz HXXDGBNHDNWVKV-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370855197 499262816 /nfs/dbraw/zinc/26/28/16/499262816.db2.gz IJJFCORIXKTJEQ-OAHLLOKOSA-N 1 2 371.422 3.037 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CCC2 ZINC000368384743 499291232 /nfs/dbraw/zinc/29/12/32/499291232.db2.gz XJAANLDQZNERIU-CQSZACIVSA-N 1 2 357.414 3.416 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)C1CCC1 ZINC000371721278 499358696 /nfs/dbraw/zinc/35/86/96/499358696.db2.gz LLBQMUXKFFYCSV-UHFFFAOYSA-N 1 2 351.834 3.129 20 5 FGBDLO CCCC(=O)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000372377800 499426234 /nfs/dbraw/zinc/42/62/34/499426234.db2.gz UWUCIOMNDDNAEF-UHFFFAOYSA-N 1 2 372.425 3.084 20 5 FGBDLO CCCC(=O)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000372377800 499426236 /nfs/dbraw/zinc/42/62/36/499426236.db2.gz UWUCIOMNDDNAEF-UHFFFAOYSA-N 1 2 372.425 3.084 20 5 FGBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C2 ZINC000372943406 499444095 /nfs/dbraw/zinc/44/40/95/499444095.db2.gz GIGWUDLZIWJOFU-CYBMUJFWSA-N 1 2 374.466 3.345 20 5 FGBDLO CSc1cccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000375320666 499506772 /nfs/dbraw/zinc/50/67/72/499506772.db2.gz SQGORZGZLWYZST-ZDUSSCGKSA-N 1 2 372.450 3.111 20 5 FGBDLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404269 499514709 /nfs/dbraw/zinc/51/47/09/499514709.db2.gz NTVIVIJFETVKIJ-TZMCWYRMSA-N 1 2 365.459 3.182 20 5 FGBDLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404269 499514711 /nfs/dbraw/zinc/51/47/11/499514711.db2.gz NTVIVIJFETVKIJ-TZMCWYRMSA-N 1 2 365.459 3.182 20 5 FGBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488791 499523359 /nfs/dbraw/zinc/52/33/59/499523359.db2.gz BLWBPGOFICXAOH-WBVHZDCISA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488791 499523361 /nfs/dbraw/zinc/52/33/61/499523361.db2.gz BLWBPGOFICXAOH-WBVHZDCISA-N 1 2 374.393 3.007 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)C1 ZINC000378518393 499526830 /nfs/dbraw/zinc/52/68/30/499526830.db2.gz RXQDIBQTRLCHTE-UHFFFAOYSA-N 1 2 360.373 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376551177 499617681 /nfs/dbraw/zinc/61/76/81/499617681.db2.gz HXWNEPORTCONEI-ACJLOTCBSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376551177 499617682 /nfs/dbraw/zinc/61/76/82/499617682.db2.gz HXWNEPORTCONEI-ACJLOTCBSA-N 1 2 354.410 3.320 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000411953892 499806216 /nfs/dbraw/zinc/80/62/16/499806216.db2.gz WWFDDFVWJAOJDL-UHFFFAOYSA-N 1 2 353.378 3.142 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000411953892 499806218 /nfs/dbraw/zinc/80/62/18/499806218.db2.gz WWFDDFVWJAOJDL-UHFFFAOYSA-N 1 2 353.378 3.142 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC000411978736 499808795 /nfs/dbraw/zinc/80/87/95/499808795.db2.gz HSCLJTNGMFDISA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC000411978736 499808797 /nfs/dbraw/zinc/80/87/97/499808797.db2.gz HSCLJTNGMFDISA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000412697271 499877047 /nfs/dbraw/zinc/87/70/47/499877047.db2.gz LODCAGCHDSTTBU-ZDUSSCGKSA-N 1 2 359.451 3.311 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000412697271 499877049 /nfs/dbraw/zinc/87/70/49/499877049.db2.gz LODCAGCHDSTTBU-ZDUSSCGKSA-N 1 2 359.451 3.311 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCC4(CCOCC4)[C@H]3O)c2c1 ZINC000413297851 499938601 /nfs/dbraw/zinc/93/86/01/499938601.db2.gz RVEZEBBXHOIBCH-PBHICJAKSA-N 1 2 357.410 3.123 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](c4ccccc4)[C@](F)(CO)C3)c2c1 ZINC000413317442 499940521 /nfs/dbraw/zinc/94/05/21/499940521.db2.gz QVUFHGFZROLSGF-AZUAARDMSA-N 1 2 367.380 3.447 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000428980738 499972486 /nfs/dbraw/zinc/97/24/86/499972486.db2.gz VTPCZTQHXKMKTG-UHFFFAOYSA-N 1 2 373.457 3.284 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429124525 500007819 /nfs/dbraw/zinc/00/78/19/500007819.db2.gz AZBFVWUJBPLEHI-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429124525 500007822 /nfs/dbraw/zinc/00/78/22/500007822.db2.gz AZBFVWUJBPLEHI-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394870 500092588 /nfs/dbraw/zinc/09/25/88/500092588.db2.gz MAOTXJKQGATANI-UHFFFAOYSA-N 1 2 353.220 3.113 20 5 FGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394870 500092592 /nfs/dbraw/zinc/09/25/92/500092592.db2.gz MAOTXJKQGATANI-UHFFFAOYSA-N 1 2 353.220 3.113 20 5 FGBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481161 500119224 /nfs/dbraw/zinc/11/92/24/500119224.db2.gz RPORQEUGEBHXFL-HNNXBMFYSA-N 1 2 371.231 3.132 20 5 FGBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481161 500119227 /nfs/dbraw/zinc/11/92/27/500119227.db2.gz RPORQEUGEBHXFL-HNNXBMFYSA-N 1 2 371.231 3.132 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000421770077 500145210 /nfs/dbraw/zinc/14/52/10/500145210.db2.gz JHPIHGHPGZIVOO-INIZCTEOSA-N 1 2 368.437 3.126 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430250601 500215253 /nfs/dbraw/zinc/21/52/53/500215253.db2.gz AUPLKMAMRQTCQF-DOXZYTNZSA-N 1 2 364.442 3.152 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430250601 500215256 /nfs/dbraw/zinc/21/52/56/500215256.db2.gz AUPLKMAMRQTCQF-DOXZYTNZSA-N 1 2 364.442 3.152 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447685991 500646212 /nfs/dbraw/zinc/64/62/12/500646212.db2.gz OHTUNKVSIBWKPB-UHFFFAOYSA-N 1 2 351.235 3.003 20 5 FGBDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000433221171 500649897 /nfs/dbraw/zinc/64/98/97/500649897.db2.gz SFAREIIDBWYWAH-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850207 500706434 /nfs/dbraw/zinc/70/64/34/500706434.db2.gz QENTZWFOJOCINF-GDBMZVCRSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850207 500706438 /nfs/dbraw/zinc/70/64/38/500706438.db2.gz QENTZWFOJOCINF-GDBMZVCRSA-N 1 2 369.421 3.247 20 5 FGBDLO Cc1ccc(C)c(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444648201 500873618 /nfs/dbraw/zinc/87/36/18/500873618.db2.gz GQCVKLLYNOQZMF-UHFFFAOYSA-N 1 2 365.437 3.410 20 5 FGBDLO CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2ccccn21 ZINC000444678687 500877620 /nfs/dbraw/zinc/87/76/20/500877620.db2.gz YAJFJNMOGAHNFK-CQSZACIVSA-N 1 2 365.397 3.145 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431598 501000935 /nfs/dbraw/zinc/00/09/35/501000935.db2.gz YNOHGGYZQSZGKL-AZUAARDMSA-N 1 2 374.412 3.294 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431598 501000937 /nfs/dbraw/zinc/00/09/37/501000937.db2.gz YNOHGGYZQSZGKL-AZUAARDMSA-N 1 2 374.412 3.294 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000440509629 501017505 /nfs/dbraw/zinc/01/75/05/501017505.db2.gz OUXDDMCMNHYMNW-AWEZNQCLSA-N 1 2 373.457 3.154 20 5 FGBDLO CCCc1ncc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000449615061 501043851 /nfs/dbraw/zinc/04/38/51/501043851.db2.gz XYRYDRCNACCNDF-KRWDZBQOSA-N 1 2 355.398 3.148 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000445961074 501055397 /nfs/dbraw/zinc/05/53/97/501055397.db2.gz HCTXEJYXICLDRZ-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000446179231 501085850 /nfs/dbraw/zinc/08/58/50/501085850.db2.gz IQEJFIJVERZHCP-ABAIWWIYSA-N 1 2 362.817 3.476 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441101582 501088486 /nfs/dbraw/zinc/08/84/86/501088486.db2.gz KOBXMCCHEJFITJ-HNNXBMFYSA-N 1 2 358.369 3.396 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441101582 501088489 /nfs/dbraw/zinc/08/84/89/501088489.db2.gz KOBXMCCHEJFITJ-HNNXBMFYSA-N 1 2 358.369 3.396 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441497558 501148841 /nfs/dbraw/zinc/14/88/41/501148841.db2.gz CCYFGDHNRIGMFX-MGPUTAFESA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441497558 501148846 /nfs/dbraw/zinc/14/88/46/501148846.db2.gz CCYFGDHNRIGMFX-MGPUTAFESA-N 1 2 372.421 3.444 20 5 FGBDLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000451551706 501321477 /nfs/dbraw/zinc/32/14/77/501321477.db2.gz URLRTZBATMYDQT-AWEZNQCLSA-N 1 2 360.439 3.389 20 5 FGBDLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000451551706 501321479 /nfs/dbraw/zinc/32/14/79/501321479.db2.gz URLRTZBATMYDQT-AWEZNQCLSA-N 1 2 360.439 3.389 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(C2CCCCC2)C1 ZINC000452159096 501448287 /nfs/dbraw/zinc/44/82/87/501448287.db2.gz FLUDCMOSGAOAFW-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO O=C(NC[C@@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452296387 501473204 /nfs/dbraw/zinc/47/32/04/501473204.db2.gz BPNHQFIOIITEJN-ZDUSSCGKSA-N 1 2 364.352 3.336 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1[C@@H](C)CO ZINC000456737973 501590066 /nfs/dbraw/zinc/59/00/66/501590066.db2.gz XVVBXKYHIRPCBP-NSHDSACASA-N 1 2 368.393 3.367 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459478388 501660387 /nfs/dbraw/zinc/66/03/87/501660387.db2.gz IEFOLJRDKHFHHT-UHFFFAOYSA-N 1 2 364.405 3.171 20 5 FGBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000459559499 501676496 /nfs/dbraw/zinc/67/64/96/501676496.db2.gz KMVZRDOOKSBQPT-SFHVURJKSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000459559499 501676497 /nfs/dbraw/zinc/67/64/97/501676497.db2.gz KMVZRDOOKSBQPT-SFHVURJKSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000474277727 501772823 /nfs/dbraw/zinc/77/28/23/501772823.db2.gz UGEZJTXSCMIHRA-LJQANCHMSA-N 1 2 356.422 3.474 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000474277727 501772829 /nfs/dbraw/zinc/77/28/29/501772829.db2.gz UGEZJTXSCMIHRA-LJQANCHMSA-N 1 2 356.422 3.474 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481478835 501786464 /nfs/dbraw/zinc/78/64/64/501786464.db2.gz ZMYQQUUXCAXAFQ-UHFFFAOYSA-N 1 2 352.394 3.132 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2[nH+]ccn21 ZINC000460325929 501792495 /nfs/dbraw/zinc/79/24/95/501792495.db2.gz BCTKMJKFQMRUOM-JTQLQIEISA-N 1 2 360.757 3.302 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481755021 501874542 /nfs/dbraw/zinc/87/45/42/501874542.db2.gz YNPSOQSSWPSOTJ-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481755021 501874545 /nfs/dbraw/zinc/87/45/45/501874545.db2.gz YNPSOQSSWPSOTJ-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)o1 ZINC000485687166 501901034 /nfs/dbraw/zinc/90/10/34/501901034.db2.gz MAWZCDJMBZYLFL-KRWDZBQOSA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)o1 ZINC000485687166 501901042 /nfs/dbraw/zinc/90/10/42/501901042.db2.gz MAWZCDJMBZYLFL-KRWDZBQOSA-N 1 2 372.421 3.482 20 5 FGBDLO CCCC(=O)NC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038048 506289146 /nfs/dbraw/zinc/28/91/46/506289146.db2.gz MEZLHVOFUZXGLK-AWEZNQCLSA-N 1 2 356.426 3.276 20 5 FGBDLO CCOC(=O)c1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602782685 506296321 /nfs/dbraw/zinc/29/63/21/506296321.db2.gz JPFYYCVAGOCGMU-UHFFFAOYSA-N 1 2 361.423 3.393 20 5 FGBDLO CCOC(=O)c1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602782685 506296332 /nfs/dbraw/zinc/29/63/32/506296332.db2.gz JPFYYCVAGOCGMU-UHFFFAOYSA-N 1 2 361.423 3.393 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479370820 502238667 /nfs/dbraw/zinc/23/86/67/502238667.db2.gz FEPRVBFVXRNQKN-UHFFFAOYSA-N 1 2 372.812 3.265 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000465398880 502250242 /nfs/dbraw/zinc/25/02/42/502250242.db2.gz GBIGMJOKKDNTSK-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000465398880 502250246 /nfs/dbraw/zinc/25/02/46/502250246.db2.gz GBIGMJOKKDNTSK-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000465398879 502250328 /nfs/dbraw/zinc/25/03/28/502250328.db2.gz GBIGMJOKKDNTSK-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000465398879 502250331 /nfs/dbraw/zinc/25/03/31/502250331.db2.gz GBIGMJOKKDNTSK-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000469741321 502528019 /nfs/dbraw/zinc/52/80/19/502528019.db2.gz JUBYCPAVZBRPSP-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000469741321 502528025 /nfs/dbraw/zinc/52/80/25/502528025.db2.gz JUBYCPAVZBRPSP-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO CCc1cc(NCCC(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462855951 502601114 /nfs/dbraw/zinc/60/11/14/502601114.db2.gz XGZMARFDUZXXLR-UHFFFAOYSA-N 1 2 372.425 3.180 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000488090660 502625144 /nfs/dbraw/zinc/62/51/44/502625144.db2.gz PASQHUZODBGVCY-MRXNPFEDSA-N 1 2 365.437 3.121 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1NCC1CC[NH+](CC(F)F)CC1)CCCC2 ZINC000596238247 506325025 /nfs/dbraw/zinc/32/50/25/506325025.db2.gz FDXKTCXPLXBCBA-UHFFFAOYSA-N 1 2 354.401 3.258 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000470171000 502691947 /nfs/dbraw/zinc/69/19/47/502691947.db2.gz DGZXTWMHGGCWBT-QINSGFPZSA-N 1 2 355.394 3.049 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000593006060 506331517 /nfs/dbraw/zinc/33/15/17/506331517.db2.gz DVSFOUXRBQRRGC-AUUYWEPGSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000593006060 506331519 /nfs/dbraw/zinc/33/15/19/506331519.db2.gz DVSFOUXRBQRRGC-AUUYWEPGSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000593006064 506331544 /nfs/dbraw/zinc/33/15/44/506331544.db2.gz DVSFOUXRBQRRGC-LIRRHRJNSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000593006064 506331546 /nfs/dbraw/zinc/33/15/46/506331546.db2.gz DVSFOUXRBQRRGC-LIRRHRJNSA-N 1 2 370.405 3.343 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000477346983 502749621 /nfs/dbraw/zinc/74/96/21/502749621.db2.gz CWZIYHOKLDTVKI-UHFFFAOYSA-N 1 2 367.409 3.069 20 5 FGBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000484916029 502775653 /nfs/dbraw/zinc/77/56/53/502775653.db2.gz JDAXLOMTJJHLML-UHFFFAOYSA-N 1 2 351.204 3.430 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505470316 502910233 /nfs/dbraw/zinc/91/02/33/502910233.db2.gz ZNGFHGLNDJGQBT-INIZCTEOSA-N 1 2 363.776 3.174 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@@H+]3CCNC(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000513724437 503010055 /nfs/dbraw/zinc/01/00/55/503010055.db2.gz HDNWUSGARVZSGJ-UHFFFAOYSA-N 1 2 371.462 3.376 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@H+]3CCNC(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000513724437 503010061 /nfs/dbraw/zinc/01/00/61/503010061.db2.gz HDNWUSGARVZSGJ-UHFFFAOYSA-N 1 2 371.462 3.376 20 5 FGBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513763422 503018549 /nfs/dbraw/zinc/01/85/49/503018549.db2.gz XRMLMHDUAVFZAS-LJQANCHMSA-N 1 2 365.437 3.144 20 5 FGBDLO Cc1sc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000514001727 503064971 /nfs/dbraw/zinc/06/49/71/503064971.db2.gz NCKCPFONXZXLQG-CYBMUJFWSA-N 1 2 365.842 3.405 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000511026543 503237135 /nfs/dbraw/zinc/23/71/35/503237135.db2.gz HQWKZJQULMDGRG-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO O=C1COc2ccc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2N1 ZINC000507243674 503258593 /nfs/dbraw/zinc/25/85/93/503258593.db2.gz NLYVZKILSBJJPH-UHFFFAOYSA-N 1 2 353.378 3.090 20 5 FGBDLO O=C1COc2ccc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2N1 ZINC000507243674 503258596 /nfs/dbraw/zinc/25/85/96/503258596.db2.gz NLYVZKILSBJJPH-UHFFFAOYSA-N 1 2 353.378 3.090 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000507375293 503289072 /nfs/dbraw/zinc/28/90/72/503289072.db2.gz NAKIMMCBJMSRGI-UHFFFAOYSA-N 1 2 356.426 3.064 20 5 FGBDLO CCOc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492753370 503383050 /nfs/dbraw/zinc/38/30/50/503383050.db2.gz ZVDXAIFQLMNKHU-UHFFFAOYSA-N 1 2 372.347 3.378 20 5 FGBDLO CCOc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492753370 503383056 /nfs/dbraw/zinc/38/30/56/503383056.db2.gz ZVDXAIFQLMNKHU-UHFFFAOYSA-N 1 2 372.347 3.378 20 5 FGBDLO CCc1cc(N[C@@H](C)[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503300752 503386567 /nfs/dbraw/zinc/38/65/67/503386567.db2.gz FTOPYSLPPXLTQN-ZFWWWQNUSA-N 1 2 356.426 3.263 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000492835333 503387402 /nfs/dbraw/zinc/38/74/02/503387402.db2.gz SWTVECYLPIGCCK-MRXNPFEDSA-N 1 2 355.438 3.488 20 5 FGBDLO CCO[C@H](C)c1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602965718 506368876 /nfs/dbraw/zinc/36/88/76/506368876.db2.gz MNYMKJBZTLVTIH-SJKOYZFVSA-N 1 2 365.455 3.146 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3cccc(Cl)c3F)nc2c1 ZINC000499942219 503516593 /nfs/dbraw/zinc/51/65/93/503516593.db2.gz FUYNDBYSHUODBC-CYBMUJFWSA-N 1 2 365.748 3.352 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494660678 503585635 /nfs/dbraw/zinc/58/56/35/503585635.db2.gz GMPAXZYZEUXYAS-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494660678 503585639 /nfs/dbraw/zinc/58/56/39/503585639.db2.gz GMPAXZYZEUXYAS-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C)cn1 ZINC000540476313 503783576 /nfs/dbraw/zinc/78/35/76/503783576.db2.gz DMMDRJYBWUYURB-MRXNPFEDSA-N 1 2 370.413 3.255 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537059771 503791051 /nfs/dbraw/zinc/79/10/51/503791051.db2.gz YRJRDCZVORFPKH-CYBMUJFWSA-N 1 2 367.409 3.313 20 5 FGBDLO CC(C)OCCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000537617775 503976889 /nfs/dbraw/zinc/97/68/89/503976889.db2.gz ZVPLBQLYNMOLPQ-UHFFFAOYSA-N 1 2 373.453 3.397 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000541116926 504013749 /nfs/dbraw/zinc/01/37/49/504013749.db2.gz OHODPVABDBOPAH-UHFFFAOYSA-N 1 2 366.377 3.238 20 5 FGBDLO Cc1cc(NCc2ccc(CO)c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534513444 504160846 /nfs/dbraw/zinc/16/08/46/504160846.db2.gz OHAJMOFUBOHUTH-UHFFFAOYSA-N 1 2 368.368 3.026 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000544529946 504164014 /nfs/dbraw/zinc/16/40/14/504164014.db2.gz QOKNGXLEEQLJMX-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000544529946 504164016 /nfs/dbraw/zinc/16/40/16/504164016.db2.gz QOKNGXLEEQLJMX-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1[N+](=O)[O-] ZINC000544575934 504179338 /nfs/dbraw/zinc/17/93/38/504179338.db2.gz VRHZGZBWKVQYSJ-IBGZPJMESA-N 1 2 350.378 3.273 20 5 FGBDLO Cc1c(Br)c(N2CCC(c3c[nH]c[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000541579063 504185306 /nfs/dbraw/zinc/18/53/06/504185306.db2.gz SZIFSQDBSQQLEZ-UHFFFAOYSA-N 1 2 366.219 3.168 20 5 FGBDLO Cc1c(Br)c(N2CCC(c3c[nH+]c[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000541579063 504185310 /nfs/dbraw/zinc/18/53/10/504185310.db2.gz SZIFSQDBSQQLEZ-UHFFFAOYSA-N 1 2 366.219 3.168 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000544608706 504190166 /nfs/dbraw/zinc/19/01/66/504190166.db2.gz XZMFALLQDRKQSZ-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000544608706 504190168 /nfs/dbraw/zinc/19/01/68/504190168.db2.gz XZMFALLQDRKQSZ-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO COc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)[nH+]cc1Br ZINC000538454757 504250783 /nfs/dbraw/zinc/25/07/83/504250783.db2.gz OEVMPPQCBKJLKA-UHFFFAOYSA-N 1 2 352.188 3.103 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787092 504254924 /nfs/dbraw/zinc/25/49/24/504254924.db2.gz HHXUQCYALASKOV-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c[nH+]1 ZINC000535034930 504322089 /nfs/dbraw/zinc/32/20/89/504322089.db2.gz FNMFQTUKVHKDHI-UHFFFAOYSA-N 1 2 354.391 3.404 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000538749481 504356473 /nfs/dbraw/zinc/35/64/73/504356473.db2.gz OTMKZKBHPNHRJL-HNNXBMFYSA-N 1 2 362.348 3.129 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000542143363 504379849 /nfs/dbraw/zinc/37/98/49/504379849.db2.gz RZXMHIIQSIRGIU-CYBMUJFWSA-N 1 2 358.394 3.395 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000542143363 504379851 /nfs/dbraw/zinc/37/98/51/504379851.db2.gz RZXMHIIQSIRGIU-CYBMUJFWSA-N 1 2 358.394 3.395 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCSC[C@@H]3CCO)cs2)c1 ZINC000538812588 504380608 /nfs/dbraw/zinc/38/06/08/504380608.db2.gz XGKYYMDBGCQQRA-HNNXBMFYSA-N 1 2 365.480 3.018 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCSC[C@@H]3CCO)cs2)c1 ZINC000538812588 504380615 /nfs/dbraw/zinc/38/06/15/504380615.db2.gz XGKYYMDBGCQQRA-HNNXBMFYSA-N 1 2 365.480 3.018 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000538944039 504426187 /nfs/dbraw/zinc/42/61/87/504426187.db2.gz ZNLDWWPPLZIVST-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000538944039 504426194 /nfs/dbraw/zinc/42/61/94/504426194.db2.gz ZNLDWWPPLZIVST-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO CCc1nc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000548622601 504499598 /nfs/dbraw/zinc/49/95/98/504499598.db2.gz ZQIMCZIUNWICTK-UHFFFAOYSA-N 1 2 357.395 3.360 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000539277235 504517531 /nfs/dbraw/zinc/51/75/31/504517531.db2.gz WENVLBWQPWDMQM-LBPRGKRZSA-N 1 2 363.439 3.396 20 5 FGBDLO COc1cc2c(cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OCO2 ZINC000545550030 504522584 /nfs/dbraw/zinc/52/25/84/504522584.db2.gz UYZANUVGBMFSCW-UHFFFAOYSA-N 1 2 356.378 3.497 20 5 FGBDLO COc1cc2c(cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OCO2 ZINC000545550030 504522589 /nfs/dbraw/zinc/52/25/89/504522589.db2.gz UYZANUVGBMFSCW-UHFFFAOYSA-N 1 2 356.378 3.497 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000539376373 504545570 /nfs/dbraw/zinc/54/55/70/504545570.db2.gz CVLLMMVYSLCFHU-INIZCTEOSA-N 1 2 372.356 3.261 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000539376375 504545918 /nfs/dbraw/zinc/54/59/18/504545918.db2.gz CVLLMMVYSLCFHU-MRXNPFEDSA-N 1 2 372.356 3.261 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)cn1 ZINC000520850751 504596416 /nfs/dbraw/zinc/59/64/16/504596416.db2.gz VZNBWJJMBCZXPL-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO COC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000539851816 504718186 /nfs/dbraw/zinc/71/81/86/504718186.db2.gz SBAKGCBPGVLLEF-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000539851816 504718190 /nfs/dbraw/zinc/71/81/90/504718190.db2.gz SBAKGCBPGVLLEF-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539924052 504739600 /nfs/dbraw/zinc/73/96/00/504739600.db2.gz JZIANPDPEIQVCN-AWEZNQCLSA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539924052 504739603 /nfs/dbraw/zinc/73/96/03/504739603.db2.gz JZIANPDPEIQVCN-AWEZNQCLSA-N 1 2 366.311 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000559285359 504821117 /nfs/dbraw/zinc/82/11/17/504821117.db2.gz IRVZTKAMDNHGER-UHFFFAOYSA-N 1 2 360.385 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000549613720 504859643 /nfs/dbraw/zinc/85/96/43/504859643.db2.gz WBGYLJVQFGHBFL-KRWDZBQOSA-N 1 2 371.441 3.285 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2[nH+]c1C1CC1 ZINC000549763725 504891361 /nfs/dbraw/zinc/89/13/61/504891361.db2.gz CHSJMIZYAGRCQY-UHFFFAOYSA-N 1 2 356.407 3.350 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000553712913 504989317 /nfs/dbraw/zinc/98/93/17/504989317.db2.gz OXJXBALBSNYKQS-UHFFFAOYSA-N 1 2 352.394 3.304 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000550306125 505017027 /nfs/dbraw/zinc/01/70/27/505017027.db2.gz QVQYTFQLEITTTI-GRYCIOLGSA-N 1 2 360.439 3.386 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000550306125 505017029 /nfs/dbraw/zinc/01/70/29/505017029.db2.gz QVQYTFQLEITTTI-GRYCIOLGSA-N 1 2 360.439 3.386 20 5 FGBDLO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000563046462 505032737 /nfs/dbraw/zinc/03/27/37/505032737.db2.gz AYBYKGBOOXOICI-CQSZACIVSA-N 1 2 363.414 3.219 20 5 FGBDLO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000563046462 505032740 /nfs/dbraw/zinc/03/27/40/505032740.db2.gz AYBYKGBOOXOICI-CQSZACIVSA-N 1 2 363.414 3.219 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000557476322 505145078 /nfs/dbraw/zinc/14/50/78/505145078.db2.gz MGEJDZIWVRSEOL-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000566590325 505213983 /nfs/dbraw/zinc/21/39/83/505213983.db2.gz QPNANKTZBRGNNF-UHFFFAOYSA-N 1 2 370.796 3.293 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000555109569 505351800 /nfs/dbraw/zinc/35/18/00/505351800.db2.gz SSZZDYRJUQZROU-UHFFFAOYSA-N 1 2 352.350 3.051 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1nc2ccccc2s1 ZINC000564350422 505392196 /nfs/dbraw/zinc/39/21/96/505392196.db2.gz WWSFVXLAERCGSF-UHFFFAOYSA-N 1 2 370.434 3.318 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1nc2ccccc2s1 ZINC000564350422 505392198 /nfs/dbraw/zinc/39/21/98/505392198.db2.gz WWSFVXLAERCGSF-UHFFFAOYSA-N 1 2 370.434 3.318 20 5 FGBDLO C[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)n1cc[nH+]c1 ZINC000567357544 505440105 /nfs/dbraw/zinc/44/01/05/505440105.db2.gz PKTGMFBQINBYKT-NSHDSACASA-N 1 2 354.370 3.003 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CCc2ccccc2)no1 ZINC000558740403 505480207 /nfs/dbraw/zinc/48/02/07/505480207.db2.gz ISNQNHNBPZIFNY-UHFFFAOYSA-N 1 2 366.421 3.438 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CCc2ccccc2)no1 ZINC000558740403 505480210 /nfs/dbraw/zinc/48/02/10/505480210.db2.gz ISNQNHNBPZIFNY-UHFFFAOYSA-N 1 2 366.421 3.438 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522830 505507667 /nfs/dbraw/zinc/50/76/67/505507667.db2.gz HYTAUMPDVXCXHL-UYZDIKGJSA-N 1 2 353.426 3.483 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522830 505507670 /nfs/dbraw/zinc/50/76/70/505507670.db2.gz HYTAUMPDVXCXHL-UYZDIKGJSA-N 1 2 353.426 3.483 20 5 FGBDLO CC(=O)c1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000555899498 505536327 /nfs/dbraw/zinc/53/63/27/505536327.db2.gz UCUFZPQSQQKLQC-FQEVSTJZSA-N 1 2 369.421 3.283 20 5 FGBDLO Cc1cc(N2C[C@]3(C)COC[C@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596444011 506407667 /nfs/dbraw/zinc/40/76/67/506407667.db2.gz SKCDCRWUVZPWBN-KDURUIRLSA-N 1 2 354.410 3.223 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449250 506410181 /nfs/dbraw/zinc/41/01/81/506410181.db2.gz AHXQSZPNSRGESQ-UHFFFAOYSA-N 1 2 359.361 3.051 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174589 506472973 /nfs/dbraw/zinc/47/29/73/506472973.db2.gz KJSPOZPHPBVLRJ-INIZCTEOSA-N 1 2 373.384 3.134 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174589 506472975 /nfs/dbraw/zinc/47/29/75/506472975.db2.gz KJSPOZPHPBVLRJ-INIZCTEOSA-N 1 2 373.384 3.134 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511560 506478967 /nfs/dbraw/zinc/47/89/67/506478967.db2.gz AEFJYHBWVWNZFO-GRYCIOLGSA-N 1 2 371.384 3.154 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511560 506478973 /nfs/dbraw/zinc/47/89/73/506478973.db2.gz AEFJYHBWVWNZFO-GRYCIOLGSA-N 1 2 371.384 3.154 20 5 FGBDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1(F)F ZINC000599514702 506482162 /nfs/dbraw/zinc/48/21/62/506482162.db2.gz YVHXFQIKDVYTGH-NXEZZACHSA-N 1 2 361.776 3.410 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599525668 506486227 /nfs/dbraw/zinc/48/62/27/506486227.db2.gz PHXGAPVLKODBFV-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599525668 506486232 /nfs/dbraw/zinc/48/62/32/506486232.db2.gz PHXGAPVLKODBFV-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000589517562 506576052 /nfs/dbraw/zinc/57/60/52/506576052.db2.gz NKSIVBIUUBEXPP-IBGZPJMESA-N 1 2 358.369 3.452 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000589517562 506576055 /nfs/dbraw/zinc/57/60/55/506576055.db2.gz NKSIVBIUUBEXPP-IBGZPJMESA-N 1 2 358.369 3.452 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000612610709 506650679 /nfs/dbraw/zinc/65/06/79/506650679.db2.gz GXZYXKOFZUIXOU-INIZCTEOSA-N 1 2 369.356 3.379 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597014816 506732693 /nfs/dbraw/zinc/73/26/93/506732693.db2.gz SKEMCXDWKGETKE-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597014816 506732694 /nfs/dbraw/zinc/73/26/94/506732694.db2.gz SKEMCXDWKGETKE-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO Nc1c(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097265 506772458 /nfs/dbraw/zinc/77/24/58/506772458.db2.gz FRXGODFLNKCFIN-LLVKDONJSA-N 1 2 364.793 3.313 20 5 FGBDLO CCN1C[C@H](C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC000609143998 506791114 /nfs/dbraw/zinc/79/11/14/506791114.db2.gz FSULZACEUJAGEZ-AWEZNQCLSA-N 1 2 359.401 3.453 20 5 FGBDLO CCN1C[C@H](C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC000609143998 506791122 /nfs/dbraw/zinc/79/11/22/506791122.db2.gz FSULZACEUJAGEZ-AWEZNQCLSA-N 1 2 359.401 3.453 20 5 FGBDLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000609179211 506803567 /nfs/dbraw/zinc/80/35/67/506803567.db2.gz GWDFFHXSINLJRU-MRXNPFEDSA-N 1 2 365.393 3.447 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000612990942 506852602 /nfs/dbraw/zinc/85/26/02/506852602.db2.gz KCMVMVUGUPWCQQ-UYTOFJLZSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000612990942 506852610 /nfs/dbraw/zinc/85/26/10/506852610.db2.gz KCMVMVUGUPWCQQ-UYTOFJLZSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000612991273 506854056 /nfs/dbraw/zinc/85/40/56/506854056.db2.gz JTSXUPFRUQUXHU-IVFUDNFBSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000612991273 506854062 /nfs/dbraw/zinc/85/40/62/506854062.db2.gz JTSXUPFRUQUXHU-IVFUDNFBSA-N 1 2 356.382 3.074 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609521756 506908492 /nfs/dbraw/zinc/90/84/92/506908492.db2.gz GUYUUWYOEJVILW-UHFFFAOYSA-N 1 2 365.393 3.202 20 5 FGBDLO O=C(C[N@@H+]1CCCC[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609706167 506978927 /nfs/dbraw/zinc/97/89/27/506978927.db2.gz SBSUIHLTUWSPNW-KRWDZBQOSA-N 1 2 355.394 3.304 20 5 FGBDLO O=C(C[N@H+]1CCCC[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609706167 506978938 /nfs/dbraw/zinc/97/89/38/506978938.db2.gz SBSUIHLTUWSPNW-KRWDZBQOSA-N 1 2 355.394 3.304 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000610200126 507135031 /nfs/dbraw/zinc/13/50/31/507135031.db2.gz RGLJMFQLFIAHSZ-ZDUSSCGKSA-N 1 2 362.455 3.244 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000597941470 507190383 /nfs/dbraw/zinc/19/03/83/507190383.db2.gz QHZBZZIYRPRFEP-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO Cn1c2ccc(CNc3ncnc4ccc([N+](=O)[O-])cc43)cc2[nH+]c1C1CC1 ZINC000594587113 507197066 /nfs/dbraw/zinc/19/70/66/507197066.db2.gz GVDLKSSTTNGGEU-UHFFFAOYSA-N 1 2 374.404 3.336 20 5 FGBDLO CC(C)Oc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000584242288 507234562 /nfs/dbraw/zinc/23/45/62/507234562.db2.gz NXTNUUZJAZYXAU-UHFFFAOYSA-N 1 2 367.409 3.056 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476243 507255404 /nfs/dbraw/zinc/25/54/04/507255404.db2.gz MCVFIRZJBXLMIP-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476243 507255409 /nfs/dbraw/zinc/25/54/09/507255409.db2.gz MCVFIRZJBXLMIP-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO CC(=O)Nc1cccc(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000584299101 507265890 /nfs/dbraw/zinc/26/58/90/507265890.db2.gz YDYDDQBWQPDGPM-GOSISDBHSA-N 1 2 365.393 3.488 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601136970 507273826 /nfs/dbraw/zinc/27/38/26/507273826.db2.gz OFTUHWQEGFGSOU-CQSZACIVSA-N 1 2 356.300 3.142 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3nccn3C)o2)c([N+](=O)[O-])c1 ZINC000594996681 507346386 /nfs/dbraw/zinc/34/63/86/507346386.db2.gz VBZGBTCDCJYYHZ-GFCCVEGCSA-N 1 2 356.382 3.448 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c([N+](=O)[O-])cc1O ZINC000594995551 507347287 /nfs/dbraw/zinc/34/72/87/507347287.db2.gz NLXUPFBMCZMGRR-UHFFFAOYSA-N 1 2 372.299 3.339 20 5 FGBDLO COCc1csc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595077891 507381541 /nfs/dbraw/zinc/38/15/41/507381541.db2.gz RAKAIJWCCFVWAD-QGZVFWFLSA-N 1 2 372.450 3.415 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541987 507400900 /nfs/dbraw/zinc/40/09/00/507400900.db2.gz GQFUCVNHWWVPTR-UYAOXDASSA-N 1 2 369.396 3.271 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541987 507400907 /nfs/dbraw/zinc/40/09/07/507400907.db2.gz GQFUCVNHWWVPTR-UYAOXDASSA-N 1 2 369.396 3.271 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598460745 507435993 /nfs/dbraw/zinc/43/59/93/507435993.db2.gz XDJNEYGURYBAFI-CQSZACIVSA-N 1 2 371.441 3.056 20 5 FGBDLO CSc1cccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000614415951 507502302 /nfs/dbraw/zinc/50/23/02/507502302.db2.gz HFRKLOZUKOSROO-UHFFFAOYSA-N 1 2 370.434 3.245 20 5 FGBDLO CN(C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000598647420 507531350 /nfs/dbraw/zinc/53/13/50/507531350.db2.gz AQZMLHYQBKIQRG-INIZCTEOSA-N 1 2 355.385 3.361 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595512832 507538837 /nfs/dbraw/zinc/53/88/37/507538837.db2.gz VYDPICPQVGLXMJ-SNVBAGLBSA-N 1 2 368.796 3.394 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595512832 507538838 /nfs/dbraw/zinc/53/88/38/507538838.db2.gz VYDPICPQVGLXMJ-SNVBAGLBSA-N 1 2 368.796 3.394 20 5 FGBDLO CC(C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602161517 507609929 /nfs/dbraw/zinc/60/99/29/507609929.db2.gz SGZRHVHMLMJGSM-CYBMUJFWSA-N 1 2 370.331 3.336 20 5 FGBDLO O=C1[C@@H]([NH+]2CCC(CC(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000585755792 507616740 /nfs/dbraw/zinc/61/67/40/507616740.db2.gz NTGIAGTVYBIAPG-HNNXBMFYSA-N 1 2 371.359 3.365 20 5 FGBDLO COC(=O)C[C@@H]1CCCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611338139 507627586 /nfs/dbraw/zinc/62/75/86/507627586.db2.gz ZEEZKZLCTSQJOY-INIZCTEOSA-N 1 2 370.409 3.282 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703490 507638063 /nfs/dbraw/zinc/63/80/63/507638063.db2.gz MBCPGUNYQRASQT-QZTJIDSGSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703490 507638071 /nfs/dbraw/zinc/63/80/71/507638071.db2.gz MBCPGUNYQRASQT-QZTJIDSGSA-N 1 2 355.369 3.286 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789015 507687244 /nfs/dbraw/zinc/68/72/44/507687244.db2.gz PANIZVKJKARYPZ-QGZVFWFLSA-N 1 2 361.442 3.123 20 5 FGBDLO COc1cc(C[NH2+]Cc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519479 507720066 /nfs/dbraw/zinc/72/00/66/507720066.db2.gz CTIKGHBLEYPHRJ-UHFFFAOYSA-N 1 2 373.381 3.302 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595911136 507739038 /nfs/dbraw/zinc/73/90/38/507739038.db2.gz NRFGNQPXDKQXLK-UHFFFAOYSA-N 1 2 367.405 3.163 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595911136 507739042 /nfs/dbraw/zinc/73/90/42/507739042.db2.gz NRFGNQPXDKQXLK-UHFFFAOYSA-N 1 2 367.405 3.163 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000588071530 507752625 /nfs/dbraw/zinc/75/26/25/507752625.db2.gz RECPRLMLNRIULB-GFCCVEGCSA-N 1 2 369.356 3.116 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c1[N+](=O)[O-] ZINC000291212855 568078737 /nfs/dbraw/zinc/07/87/37/568078737.db2.gz OFPHAIGSXKNCHA-UHFFFAOYSA-N 1 2 368.397 3.325 20 5 FGBDLO CCCC[N@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736453907 598501931 /nfs/dbraw/zinc/50/19/31/598501931.db2.gz SIDAADZHLKHWDZ-UHFFFAOYSA-N 1 2 368.401 3.150 20 5 FGBDLO CCCC[N@@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736453907 598501932 /nfs/dbraw/zinc/50/19/32/598501932.db2.gz SIDAADZHLKHWDZ-UHFFFAOYSA-N 1 2 368.401 3.150 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000172176703 705409674 /nfs/dbraw/zinc/40/96/74/705409674.db2.gz FHTUBVWCYCCFOM-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000172176703 705409680 /nfs/dbraw/zinc/40/96/80/705409680.db2.gz FHTUBVWCYCCFOM-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000178563327 705669223 /nfs/dbraw/zinc/66/92/23/705669223.db2.gz TXXULZKPOMDTOI-GOSISDBHSA-N 1 2 361.829 3.104 20 5 FGBDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000374092304 713899203 /nfs/dbraw/zinc/89/92/03/713899203.db2.gz NDDZLPZYYLUSSR-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548959 714192230 /nfs/dbraw/zinc/19/22/30/714192230.db2.gz SUIWFSPSGBNRMK-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548959 714192231 /nfs/dbraw/zinc/19/22/31/714192231.db2.gz SUIWFSPSGBNRMK-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H](OC(F)F)C3)c2)c1 ZINC000781153689 724532791 /nfs/dbraw/zinc/53/27/91/724532791.db2.gz YZILEWMIISDVGX-HNNXBMFYSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@H](OC(F)F)C3)c2)c1 ZINC000781153689 724532794 /nfs/dbraw/zinc/53/27/94/724532794.db2.gz YZILEWMIISDVGX-HNNXBMFYSA-N 1 2 352.341 3.119 20 5 FGBDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000726587804 722436180 /nfs/dbraw/zinc/43/61/80/722436180.db2.gz CTLFBQDKAYMZTM-LLVKDONJSA-N 1 2 365.411 3.247 20 5 FGBDLO COC(=O)C[C@H]1CCCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000726587804 722436181 /nfs/dbraw/zinc/43/61/81/722436181.db2.gz CTLFBQDKAYMZTM-LLVKDONJSA-N 1 2 365.411 3.247 20 5 FGBDLO Cc1[nH+]ccn1CCCN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746631778 722611449 /nfs/dbraw/zinc/61/14/49/722611449.db2.gz PNKJINVADKCFBG-UHFFFAOYSA-N 1 2 361.427 3.357 20 5 FGBDLO CCc1ccc([C@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753623518 722907472 /nfs/dbraw/zinc/90/74/72/722907472.db2.gz MJBKZJUSBYLXHM-LSDHHAIUSA-N 1 2 358.316 3.352 20 5 FGBDLO C[N@H+](CCc1ccccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000757885735 722980845 /nfs/dbraw/zinc/98/08/45/722980845.db2.gz KMPJUOISJJFJFO-UHFFFAOYSA-N 1 2 350.216 3.427 20 5 FGBDLO C[N@@H+](CCc1ccccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000757885735 722980846 /nfs/dbraw/zinc/98/08/46/722980846.db2.gz KMPJUOISJJFJFO-UHFFFAOYSA-N 1 2 350.216 3.427 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)c(OC(F)F)c1 ZINC000760467015 723057535 /nfs/dbraw/zinc/05/75/35/723057535.db2.gz ZZTWBRIOWOEACE-UHFFFAOYSA-N 1 2 353.325 3.111 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761226956 723134576 /nfs/dbraw/zinc/13/45/76/723134576.db2.gz TUIDVDSEDSECCT-UHFFFAOYSA-N 1 2 355.232 3.360 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000761226956 723134578 /nfs/dbraw/zinc/13/45/78/723134578.db2.gz TUIDVDSEDSECCT-UHFFFAOYSA-N 1 2 355.232 3.360 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000761252900 723137551 /nfs/dbraw/zinc/13/75/51/723137551.db2.gz NVWWSUHWTVARTH-INIZCTEOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000761252900 723137554 /nfs/dbraw/zinc/13/75/54/723137554.db2.gz NVWWSUHWTVARTH-INIZCTEOSA-N 1 2 359.813 3.486 20 5 FGBDLO Cc1nn(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000768907758 723671836 /nfs/dbraw/zinc/67/18/36/723671836.db2.gz MCRKYHUPOGGUCK-UHFFFAOYSA-N 1 2 350.369 3.290 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000770279994 723710093 /nfs/dbraw/zinc/71/00/93/723710093.db2.gz JSPJJCKZDBJVID-KBPBESRZSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000770279994 723710095 /nfs/dbraw/zinc/71/00/95/723710095.db2.gz JSPJJCKZDBJVID-KBPBESRZSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(CN3CCC[C@H](n4cc[nH+]c4)C3)c2c(Cl)c1 ZINC000774638157 723913097 /nfs/dbraw/zinc/91/30/97/723913097.db2.gz QFCYBPOKGKWQAZ-ZDUSSCGKSA-N 1 2 360.805 3.089 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000801525130 724310614 /nfs/dbraw/zinc/31/06/14/724310614.db2.gz PYMZRSNQMJZOAJ-UHFFFAOYSA-N 1 2 353.394 3.175 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000801525130 724310615 /nfs/dbraw/zinc/31/06/15/724310615.db2.gz PYMZRSNQMJZOAJ-UHFFFAOYSA-N 1 2 353.394 3.175 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239882 724369326 /nfs/dbraw/zinc/36/93/26/724369326.db2.gz OLSNXOPYCHIKRG-ZDUSSCGKSA-N 1 2 356.419 3.298 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239882 724369328 /nfs/dbraw/zinc/36/93/28/724369328.db2.gz OLSNXOPYCHIKRG-ZDUSSCGKSA-N 1 2 356.419 3.298 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805774736 725093805 /nfs/dbraw/zinc/09/38/05/725093805.db2.gz RVRKUKKSINZLKO-CQSZACIVSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805774736 725093808 /nfs/dbraw/zinc/09/38/08/725093808.db2.gz RVRKUKKSINZLKO-CQSZACIVSA-N 1 2 353.394 3.225 20 5 FGBDLO Cc1nsc(C)c1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816344486 727151401 /nfs/dbraw/zinc/15/14/01/727151401.db2.gz XEPPJBKJBAEVQQ-UHFFFAOYSA-N 1 2 358.379 3.211 20 5 FGBDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000820632620 729013009 /nfs/dbraw/zinc/01/30/09/729013009.db2.gz OHRMFRDKHBXPQE-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000820632620 729013011 /nfs/dbraw/zinc/01/30/11/729013011.db2.gz OHRMFRDKHBXPQE-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c[nH+]1 ZINC000832634921 729723871 /nfs/dbraw/zinc/72/38/71/729723871.db2.gz XWABELNVYKOERA-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000845502393 730858804 /nfs/dbraw/zinc/85/88/04/730858804.db2.gz KGMIZVQHLQVRCS-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000845502393 730858808 /nfs/dbraw/zinc/85/88/08/730858808.db2.gz KGMIZVQHLQVRCS-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)ccc1Cl ZINC000856788755 732060731 /nfs/dbraw/zinc/06/07/31/732060731.db2.gz SEQSUZFRVWBGAN-OAHLLOKOSA-N 1 2 366.826 3.008 20 5 FGBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCCCO1 ZINC000877988956 736753843 /nfs/dbraw/zinc/75/38/43/736753843.db2.gz QNQXPYQORHRFKB-GFCCVEGCSA-N 1 2 366.805 3.299 20 5 FGBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCCCO1 ZINC000877988956 736753845 /nfs/dbraw/zinc/75/38/45/736753845.db2.gz QNQXPYQORHRFKB-GFCCVEGCSA-N 1 2 366.805 3.299 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879625978 737018086 /nfs/dbraw/zinc/01/80/86/737018086.db2.gz FVJOPOUGVVDCKY-NSHDSACASA-N 1 2 369.849 3.058 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccc(C)nc2Cl)c([N+](=O)[O-])cc1OC ZINC000883291459 737548115 /nfs/dbraw/zinc/54/81/15/737548115.db2.gz FUOLENKWQTWBJU-UHFFFAOYSA-N 1 2 351.790 3.259 20 5 FGBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000917615209 758249613 /nfs/dbraw/zinc/24/96/13/758249613.db2.gz IUSJBSOOXHBIAM-NQBHXWOUSA-N 1 2 357.252 3.412 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000917615209 758249620 /nfs/dbraw/zinc/24/96/20/758249620.db2.gz IUSJBSOOXHBIAM-NQBHXWOUSA-N 1 2 357.252 3.412 20 5 FGBDLO COC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000918598855 758344942 /nfs/dbraw/zinc/34/49/42/758344942.db2.gz GDVFAYRIIVROOS-UHFFFAOYSA-N 1 2 361.423 3.207 20 5 FGBDLO Cc1nc(CC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC000932248026 761104095 /nfs/dbraw/zinc/10/40/95/761104095.db2.gz XAZIPXWGBOVBTO-UHFFFAOYSA-N 1 2 352.341 3.019 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000933978677 761512799 /nfs/dbraw/zinc/51/27/99/761512799.db2.gz SNFJIQIIHUFAFT-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000933978677 761512802 /nfs/dbraw/zinc/51/28/02/761512802.db2.gz SNFJIQIIHUFAFT-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000046344837 205135795 /nfs/dbraw/zinc/13/57/95/205135795.db2.gz UCODBCMAFCJGJH-HUUCEWRRSA-N 1 2 369.421 3.456 20 5 FGBDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000044438113 257340397 /nfs/dbraw/zinc/34/03/97/257340397.db2.gz JAMLLFJJMPWCGN-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000044438113 257340399 /nfs/dbraw/zinc/34/03/99/257340399.db2.gz JAMLLFJJMPWCGN-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000108157886 132242984 /nfs/dbraw/zinc/24/29/84/132242984.db2.gz LNNAMBYRSLGBQQ-UHFFFAOYSA-N 1 2 354.410 3.156 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000576687787 505571085 /nfs/dbraw/zinc/57/10/85/505571085.db2.gz ANUSKGOPWQWMOT-INIZCTEOSA-N 1 2 357.414 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1COc2ccccc21 ZINC000577018888 505646693 /nfs/dbraw/zinc/64/66/93/505646693.db2.gz SPILWODJFJVPTK-INIZCTEOSA-N 1 2 369.421 3.015 20 5 FGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CCO)c1ccccc1 ZINC000075899997 493793984 /nfs/dbraw/zinc/79/39/84/493793984.db2.gz KRHZJIKCXSORDY-KRWDZBQOSA-N 1 2 368.393 3.200 20 5 FGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CCO)c1ccccc1 ZINC000075899997 493793986 /nfs/dbraw/zinc/79/39/86/493793986.db2.gz KRHZJIKCXSORDY-KRWDZBQOSA-N 1 2 368.393 3.200 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000081089437 493829413 /nfs/dbraw/zinc/82/94/13/493829413.db2.gz LWFIJZJWZQUJRK-UHFFFAOYSA-N 1 2 350.378 3.112 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069162899 493930834 /nfs/dbraw/zinc/93/08/34/493930834.db2.gz CHWKCDXFYZASEA-KZULUSFZSA-N 1 2 357.385 3.404 20 5 FGBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000051767355 493986721 /nfs/dbraw/zinc/98/67/21/493986721.db2.gz SGOXSOXAXOSBJW-ZDUSSCGKSA-N 1 2 363.849 3.173 20 5 FGBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+]2CCCC2)cc1 ZINC000061633755 493987051 /nfs/dbraw/zinc/98/70/51/493987051.db2.gz JBPVMWSCVRFQOR-SFHVURJKSA-N 1 2 369.421 3.176 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000077233943 494038912 /nfs/dbraw/zinc/03/89/12/494038912.db2.gz KWNANFNQPGFQGC-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000077233943 494038914 /nfs/dbraw/zinc/03/89/14/494038914.db2.gz KWNANFNQPGFQGC-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000053124787 494096133 /nfs/dbraw/zinc/09/61/33/494096133.db2.gz VGWVTXVOJZKPBP-GFCCVEGCSA-N 1 2 361.373 3.374 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000053124787 494096136 /nfs/dbraw/zinc/09/61/36/494096136.db2.gz VGWVTXVOJZKPBP-GFCCVEGCSA-N 1 2 361.373 3.374 20 5 FGBDLO C[C@H](Cc1ccccc1F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054166018 494201375 /nfs/dbraw/zinc/20/13/75/494201375.db2.gz WMYUKMNNGBPTBD-CYBMUJFWSA-N 1 2 368.368 3.281 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000042649451 494234463 /nfs/dbraw/zinc/23/44/63/494234463.db2.gz LEVNSTQVMIBHCE-UHFFFAOYSA-N 1 2 351.366 3.221 20 5 FGBDLO CCc1c(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c(C)c1C(C)=O ZINC000088606748 494253249 /nfs/dbraw/zinc/25/32/49/494253249.db2.gz KYAVKAODFXYXDO-UHFFFAOYSA-N 1 2 369.421 3.237 20 5 FGBDLO CCc1c(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c(C)c1C(C)=O ZINC000088606748 494253253 /nfs/dbraw/zinc/25/32/53/494253253.db2.gz KYAVKAODFXYXDO-UHFFFAOYSA-N 1 2 369.421 3.237 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000065903808 494253615 /nfs/dbraw/zinc/25/36/15/494253615.db2.gz RZLHXJRJKUGHBR-UHFFFAOYSA-N 1 2 356.386 3.039 20 5 FGBDLO Cc1c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000089512199 494318935 /nfs/dbraw/zinc/31/89/35/494318935.db2.gz OQMJRRUKBUZXDR-LBPRGKRZSA-N 1 2 355.373 3.474 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000044380296 494354590 /nfs/dbraw/zinc/35/45/90/494354590.db2.gz SULIQAWXXJRFNI-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089869299 494386453 /nfs/dbraw/zinc/38/64/53/494386453.db2.gz XFBCBFRDROSZBV-UHFFFAOYSA-N 1 2 351.366 3.315 20 5 FGBDLO CSc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000055746860 494400251 /nfs/dbraw/zinc/40/02/51/494400251.db2.gz IMKREXQRBZKALD-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066847433 494422539 /nfs/dbraw/zinc/42/25/39/494422539.db2.gz CJJFRHVPCUAOGW-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066847433 494422542 /nfs/dbraw/zinc/42/25/42/494422542.db2.gz CJJFRHVPCUAOGW-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066847405 494422643 /nfs/dbraw/zinc/42/26/43/494422643.db2.gz UWOYWLYJHNJZGP-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066847405 494422648 /nfs/dbraw/zinc/42/26/48/494422648.db2.gz UWOYWLYJHNJZGP-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067161221 494487416 /nfs/dbraw/zinc/48/74/16/494487416.db2.gz XAPUHLVATFAGLR-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091081337 494526322 /nfs/dbraw/zinc/52/63/22/494526322.db2.gz ZROBYICSSKBMOD-MRXNPFEDSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091081337 494526326 /nfs/dbraw/zinc/52/63/26/494526326.db2.gz ZROBYICSSKBMOD-MRXNPFEDSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000074742131 494588184 /nfs/dbraw/zinc/58/81/84/494588184.db2.gz MRBQEDHCKWTVIQ-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131500048 494640082 /nfs/dbraw/zinc/64/00/82/494640082.db2.gz JEXDWOUOFBFDFR-OAHLLOKOSA-N 1 2 353.422 3.173 20 5 FGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131500048 494640087 /nfs/dbraw/zinc/64/00/87/494640087.db2.gz JEXDWOUOFBFDFR-OAHLLOKOSA-N 1 2 353.422 3.173 20 5 FGBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000047259007 494665639 /nfs/dbraw/zinc/66/56/39/494665639.db2.gz IELLWFRUIDMGMB-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000047259007 494665647 /nfs/dbraw/zinc/66/56/47/494665647.db2.gz IELLWFRUIDMGMB-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000131592283 494667542 /nfs/dbraw/zinc/66/75/42/494667542.db2.gz UGLLHAWLNVKMEZ-QPJJXVBHSA-N 1 2 369.396 3.205 20 5 FGBDLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000047265428 494668658 /nfs/dbraw/zinc/66/86/58/494668658.db2.gz LCWZGIQWAGTVAM-UHFFFAOYSA-N 1 2 358.423 3.136 20 5 FGBDLO Cc1csc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000067864909 494672315 /nfs/dbraw/zinc/67/23/15/494672315.db2.gz FFIYJAZCVBYPNL-LLVKDONJSA-N 1 2 357.395 3.036 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Br ZINC000092648517 494692777 /nfs/dbraw/zinc/69/27/77/494692777.db2.gz WPTRHIJVVJPAAN-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000092789500 494749029 /nfs/dbraw/zinc/74/90/29/494749029.db2.gz UTAONOLIBCEKGG-QPJJXVBHSA-N 1 2 353.422 3.131 20 5 FGBDLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000075589328 494800303 /nfs/dbraw/zinc/80/03/03/494800303.db2.gz DKPFIJJULPYPBC-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093417037 494890381 /nfs/dbraw/zinc/89/03/81/494890381.db2.gz DTWWAVBRJAUMNQ-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093417037 494890384 /nfs/dbraw/zinc/89/03/84/494890384.db2.gz DTWWAVBRJAUMNQ-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000117591883 494934239 /nfs/dbraw/zinc/93/42/39/494934239.db2.gz DXRFCHVCXNWWHD-UHFFFAOYSA-N 1 2 374.828 3.102 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571513113 505751281 /nfs/dbraw/zinc/75/12/81/505751281.db2.gz GKMURUMNJQIXOE-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571513113 505751284 /nfs/dbraw/zinc/75/12/84/505751284.db2.gz GKMURUMNJQIXOE-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056117 495034772 /nfs/dbraw/zinc/03/47/72/495034772.db2.gz OEOLBMPUOFWYDH-GOSISDBHSA-N 1 2 369.465 3.318 20 5 FGBDLO Cc1nc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000133631455 495038658 /nfs/dbraw/zinc/03/86/58/495038658.db2.gz BIELVGBMXGNIBP-KRWDZBQOSA-N 1 2 372.450 3.027 20 5 FGBDLO CC(C)NC(=O)c1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000134172710 495117076 /nfs/dbraw/zinc/11/70/76/495117076.db2.gz RCPJYDFQGZIXMG-KDOFPFPSSA-N 1 2 371.441 3.017 20 5 FGBDLO Cc1nn(C)c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC000123498094 495141110 /nfs/dbraw/zinc/14/11/10/495141110.db2.gz AZNGJIOOXXPHGU-UHFFFAOYSA-N 1 2 353.338 3.076 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103975109 495263455 /nfs/dbraw/zinc/26/34/55/495263455.db2.gz QBKSDQQKUFQAOS-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2sccc2C1 ZINC000135225028 495265488 /nfs/dbraw/zinc/26/54/88/495265488.db2.gz XJLSDICONFCGKK-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2sccc2C1 ZINC000135225028 495265492 /nfs/dbraw/zinc/26/54/92/495265492.db2.gz XJLSDICONFCGKK-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124441319 495288875 /nfs/dbraw/zinc/28/88/75/495288875.db2.gz YWAVLLURYKQZTC-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3c4ccccc4C[C@@H]3O)cs2)c1 ZINC000113327183 495296538 /nfs/dbraw/zinc/29/65/38/495296538.db2.gz ISBSBDUODSKSLI-ZWKOTPCHSA-N 1 2 367.430 3.466 20 5 FGBDLO C[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113406 495424392 /nfs/dbraw/zinc/42/43/92/495424392.db2.gz VSLVVXAWYXOIRQ-CABCVRRESA-N 1 2 371.441 3.054 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000140254997 495492045 /nfs/dbraw/zinc/49/20/45/495492045.db2.gz WEKHTZMLCLTVPT-MRXNPFEDSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000140254997 495492048 /nfs/dbraw/zinc/49/20/48/495492048.db2.gz WEKHTZMLCLTVPT-MRXNPFEDSA-N 1 2 354.410 3.382 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000185430486 495574138 /nfs/dbraw/zinc/57/41/38/495574138.db2.gz BJTGOBRWINWWIR-GOSISDBHSA-N 1 2 358.348 3.486 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580582252 505790830 /nfs/dbraw/zinc/79/08/30/505790830.db2.gz QGSPHMXOWQEYPB-JSGCOSHPSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580582252 505790831 /nfs/dbraw/zinc/79/08/31/505790831.db2.gz QGSPHMXOWQEYPB-JSGCOSHPSA-N 1 2 374.828 3.460 20 5 FGBDLO Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000159074295 495650630 /nfs/dbraw/zinc/65/06/30/495650630.db2.gz OUHNFNKNGBHPMD-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000159074295 495650633 /nfs/dbraw/zinc/65/06/33/495650633.db2.gz OUHNFNKNGBHPMD-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000170954972 495668503 /nfs/dbraw/zinc/66/85/03/495668503.db2.gz ZTXYMJGQZYLVKO-ZDUSSCGKSA-N 1 2 355.394 3.161 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000170954972 495668509 /nfs/dbraw/zinc/66/85/09/495668509.db2.gz ZTXYMJGQZYLVKO-ZDUSSCGKSA-N 1 2 355.394 3.161 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CCCO)c3ccccc3)n2)cc1 ZINC000179752937 495718292 /nfs/dbraw/zinc/71/82/92/495718292.db2.gz CDZBQKDSNBAOLK-QGZVFWFLSA-N 1 2 368.393 3.248 20 5 FGBDLO Cc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1[N+](=O)[O-] ZINC000179782591 495732486 /nfs/dbraw/zinc/73/24/86/495732486.db2.gz YANATZRFJQCQPA-UHFFFAOYSA-N 1 2 366.421 3.383 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccsc3)CC2)c(C(F)(F)F)c1 ZINC000580628644 505801064 /nfs/dbraw/zinc/80/10/64/505801064.db2.gz QNUGSDXAAGXNTR-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179821462 495749517 /nfs/dbraw/zinc/74/95/17/495749517.db2.gz AAPHYUWNLYQDCZ-INIZCTEOSA-N 1 2 373.413 3.089 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186007403 495818970 /nfs/dbraw/zinc/81/89/70/495818970.db2.gz VOBMJUFVIZWGIK-MRXNPFEDSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186007403 495818972 /nfs/dbraw/zinc/81/89/72/495818972.db2.gz VOBMJUFVIZWGIK-MRXNPFEDSA-N 1 2 371.462 3.446 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000171445871 495877954 /nfs/dbraw/zinc/87/79/54/495877954.db2.gz OHDYRGXHESJJBC-LBPRGKRZSA-N 1 2 350.378 3.231 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000174244433 495880416 /nfs/dbraw/zinc/88/04/16/495880416.db2.gz XIHJXHIDMKRWER-UHFFFAOYSA-N 1 2 358.423 3.347 20 5 FGBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180154381 495882784 /nfs/dbraw/zinc/88/27/84/495882784.db2.gz AOQCLDDKMWHJJJ-JTQLQIEISA-N 1 2 362.398 3.185 20 5 FGBDLO COc1cc(C[N@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180154381 495882790 /nfs/dbraw/zinc/88/27/90/495882790.db2.gz AOQCLDDKMWHJJJ-JTQLQIEISA-N 1 2 362.398 3.185 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000183254032 495900543 /nfs/dbraw/zinc/90/05/43/495900543.db2.gz ADEOGDAMVZFPMC-UHFFFAOYSA-N 1 2 371.412 3.309 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494786 496019801 /nfs/dbraw/zinc/01/98/01/496019801.db2.gz HLJGYNMNFIBPJZ-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494786 496019803 /nfs/dbraw/zinc/01/98/03/496019803.db2.gz HLJGYNMNFIBPJZ-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177594460 496125444 /nfs/dbraw/zinc/12/54/44/496125444.db2.gz DEKGHQLSUPNADE-GOEBONIOSA-N 1 2 357.414 3.035 20 5 FGBDLO Cc1c(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000161201381 496126215 /nfs/dbraw/zinc/12/62/15/496126215.db2.gz GTEBWHDQDNTUFZ-UHFFFAOYSA-N 1 2 364.405 3.007 20 5 FGBDLO Cc1c(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000184029802 496209955 /nfs/dbraw/zinc/20/99/55/496209955.db2.gz CCJTZRDCCLKFAV-UHFFFAOYSA-N 1 2 355.398 3.042 20 5 FGBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000177824618 496211491 /nfs/dbraw/zinc/21/14/91/496211491.db2.gz WSJSYMIPLAIYSQ-XOBRGWDASA-N 1 2 351.406 3.177 20 5 FGBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000177824618 496211496 /nfs/dbraw/zinc/21/14/96/496211496.db2.gz WSJSYMIPLAIYSQ-XOBRGWDASA-N 1 2 351.406 3.177 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000161770714 496234208 /nfs/dbraw/zinc/23/42/08/496234208.db2.gz SIAUSRFRGBMBTI-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184221238 496292355 /nfs/dbraw/zinc/29/23/55/496292355.db2.gz KRIUEKXGMATCID-GHMZBOCLSA-N 1 2 364.427 3.046 20 5 FGBDLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC000153274416 496404594 /nfs/dbraw/zinc/40/45/94/496404594.db2.gz OIWTZJRGANQTMU-UHFFFAOYSA-N 1 2 372.425 3.483 20 5 FGBDLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC000153274416 496404599 /nfs/dbraw/zinc/40/45/99/496404599.db2.gz OIWTZJRGANQTMU-UHFFFAOYSA-N 1 2 372.425 3.483 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162823573 496417742 /nfs/dbraw/zinc/41/77/42/496417742.db2.gz LLVIPYJXJQDTBC-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO COc1cc(C)ccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153398683 496443005 /nfs/dbraw/zinc/44/30/05/496443005.db2.gz KOYJJTDSWFAINV-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000184607073 496461985 /nfs/dbraw/zinc/46/19/85/496461985.db2.gz OCQDXIJHHKACAI-HZMBPMFUSA-N 1 2 367.789 3.146 20 5 FGBDLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000157552663 496501225 /nfs/dbraw/zinc/50/12/25/496501225.db2.gz MDXPDMRBHVMNIQ-UHFFFAOYSA-N 1 2 368.846 3.126 20 5 FGBDLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000157552663 496501232 /nfs/dbraw/zinc/50/12/32/496501232.db2.gz MDXPDMRBHVMNIQ-UHFFFAOYSA-N 1 2 368.846 3.126 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184921848 496585061 /nfs/dbraw/zinc/58/50/61/496585061.db2.gz WZOXVMGHZSJCJT-CYBMUJFWSA-N 1 2 372.400 3.149 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(F)cc3[N+](=O)[O-])c2cc1C ZINC000153894287 496616132 /nfs/dbraw/zinc/61/61/32/496616132.db2.gz IEDGBAJWTQOMAF-CQSZACIVSA-N 1 2 359.357 3.140 20 5 FGBDLO CCOC(=O)C[C@H](C)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182087902 496665998 /nfs/dbraw/zinc/66/59/98/496665998.db2.gz KDEXTNPOODUMBZ-ZDUSSCGKSA-N 1 2 358.398 3.138 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000182121238 496677701 /nfs/dbraw/zinc/67/77/01/496677701.db2.gz VIRHGCNPSXLKND-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000182121238 496677709 /nfs/dbraw/zinc/67/77/09/496677709.db2.gz VIRHGCNPSXLKND-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3cscn3)CC2)c(Cl)c1 ZINC000182121238 496677715 /nfs/dbraw/zinc/67/77/15/496677715.db2.gz VIRHGCNPSXLKND-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](Cc3cscn3)CC2)c(Cl)c1 ZINC000182121238 496677720 /nfs/dbraw/zinc/67/77/20/496677720.db2.gz VIRHGCNPSXLKND-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182170789 496696165 /nfs/dbraw/zinc/69/61/65/496696165.db2.gz SGFBWQAJESQFRC-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182170789 496696169 /nfs/dbraw/zinc/69/61/69/496696169.db2.gz SGFBWQAJESQFRC-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000182173631 496697325 /nfs/dbraw/zinc/69/73/25/496697325.db2.gz XNKNHNUVOIHNNX-UHFFFAOYSA-N 1 2 368.842 3.154 20 5 FGBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000182173631 496697328 /nfs/dbraw/zinc/69/73/28/496697328.db2.gz XNKNHNUVOIHNNX-UHFFFAOYSA-N 1 2 368.842 3.154 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000182198386 496704412 /nfs/dbraw/zinc/70/44/12/496704412.db2.gz OCGHUFFJTYDQDP-OAHLLOKOSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000182198386 496704415 /nfs/dbraw/zinc/70/44/15/496704415.db2.gz OCGHUFFJTYDQDP-OAHLLOKOSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000182200293 496705492 /nfs/dbraw/zinc/70/54/92/496705492.db2.gz VYTPVNBFGJMQEW-GOSISDBHSA-N 1 2 360.435 3.206 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000182200293 496705493 /nfs/dbraw/zinc/70/54/93/496705493.db2.gz VYTPVNBFGJMQEW-GOSISDBHSA-N 1 2 360.435 3.206 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000191352839 496734873 /nfs/dbraw/zinc/73/48/73/496734873.db2.gz MAHGBDMOOLCWNG-UHFFFAOYSA-N 1 2 354.366 3.008 20 5 FGBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000247023870 496755587 /nfs/dbraw/zinc/75/55/87/496755587.db2.gz SSROVCBGFOBFJN-DOTOQJQBSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000247023870 496755591 /nfs/dbraw/zinc/75/55/91/496755591.db2.gz SSROVCBGFOBFJN-DOTOQJQBSA-N 1 2 362.451 3.289 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278002686 496967136 /nfs/dbraw/zinc/96/71/36/496967136.db2.gz IPDNEUPJYUSLIH-SMDDNHRTSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278002686 496967142 /nfs/dbraw/zinc/96/71/42/496967142.db2.gz IPDNEUPJYUSLIH-SMDDNHRTSA-N 1 2 364.789 3.224 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000278508303 497138476 /nfs/dbraw/zinc/13/84/76/497138476.db2.gz ONMMDHGTCMKPFB-JTQLQIEISA-N 1 2 353.220 3.250 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636631 497171159 /nfs/dbraw/zinc/17/11/59/497171159.db2.gz MMVSIMBDSZIECW-CQSZACIVSA-N 1 2 359.401 3.213 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636631 497171162 /nfs/dbraw/zinc/17/11/62/497171162.db2.gz MMVSIMBDSZIECW-CQSZACIVSA-N 1 2 359.401 3.213 20 5 FGBDLO Cc1ccn2cc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000265738326 497171296 /nfs/dbraw/zinc/17/12/96/497171296.db2.gz BIVKWBANNQDBDT-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3C)n2)c1 ZINC000278873822 497251090 /nfs/dbraw/zinc/25/10/90/497251090.db2.gz YULSYJFKGHHXTA-CYBMUJFWSA-N 1 2 352.398 3.243 20 5 FGBDLO Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000193704882 497453394 /nfs/dbraw/zinc/45/33/94/497453394.db2.gz VWGSSLKMEORUHK-UHFFFAOYSA-N 1 2 355.398 3.089 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)nc2c1 ZINC000190534113 497520584 /nfs/dbraw/zinc/52/05/84/497520584.db2.gz YGPUEIDQSLMXAO-UHFFFAOYSA-N 1 2 372.356 3.314 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000268188268 497696089 /nfs/dbraw/zinc/69/60/89/497696089.db2.gz WGKSRDKKIGFCBE-AWEZNQCLSA-N 1 2 363.805 3.408 20 5 FGBDLO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000280716751 497870499 /nfs/dbraw/zinc/87/04/99/497870499.db2.gz GWAWIACESSBFRR-KRWDZBQOSA-N 1 2 369.421 3.176 20 5 FGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000299692510 497896405 /nfs/dbraw/zinc/89/64/05/497896405.db2.gz NSXXSWDQSOLIEU-UHFFFAOYSA-N 1 2 358.373 3.179 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301138278 497968678 /nfs/dbraw/zinc/96/86/78/497968678.db2.gz AQIJFYAFYNFCBO-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301138278 497968688 /nfs/dbraw/zinc/96/86/88/497968688.db2.gz AQIJFYAFYNFCBO-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO Cc1cc(NC[C@H](O)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301189142 497991325 /nfs/dbraw/zinc/99/13/25/497991325.db2.gz KXKWNBKKFMFXLN-GOSISDBHSA-N 1 2 364.405 3.376 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nncn1C ZINC000285601521 498142704 /nfs/dbraw/zinc/14/27/04/498142704.db2.gz VFARJAJFZFRELL-OAHLLOKOSA-N 1 2 372.454 3.334 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000289584120 498204714 /nfs/dbraw/zinc/20/47/14/498204714.db2.gz PGQUGYVDRAOVSS-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000289584120 498204718 /nfs/dbraw/zinc/20/47/18/498204718.db2.gz PGQUGYVDRAOVSS-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000296891904 498239433 /nfs/dbraw/zinc/23/94/33/498239433.db2.gz XFRJMUJDRZHWOO-MEDUHNTESA-N 1 2 361.377 3.354 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000301794048 498266432 /nfs/dbraw/zinc/26/64/32/498266432.db2.gz PKWFEYCPOZIVHC-UHFFFAOYSA-N 1 2 351.328 3.334 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301804979 498271331 /nfs/dbraw/zinc/27/13/31/498271331.db2.gz VSAUHJSQFJDCGE-OAHLLOKOSA-N 1 2 363.364 3.186 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301804979 498271336 /nfs/dbraw/zinc/27/13/36/498271336.db2.gz VSAUHJSQFJDCGE-OAHLLOKOSA-N 1 2 363.364 3.186 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000281803178 498274049 /nfs/dbraw/zinc/27/40/49/498274049.db2.gz MVTNLHKGERLVGC-CQSZACIVSA-N 1 2 358.398 3.187 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCN(c3nccs3)CC2)c(F)c1 ZINC000286074047 498284470 /nfs/dbraw/zinc/28/44/70/498284470.db2.gz SONVHZUANZKPIB-UHFFFAOYSA-N 1 2 354.382 3.042 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCN(c3nccs3)CC2)c(F)c1 ZINC000286074047 498284463 /nfs/dbraw/zinc/28/44/63/498284463.db2.gz SONVHZUANZKPIB-UHFFFAOYSA-N 1 2 354.382 3.042 20 5 FGBDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301850995 498293593 /nfs/dbraw/zinc/29/35/93/498293593.db2.gz PGRRCLMOQVUNKT-CYBMUJFWSA-N 1 2 352.398 3.305 20 5 FGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCNc1ccc([N+](=O)[O-])cc1 ZINC000301903015 498320118 /nfs/dbraw/zinc/32/01/18/498320118.db2.gz WXVPBZYTCRSCIE-UHFFFAOYSA-N 1 2 355.402 3.014 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281964120 498335907 /nfs/dbraw/zinc/33/59/07/498335907.db2.gz NHJSVQIYHZYVKE-CJNGLKHVSA-N 1 2 373.413 3.305 20 5 FGBDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302037528 498380385 /nfs/dbraw/zinc/38/03/85/498380385.db2.gz QAGVDKOWOJHDQA-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO COc1cc2nc(NCc3cccc([N+](=O)[O-])c3C)[nH+]c(N)c2cc1OC ZINC000302700896 498537893 /nfs/dbraw/zinc/53/78/93/498537893.db2.gz HYWXWZURSRQCDG-UHFFFAOYSA-N 1 2 369.381 3.058 20 5 FGBDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298228089 498701351 /nfs/dbraw/zinc/70/13/51/498701351.db2.gz GZDOWWLAMATJIS-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298228089 498701357 /nfs/dbraw/zinc/70/13/57/498701357.db2.gz GZDOWWLAMATJIS-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO CC1=CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000581876960 506080908 /nfs/dbraw/zinc/08/09/08/506080908.db2.gz FYKOPUZKBXRXLU-UHFFFAOYSA-N 1 2 358.179 3.351 20 5 FGBDLO CC1=CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000581876960 506080909 /nfs/dbraw/zinc/08/09/09/506080909.db2.gz FYKOPUZKBXRXLU-UHFFFAOYSA-N 1 2 358.179 3.351 20 5 FGBDLO CN(C(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000581908211 506086752 /nfs/dbraw/zinc/08/67/52/506086752.db2.gz YVSBYVYSEQKBRK-UHFFFAOYSA-N 1 2 369.421 3.231 20 5 FGBDLO CN(C(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000581908211 506086757 /nfs/dbraw/zinc/08/67/57/506086757.db2.gz YVSBYVYSEQKBRK-UHFFFAOYSA-N 1 2 369.421 3.231 20 5 FGBDLO O=C(CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000294805111 498811378 /nfs/dbraw/zinc/81/13/78/498811378.db2.gz UQKXLYQHWGWHMX-OAHLLOKOSA-N 1 2 356.382 3.035 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000298760229 498870344 /nfs/dbraw/zinc/87/03/44/498870344.db2.gz BVNFYDSORLJGLJ-UHFFFAOYSA-N 1 2 354.410 3.156 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000366514690 498960546 /nfs/dbraw/zinc/96/05/46/498960546.db2.gz BAFJZPAONPQTEM-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000367378783 499191652 /nfs/dbraw/zinc/19/16/52/499191652.db2.gz UWBZPVTWKBUIRD-TZMCWYRMSA-N 1 2 351.366 3.280 20 5 FGBDLO Cc1[nH]c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000368537645 499305875 /nfs/dbraw/zinc/30/58/75/499305875.db2.gz GVMOGBNPCVNKCZ-KRWDZBQOSA-N 1 2 366.425 3.327 20 5 FGBDLO Cc1[nH]c([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000368537645 499305877 /nfs/dbraw/zinc/30/58/77/499305877.db2.gz GVMOGBNPCVNKCZ-KRWDZBQOSA-N 1 2 366.425 3.327 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000371454362 499328707 /nfs/dbraw/zinc/32/87/07/499328707.db2.gz GWOFEZQMUZTIJH-UHFFFAOYSA-N 1 2 372.331 3.204 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000368791190 499333002 /nfs/dbraw/zinc/33/30/02/499333002.db2.gz QSARZADIMVFHSH-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375257468 499499801 /nfs/dbraw/zinc/49/98/01/499499801.db2.gz FNHYISRHWBJOJZ-BFYDXBDKSA-N 1 2 368.437 3.248 20 5 FGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000376053266 499578882 /nfs/dbraw/zinc/57/88/82/499578882.db2.gz DEGWZZVPGVQSMD-CQSZACIVSA-N 1 2 368.437 3.444 20 5 FGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000376053266 499578884 /nfs/dbraw/zinc/57/88/84/499578884.db2.gz DEGWZZVPGVQSMD-CQSZACIVSA-N 1 2 368.437 3.444 20 5 FGBDLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000376196047 499590323 /nfs/dbraw/zinc/59/03/23/499590323.db2.gz MKFPTWGELGPXSA-AWEZNQCLSA-N 1 2 370.409 3.398 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000409671022 499613421 /nfs/dbraw/zinc/61/34/21/499613421.db2.gz IWBNQFMHPSWJOY-UHFFFAOYSA-N 1 2 355.398 3.302 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000376621653 499623947 /nfs/dbraw/zinc/62/39/47/499623947.db2.gz GCMKBJFDRJFZNI-ZDUSSCGKSA-N 1 2 356.426 3.205 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000376621653 499623949 /nfs/dbraw/zinc/62/39/49/499623949.db2.gz GCMKBJFDRJFZNI-ZDUSSCGKSA-N 1 2 356.426 3.205 20 5 FGBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411295717 499723116 /nfs/dbraw/zinc/72/31/16/499723116.db2.gz RCFVUUNZCFCVGR-KRWDZBQOSA-N 1 2 373.409 3.152 20 5 FGBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411295717 499723117 /nfs/dbraw/zinc/72/31/17/499723117.db2.gz RCFVUUNZCFCVGR-KRWDZBQOSA-N 1 2 373.409 3.152 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411876795 499798793 /nfs/dbraw/zinc/79/87/93/499798793.db2.gz QKFDKFASYBZKQJ-LRDDRELGSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411876795 499798794 /nfs/dbraw/zinc/79/87/94/499798794.db2.gz QKFDKFASYBZKQJ-LRDDRELGSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563397 499810125 /nfs/dbraw/zinc/81/01/25/499810125.db2.gz BRKKFHMKYIQMMY-APPDUMDISA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563397 499810126 /nfs/dbraw/zinc/81/01/26/499810126.db2.gz BRKKFHMKYIQMMY-APPDUMDISA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000412180145 499831296 /nfs/dbraw/zinc/83/12/96/499831296.db2.gz BCHKQGWCUFTHAK-BVPBIZIASA-N 1 2 354.410 3.005 20 5 FGBDLO CCCC(=O)NC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413116718 499915956 /nfs/dbraw/zinc/91/59/56/499915956.db2.gz WQQIUZXLHOBQHN-CQSZACIVSA-N 1 2 356.426 3.276 20 5 FGBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000413326210 499941646 /nfs/dbraw/zinc/94/16/46/499941646.db2.gz KTDLUJCTCPTVAB-ZACQAIPSSA-N 1 2 353.382 3.170 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3cncn3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000425343984 500079480 /nfs/dbraw/zinc/07/94/80/500079480.db2.gz SVDNEINMWXKMEA-UHFFFAOYSA-N 1 2 373.457 3.093 20 5 FGBDLO CCOc1cc(N2CCN(Cc3c[nH+]cn3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000425343984 500079483 /nfs/dbraw/zinc/07/94/83/500079483.db2.gz SVDNEINMWXKMEA-UHFFFAOYSA-N 1 2 373.457 3.093 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1SC ZINC000421579190 500086379 /nfs/dbraw/zinc/08/63/79/500086379.db2.gz SSGMMMLCAHRXRB-UHFFFAOYSA-N 1 2 361.423 3.267 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000425397552 500093940 /nfs/dbraw/zinc/09/39/40/500093940.db2.gz SAYGFPLWUNABOW-CQSZACIVSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000425397552 500093941 /nfs/dbraw/zinc/09/39/41/500093941.db2.gz SAYGFPLWUNABOW-CQSZACIVSA-N 1 2 365.231 3.391 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000421692490 500118189 /nfs/dbraw/zinc/11/81/89/500118189.db2.gz HTDWYWHWWJKMKS-UHFFFAOYSA-N 1 2 372.425 3.199 20 5 FGBDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429728765 500133453 /nfs/dbraw/zinc/13/34/53/500133453.db2.gz XSVOIZHBRZCYKT-ZDUSSCGKSA-N 1 2 353.382 3.074 20 5 FGBDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429728765 500133459 /nfs/dbraw/zinc/13/34/59/500133459.db2.gz XSVOIZHBRZCYKT-ZDUSSCGKSA-N 1 2 353.382 3.074 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000421782704 500149970 /nfs/dbraw/zinc/14/99/70/500149970.db2.gz DJKAOVQDQXRSNC-OAHLLOKOSA-N 1 2 356.426 3.040 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000582337417 506189819 /nfs/dbraw/zinc/18/98/19/506189819.db2.gz FDGAAKPHBNWWLX-OAHLLOKOSA-N 1 2 362.348 3.129 20 5 FGBDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000432941519 500594300 /nfs/dbraw/zinc/59/43/00/500594300.db2.gz ZNMHPZLXIHINQV-ZDUSSCGKSA-N 1 2 373.409 3.166 20 5 FGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000444745851 500892573 /nfs/dbraw/zinc/89/25/73/500892573.db2.gz SYZRZNXXRNEFIZ-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000444745851 500892576 /nfs/dbraw/zinc/89/25/76/500892576.db2.gz SYZRZNXXRNEFIZ-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602582234 506223411 /nfs/dbraw/zinc/22/34/11/506223411.db2.gz PVYHHCDBOJSECM-UHFFFAOYSA-N 1 2 372.347 3.208 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000592745804 506227903 /nfs/dbraw/zinc/22/79/03/506227903.db2.gz LWSMJGJPVWAHBF-CYBMUJFWSA-N 1 2 370.384 3.152 20 5 FGBDLO Cc1ccc(CC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000449968440 501140167 /nfs/dbraw/zinc/14/01/67/501140167.db2.gz YGVQXEUHIYGCDS-ZDUSSCGKSA-N 1 2 368.393 3.433 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450062612 501169002 /nfs/dbraw/zinc/16/90/02/501169002.db2.gz QOZDZRWDMOYJJN-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450062612 501169005 /nfs/dbraw/zinc/16/90/05/501169005.db2.gz QOZDZRWDMOYJJN-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000436724389 501198046 /nfs/dbraw/zinc/19/80/46/501198046.db2.gz RLMXFFWZVRAOBT-UHFFFAOYSA-N 1 2 361.442 3.171 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645127 506242576 /nfs/dbraw/zinc/24/25/76/506242576.db2.gz TXMMXRVGXVMIHZ-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645127 506242577 /nfs/dbraw/zinc/24/25/77/506242577.db2.gz TXMMXRVGXVMIHZ-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2[nH+]ccn21 ZINC000450832213 501215506 /nfs/dbraw/zinc/21/55/06/501215506.db2.gz RDDPKPDPJMQWOV-UKRRQHHQSA-N 1 2 365.393 3.305 20 5 FGBDLO COc1cc(OCc2nc(CCc3[nH+]cccc3C)no2)ccc1[N+](=O)[O-] ZINC000453236603 501296288 /nfs/dbraw/zinc/29/62/88/501296288.db2.gz YMBLOXYAIMQLPI-UHFFFAOYSA-N 1 2 370.365 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)o1 ZINC000453255887 501300589 /nfs/dbraw/zinc/30/05/89/501300589.db2.gz LEHLWURBYUQISP-OAHLLOKOSA-N 1 2 372.406 3.376 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1Br ZINC000602675516 506255890 /nfs/dbraw/zinc/25/58/90/506255890.db2.gz KFYMVBFJTGJTJK-SECBINFHSA-N 1 2 357.233 3.062 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1Br ZINC000602675516 506255895 /nfs/dbraw/zinc/25/58/95/506255895.db2.gz KFYMVBFJTGJTJK-SECBINFHSA-N 1 2 357.233 3.062 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000602678362 506258862 /nfs/dbraw/zinc/25/88/62/506258862.db2.gz VZJPOSLUWNDTSL-LLVKDONJSA-N 1 2 354.275 3.063 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000602678362 506258867 /nfs/dbraw/zinc/25/88/67/506258867.db2.gz VZJPOSLUWNDTSL-LLVKDONJSA-N 1 2 354.275 3.063 20 5 FGBDLO C[C@@H](CO)C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602699205 506266840 /nfs/dbraw/zinc/26/68/40/506266840.db2.gz NLMBVLHNJIGPAS-VIFPVBQESA-N 1 2 363.277 3.259 20 5 FGBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c(OC)c1 ZINC000474174601 501730670 /nfs/dbraw/zinc/73/06/70/501730670.db2.gz XDUNXGHVFRVPSV-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c(OC)c1 ZINC000474174601 501730676 /nfs/dbraw/zinc/73/06/76/501730676.db2.gz XDUNXGHVFRVPSV-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000474281959 501775179 /nfs/dbraw/zinc/77/51/79/501775179.db2.gz XRWXPKKGVQXOQD-UHFFFAOYSA-N 1 2 369.812 3.387 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000474281959 501775184 /nfs/dbraw/zinc/77/51/84/501775184.db2.gz XRWXPKKGVQXOQD-UHFFFAOYSA-N 1 2 369.812 3.387 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC000485484015 501834070 /nfs/dbraw/zinc/83/40/70/501834070.db2.gz YLCMGSJQIFUZDZ-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CCc1cnc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)s1 ZINC000599048894 506292484 /nfs/dbraw/zinc/29/24/84/506292484.db2.gz MMMVPZSXKAHMRK-UHFFFAOYSA-N 1 2 369.450 3.489 20 5 FGBDLO COc1ccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000472027357 502203437 /nfs/dbraw/zinc/20/34/37/502203437.db2.gz ZLSAXKLNHNPHMV-UHFFFAOYSA-N 1 2 371.437 3.072 20 5 FGBDLO CCn1ncnc1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000475574612 502216364 /nfs/dbraw/zinc/21/63/64/502216364.db2.gz LPLJIBWZHNCULS-UHFFFAOYSA-N 1 2 366.425 3.264 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000475578092 502218008 /nfs/dbraw/zinc/21/80/08/502218008.db2.gz LWUJSOWFEYXPBC-UHFFFAOYSA-N 1 2 358.398 3.154 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483102811 502272596 /nfs/dbraw/zinc/27/25/96/502272596.db2.gz FMDSIPFHCWSTRY-ZDUSSCGKSA-N 1 2 374.290 3.456 20 5 FGBDLO Cc1cc(N2CCC(Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n[nH]1 ZINC000599071944 506310149 /nfs/dbraw/zinc/31/01/49/506310149.db2.gz CHSAXJSIUWCZQJ-UHFFFAOYSA-N 1 2 352.398 3.255 20 5 FGBDLO C[C@H](c1ccsc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462452384 502444260 /nfs/dbraw/zinc/44/42/60/502444260.db2.gz QCRRHVHDKYWOKF-OAHLLOKOSA-N 1 2 361.467 3.414 20 5 FGBDLO CCC1(CC)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000483906424 502518481 /nfs/dbraw/zinc/51/84/81/502518481.db2.gz GCMYIHNMBBUAQW-IRXDYDNUSA-N 1 2 372.425 3.104 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000476557985 502523179 /nfs/dbraw/zinc/52/31/79/502523179.db2.gz DDTHSSYGLWJETA-OLZOCXBDSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000476557985 502523183 /nfs/dbraw/zinc/52/31/83/502523183.db2.gz DDTHSSYGLWJETA-OLZOCXBDSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)Oc1nc(N(C)CCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000599091620 506320154 /nfs/dbraw/zinc/32/01/54/506320154.db2.gz KGDYJGHLQMZQFW-UHFFFAOYSA-N 1 2 355.398 3.332 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2n1C ZINC000476679325 502560931 /nfs/dbraw/zinc/56/09/31/502560931.db2.gz YPKXYSJKOOQYKT-UHFFFAOYSA-N 1 2 358.785 3.373 20 5 FGBDLO COc1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000481241093 502794067 /nfs/dbraw/zinc/79/40/67/502794067.db2.gz SWKYKSJSOXXUAZ-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509248480 502859669 /nfs/dbraw/zinc/85/96/69/502859669.db2.gz QQHNFSPJECGAQD-GFCCVEGCSA-N 1 2 369.412 3.246 20 5 FGBDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000500778718 502861033 /nfs/dbraw/zinc/86/10/33/502861033.db2.gz KTCBWHYLVNBVHY-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500900545 502889105 /nfs/dbraw/zinc/88/91/05/502889105.db2.gz WUEDIDPGQWQWKV-OAHLLOKOSA-N 1 2 360.414 3.085 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500900545 502889111 /nfs/dbraw/zinc/88/91/11/502889111.db2.gz WUEDIDPGQWQWKV-OAHLLOKOSA-N 1 2 360.414 3.085 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1F ZINC000489352540 502935754 /nfs/dbraw/zinc/93/57/54/502935754.db2.gz FAFHGKAXIHOUQM-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1F ZINC000489352540 502935761 /nfs/dbraw/zinc/93/57/61/502935761.db2.gz FAFHGKAXIHOUQM-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000593023573 506342734 /nfs/dbraw/zinc/34/27/34/506342734.db2.gz VZFPQIBQJYPCFF-HNNXBMFYSA-N 1 2 362.382 3.014 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccc(F)cn4)CC3)nc2c1 ZINC000602902972 506344659 /nfs/dbraw/zinc/34/46/59/506344659.db2.gz HKHQXINZRWQDPP-UHFFFAOYSA-N 1 2 355.373 3.385 20 5 FGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513661711 502994670 /nfs/dbraw/zinc/99/46/70/502994670.db2.gz PYYHMKDVMHVPQU-MOPGFXCFSA-N 1 2 366.421 3.395 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000513672859 502997734 /nfs/dbraw/zinc/99/77/34/502997734.db2.gz NBUHTGHMGDNKGH-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000490016267 503090451 /nfs/dbraw/zinc/09/04/51/503090451.db2.gz XQSFVZJULMOQPL-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000490016267 503090455 /nfs/dbraw/zinc/09/04/55/503090455.db2.gz XQSFVZJULMOQPL-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO Cc1noc([C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000498363372 503168785 /nfs/dbraw/zinc/16/87/85/503168785.db2.gz JVMPYKWHIVGIKS-OAHLLOKOSA-N 1 2 366.805 3.197 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000502540208 503221291 /nfs/dbraw/zinc/22/12/91/503221291.db2.gz MFONEUZCNMJNSO-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507239510 503257260 /nfs/dbraw/zinc/25/72/60/503257260.db2.gz ZWEHKXCEVCTANT-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507239510 503257262 /nfs/dbraw/zinc/25/72/62/503257262.db2.gz ZWEHKXCEVCTANT-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263055 503263980 /nfs/dbraw/zinc/26/39/80/503263980.db2.gz NTXNPQQOMUISOZ-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263055 503263984 /nfs/dbraw/zinc/26/39/84/503263984.db2.gz NTXNPQQOMUISOZ-LIRRHRJNSA-N 1 2 369.421 3.168 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1N1CCOCC1 ZINC000491139231 503279179 /nfs/dbraw/zinc/27/91/79/503279179.db2.gz INGULBMLIRFMLI-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1N1CCOCC1 ZINC000491139231 503279181 /nfs/dbraw/zinc/27/91/81/503279181.db2.gz INGULBMLIRFMLI-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO COc1cc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503212936 503368826 /nfs/dbraw/zinc/36/88/26/503368826.db2.gz WWGCTZCENQJBGX-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503212936 503368831 /nfs/dbraw/zinc/36/88/31/503368831.db2.gz WWGCTZCENQJBGX-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493108302 503406959 /nfs/dbraw/zinc/40/69/59/503406959.db2.gz VNCMQKYWYCSRNF-LBPRGKRZSA-N 1 2 353.850 3.375 20 5 FGBDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493108302 503406962 /nfs/dbraw/zinc/40/69/62/503406962.db2.gz VNCMQKYWYCSRNF-LBPRGKRZSA-N 1 2 353.850 3.375 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000512240364 503495312 /nfs/dbraw/zinc/49/53/12/503495312.db2.gz CYAKPFMACZVMAE-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000512240364 503495316 /nfs/dbraw/zinc/49/53/16/503495316.db2.gz CYAKPFMACZVMAE-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3cccc(Cl)c3F)nc2c1 ZINC000499939950 503515779 /nfs/dbraw/zinc/51/57/79/503515779.db2.gz PAWCGHOIUBWFEE-CQSZACIVSA-N 1 2 364.764 3.087 20 5 FGBDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000508964198 503608202 /nfs/dbraw/zinc/60/82/02/503608202.db2.gz JQDBENCJGGVCLH-QGZVFWFLSA-N 1 2 363.364 3.182 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000540327203 503737965 /nfs/dbraw/zinc/73/79/65/503737965.db2.gz SWPSAVXUWHTBCD-ZIAGYGMSSA-N 1 2 357.414 3.038 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533289306 503793972 /nfs/dbraw/zinc/79/39/72/503793972.db2.gz DDHGNLSLFLSCQD-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533289306 503793981 /nfs/dbraw/zinc/79/39/81/503793981.db2.gz DDHGNLSLFLSCQD-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000533409804 503835497 /nfs/dbraw/zinc/83/54/97/503835497.db2.gz YNJWIBDGVREGPB-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000533409804 503835504 /nfs/dbraw/zinc/83/55/04/503835504.db2.gz YNJWIBDGVREGPB-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000543859080 503918890 /nfs/dbraw/zinc/91/88/90/503918890.db2.gz IMCSJXOHGFRQAF-GJZGRUSLSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000543859080 503918895 /nfs/dbraw/zinc/91/88/95/503918895.db2.gz IMCSJXOHGFRQAF-GJZGRUSLSA-N 1 2 353.850 3.470 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2[nH+]c3ccccc3n2C)c1 ZINC000543901637 503933854 /nfs/dbraw/zinc/93/38/54/503933854.db2.gz SSBARLOGAZEDNO-UHFFFAOYSA-N 1 2 368.393 3.313 20 5 FGBDLO O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000547110656 503986787 /nfs/dbraw/zinc/98/67/87/503986787.db2.gz GWHTUBZSQGTYME-UHFFFAOYSA-N 1 2 363.333 3.410 20 5 FGBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)c1ccccc1 ZINC000534120771 504045368 /nfs/dbraw/zinc/04/53/68/504045368.db2.gz GAPKETVLCCDQNQ-GOSISDBHSA-N 1 2 353.378 3.415 20 5 FGBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)c1ccccc1 ZINC000534120771 504045375 /nfs/dbraw/zinc/04/53/75/504045375.db2.gz GAPKETVLCCDQNQ-GOSISDBHSA-N 1 2 353.378 3.415 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000519036430 504124026 /nfs/dbraw/zinc/12/40/26/504124026.db2.gz YJBMVZGKIQBQTJ-UHFFFAOYSA-N 1 2 370.796 3.293 20 5 FGBDLO Cn1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cccs2)n1 ZINC000519489988 504231908 /nfs/dbraw/zinc/23/19/08/504231908.db2.gz JBAPAELOZOKYDE-UHFFFAOYSA-N 1 2 370.434 3.451 20 5 FGBDLO Cn1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cccs2)n1 ZINC000519489988 504231913 /nfs/dbraw/zinc/23/19/13/504231913.db2.gz JBAPAELOZOKYDE-UHFFFAOYSA-N 1 2 370.434 3.451 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC(F)F)CC1CCC1 ZINC000534898310 504275255 /nfs/dbraw/zinc/27/52/55/504275255.db2.gz SHMMYUBZBMJKHF-UHFFFAOYSA-N 1 2 364.352 3.288 20 5 FGBDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000531649727 504377860 /nfs/dbraw/zinc/37/78/60/504377860.db2.gz PAGJOMFSOTYAGP-UHFFFAOYSA-N 1 2 361.364 3.074 20 5 FGBDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000531649727 504377864 /nfs/dbraw/zinc/37/78/64/504377864.db2.gz PAGJOMFSOTYAGP-UHFFFAOYSA-N 1 2 361.364 3.074 20 5 FGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000542196437 504401946 /nfs/dbraw/zinc/40/19/46/504401946.db2.gz JHXJYFFBXCLTLF-UHFFFAOYSA-N 1 2 361.361 3.396 20 5 FGBDLO O=C(N[C@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535452209 504440347 /nfs/dbraw/zinc/44/03/47/504440347.db2.gz SWOGRXGNOWHKQX-SFHVURJKSA-N 1 2 363.377 3.057 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000539171117 504491962 /nfs/dbraw/zinc/49/19/62/504491962.db2.gz VUNMCIDIDPFHLB-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)cc1 ZINC000542519221 504523902 /nfs/dbraw/zinc/52/39/02/504523902.db2.gz LXELPMIPNOREEF-KRWDZBQOSA-N 1 2 351.366 3.281 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000535785916 504545026 /nfs/dbraw/zinc/54/50/26/504545026.db2.gz ROKSKUBYXOBPEM-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000535785916 504545030 /nfs/dbraw/zinc/54/50/30/504545030.db2.gz ROKSKUBYXOBPEM-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000542887056 504648111 /nfs/dbraw/zinc/64/81/11/504648111.db2.gz USKGXPVHOSMUJO-INIZCTEOSA-N 1 2 366.364 3.483 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000542887057 504648424 /nfs/dbraw/zinc/64/84/24/504648424.db2.gz USKGXPVHOSMUJO-MRXNPFEDSA-N 1 2 366.364 3.483 20 5 FGBDLO Cc1ccc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)cn1 ZINC000543060196 504707718 /nfs/dbraw/zinc/70/77/18/504707718.db2.gz BEFPBGSBOTXAKK-UHFFFAOYSA-N 1 2 368.437 3.425 20 5 FGBDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000553357482 504893182 /nfs/dbraw/zinc/89/31/82/504893182.db2.gz QSFPALLNWOQYHB-QGZVFWFLSA-N 1 2 350.378 3.156 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000559617342 504896117 /nfs/dbraw/zinc/89/61/17/504896117.db2.gz DQSCCISMNLDNGQ-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000565922973 505026955 /nfs/dbraw/zinc/02/69/55/505026955.db2.gz KTZQRBNEIZRZML-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO CCOc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000565922973 505026961 /nfs/dbraw/zinc/02/69/61/505026961.db2.gz KTZQRBNEIZRZML-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000566611379 505222018 /nfs/dbraw/zinc/22/20/18/505222018.db2.gz IYOVXEVAODVTFD-IBGZPJMESA-N 1 2 364.405 3.238 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000554745003 505255203 /nfs/dbraw/zinc/25/52/03/505255203.db2.gz FCIYNVHKNUOOLK-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000554745003 505255206 /nfs/dbraw/zinc/25/52/06/505255206.db2.gz FCIYNVHKNUOOLK-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO COCc1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)c2cc(F)ccc2[nH+]1 ZINC000555124150 505356955 /nfs/dbraw/zinc/35/69/55/505356955.db2.gz HJCXAECQBMPJAO-UHFFFAOYSA-N 1 2 371.368 3.471 20 5 FGBDLO COc1ccc(-c2ccc(CN3CCn4c[nH+]cc4C3)o2)c([N+](=O)[O-])c1 ZINC000558569310 505426144 /nfs/dbraw/zinc/42/61/44/505426144.db2.gz GNHONFWHVLJGAI-UHFFFAOYSA-N 1 2 354.366 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]cn1Cc1ccccc1)CCO2 ZINC000562072751 505510225 /nfs/dbraw/zinc/51/02/25/505510225.db2.gz YOLPWIFCCVXKRY-UHFFFAOYSA-N 1 2 364.405 3.234 20 5 FGBDLO CCCc1[nH+]c(C)cc(OCCOc2ccccc2[N+](=O)[O-])c1C(=O)OC ZINC000589120899 506448817 /nfs/dbraw/zinc/44/88/17/506448817.db2.gz BHMRNYYBTLXWDW-UHFFFAOYSA-N 1 2 374.393 3.495 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000589186648 506475826 /nfs/dbraw/zinc/47/58/26/506475826.db2.gz KKJSYMVIDASSBF-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)o1 ZINC000589186648 506475832 /nfs/dbraw/zinc/47/58/32/506475832.db2.gz KKJSYMVIDASSBF-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624698 506536256 /nfs/dbraw/zinc/53/62/56/506536256.db2.gz WTABPTIPCXWQND-UHFFFAOYSA-N 1 2 352.394 3.104 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000612347319 506538683 /nfs/dbraw/zinc/53/86/83/506538683.db2.gz WZXZRUVMBXWZMO-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000589502058 506571042 /nfs/dbraw/zinc/57/10/42/506571042.db2.gz HHHXGAVSHMSBFQ-LJQANCHMSA-N 1 2 370.405 3.263 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000589502058 506571045 /nfs/dbraw/zinc/57/10/45/506571045.db2.gz HHHXGAVSHMSBFQ-LJQANCHMSA-N 1 2 370.405 3.263 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593420693 506612361 /nfs/dbraw/zinc/61/23/61/506612361.db2.gz PWPNDQFKIGKSGO-UHFFFAOYSA-N 1 2 356.426 3.107 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c2c(c1)COCO2 ZINC000612540304 506616725 /nfs/dbraw/zinc/61/67/25/506616725.db2.gz NYZOMZUTEMGZRN-SFHVURJKSA-N 1 2 362.426 3.242 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c2c(c1)COCO2 ZINC000612540304 506616728 /nfs/dbraw/zinc/61/67/28/506616728.db2.gz NYZOMZUTEMGZRN-SFHVURJKSA-N 1 2 362.426 3.242 20 5 FGBDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000596820657 506617330 /nfs/dbraw/zinc/61/73/30/506617330.db2.gz MRBITAKOMMMDMM-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO Cc1cc(N2CCC([C@@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593505749 506658038 /nfs/dbraw/zinc/65/80/38/506658038.db2.gz NRBSTJJOCCEJHH-ZDUSSCGKSA-N 1 2 356.426 3.205 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000593570488 506688435 /nfs/dbraw/zinc/68/84/35/506688435.db2.gz ZHHPSSBGWJZHTG-UHFFFAOYSA-N 1 2 371.462 3.103 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661573 506718939 /nfs/dbraw/zinc/71/89/39/506718939.db2.gz QZFZYCROZVWSDD-ZROIWOOFSA-N 1 2 353.426 3.058 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661573 506718949 /nfs/dbraw/zinc/71/89/49/506718949.db2.gz QZFZYCROZVWSDD-ZROIWOOFSA-N 1 2 353.426 3.058 20 5 FGBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593739990 506755809 /nfs/dbraw/zinc/75/58/09/506755809.db2.gz FFLSBNBYIHKBFD-MRXNPFEDSA-N 1 2 368.437 3.076 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000604525176 506860754 /nfs/dbraw/zinc/86/07/54/506860754.db2.gz LAEWKABXOVJJHK-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000604525176 506860761 /nfs/dbraw/zinc/86/07/61/506860761.db2.gz LAEWKABXOVJJHK-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000604525181 506860788 /nfs/dbraw/zinc/86/07/88/506860788.db2.gz OWMHNYPKJCSBTH-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000604525181 506860794 /nfs/dbraw/zinc/86/07/94/506860794.db2.gz OWMHNYPKJCSBTH-UHFFFAOYSA-N 1 2 353.728 3.461 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](CC)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000604525179 506860969 /nfs/dbraw/zinc/86/09/69/506860969.db2.gz LQCIJQOSZQNDBD-UHFFFAOYSA-N 1 2 363.336 3.206 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000604525179 506860973 /nfs/dbraw/zinc/86/09/73/506860973.db2.gz LQCIJQOSZQNDBD-UHFFFAOYSA-N 1 2 363.336 3.206 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026694 506892542 /nfs/dbraw/zinc/89/25/42/506892542.db2.gz NJEFMTBWNZEBIB-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026694 506892546 /nfs/dbraw/zinc/89/25/46/506892546.db2.gz NJEFMTBWNZEBIB-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000609495006 506899609 /nfs/dbraw/zinc/89/96/09/506899609.db2.gz ZNDRPAMORKTWLV-LJQANCHMSA-N 1 2 357.410 3.089 20 5 FGBDLO O=[N+]([O-])c1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c(Br)c1 ZINC000610131323 507110653 /nfs/dbraw/zinc/11/06/53/507110653.db2.gz PDADGDOFRIVFDE-UHFFFAOYSA-N 1 2 362.143 3.125 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000613499537 507121765 /nfs/dbraw/zinc/12/17/65/507121765.db2.gz ZYTLKELZRVOVCK-CQSZACIVSA-N 1 2 350.312 3.259 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1Oc1cc(-n2cc[nH+]c2)ncn1 ZINC000610280879 507176836 /nfs/dbraw/zinc/17/68/36/507176836.db2.gz CMIJENBLSHEYFN-UHFFFAOYSA-N 1 2 362.143 3.125 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610453782 507247209 /nfs/dbraw/zinc/24/72/09/507247209.db2.gz WHLRJVDYCRKKDR-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610453782 507247215 /nfs/dbraw/zinc/24/72/15/507247215.db2.gz WHLRJVDYCRKKDR-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505241 507269305 /nfs/dbraw/zinc/26/93/05/507269305.db2.gz DFGFQOJJWKYITQ-ROUUACIJSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505241 507269311 /nfs/dbraw/zinc/26/93/11/507269311.db2.gz DFGFQOJJWKYITQ-ROUUACIJSA-N 1 2 355.369 3.286 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)c1 ZINC000601178459 507289395 /nfs/dbraw/zinc/28/93/95/507289395.db2.gz QXINDWLPCKJNFT-UHFFFAOYSA-N 1 2 373.478 3.080 20 5 FGBDLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)c([N+](=O)[O-])s1 ZINC000601958757 507529696 /nfs/dbraw/zinc/52/96/96/507529696.db2.gz CXEHTMJWGRCUMO-UHFFFAOYSA-N 1 2 369.468 3.136 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCCC2)O1 ZINC000592192256 507532164 /nfs/dbraw/zinc/53/21/64/507532164.db2.gz HGQRULXMZMZEGI-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCCC2)O1 ZINC000592192256 507532173 /nfs/dbraw/zinc/53/21/73/507532173.db2.gz HGQRULXMZMZEGI-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598651145 507534854 /nfs/dbraw/zinc/53/48/54/507534854.db2.gz WNLMWNXSLJVYDB-MRXNPFEDSA-N 1 2 371.384 3.346 20 5 FGBDLO Cc1noc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595513743 507540327 /nfs/dbraw/zinc/54/03/27/507540327.db2.gz BUSDQTOTFSSDAI-LBPRGKRZSA-N 1 2 359.304 3.123 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592259649 507566672 /nfs/dbraw/zinc/56/66/72/507566672.db2.gz IXBAVAAIOGCAJR-UHFFFAOYSA-N 1 2 367.409 3.478 20 5 FGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611412067 507669843 /nfs/dbraw/zinc/66/98/43/507669843.db2.gz QFJXVWKGEXFDAM-OAHLLOKOSA-N 1 2 367.858 3.165 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000611515112 507716575 /nfs/dbraw/zinc/71/65/75/507716575.db2.gz YKCFCLWNNRFTAD-INIZCTEOSA-N 1 2 360.458 3.188 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554130 507735831 /nfs/dbraw/zinc/73/58/31/507735831.db2.gz FHMKGHXUIGYUGA-VXGBXAGGSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554130 507735837 /nfs/dbraw/zinc/73/58/37/507735837.db2.gz FHMKGHXUIGYUGA-VXGBXAGGSA-N 1 2 359.348 3.220 20 5 FGBDLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595915158 507743444 /nfs/dbraw/zinc/74/34/44/507743444.db2.gz KVLUGYFNIGPFIC-UHFFFAOYSA-N 1 2 358.423 3.141 20 5 FGBDLO CC12CC(C1)C[N@H+]2CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595915158 507743447 /nfs/dbraw/zinc/74/34/47/507743447.db2.gz KVLUGYFNIGPFIC-UHFFFAOYSA-N 1 2 358.423 3.141 20 5 FGBDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148908 695597149 /nfs/dbraw/zinc/59/71/49/695597149.db2.gz KWIZQLSJYDHFFE-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148908 695597154 /nfs/dbraw/zinc/59/71/54/695597154.db2.gz KWIZQLSJYDHFFE-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116276424 700592242 /nfs/dbraw/zinc/59/22/42/700592242.db2.gz CNXNINGDAICBBG-UHFFFAOYSA-N 1 2 355.822 3.301 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172176857 705409961 /nfs/dbraw/zinc/40/99/61/705409961.db2.gz VULIHSSWKPNHQF-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000174159730 705489429 /nfs/dbraw/zinc/48/94/29/705489429.db2.gz UBJGXUHFFIVVBY-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000174159730 705489433 /nfs/dbraw/zinc/48/94/33/705489433.db2.gz UBJGXUHFFIVVBY-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000246337109 713622036 /nfs/dbraw/zinc/62/20/36/713622036.db2.gz UBHYUYGKVWIGJO-QZTJIDSGSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000246337109 713622039 /nfs/dbraw/zinc/62/20/39/713622039.db2.gz UBHYUYGKVWIGJO-QZTJIDSGSA-N 1 2 362.813 3.355 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548960 714192291 /nfs/dbraw/zinc/19/22/91/714192291.db2.gz SUIWFSPSGBNRMK-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548960 714192294 /nfs/dbraw/zinc/19/22/94/714192294.db2.gz SUIWFSPSGBNRMK-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000804426213 724516149 /nfs/dbraw/zinc/51/61/49/724516149.db2.gz FWHNTKRTASMOCX-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000804426213 724516153 /nfs/dbraw/zinc/51/61/53/724516153.db2.gz FWHNTKRTASMOCX-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783559041 724765479 /nfs/dbraw/zinc/76/54/79/724765479.db2.gz MTTXEYBXSRIRGI-AWEZNQCLSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783559041 724765481 /nfs/dbraw/zinc/76/54/81/724765481.db2.gz MTTXEYBXSRIRGI-AWEZNQCLSA-N 1 2 351.834 3.225 20 5 FGBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000744424435 722576781 /nfs/dbraw/zinc/57/67/81/722576781.db2.gz XAPGXSSRPIZOLO-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000744424435 722576782 /nfs/dbraw/zinc/57/67/82/722576782.db2.gz XAPGXSSRPIZOLO-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc(Cl)cc21 ZINC000795645281 723604199 /nfs/dbraw/zinc/60/41/99/723604199.db2.gz SQEULYRWROGVKB-UHFFFAOYSA-N 1 2 361.785 3.288 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc(Cl)cc21 ZINC000795645281 723604200 /nfs/dbraw/zinc/60/42/00/723604200.db2.gz SQEULYRWROGVKB-UHFFFAOYSA-N 1 2 361.785 3.288 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000796294731 723630908 /nfs/dbraw/zinc/63/09/08/723630908.db2.gz MGANEPDAQWWKAM-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000796294731 723630909 /nfs/dbraw/zinc/63/09/09/723630909.db2.gz MGANEPDAQWWKAM-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3occc3Br)C2)nc1 ZINC000769461970 723686150 /nfs/dbraw/zinc/68/61/50/723686150.db2.gz CZQDQAYQGGWCGF-SNVBAGLBSA-N 1 2 367.203 3.032 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3occc3Br)C2)nc1 ZINC000769461970 723686151 /nfs/dbraw/zinc/68/61/51/723686151.db2.gz CZQDQAYQGGWCGF-SNVBAGLBSA-N 1 2 367.203 3.032 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)cc1Cl ZINC000774514590 723901204 /nfs/dbraw/zinc/90/12/04/723901204.db2.gz RWENKGMYYSEZAM-UHFFFAOYSA-N 1 2 364.789 3.344 20 5 FGBDLO CC(C)CO[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639116 723913188 /nfs/dbraw/zinc/91/31/88/723913188.db2.gz JAVGDNOJJXQPMT-AWEZNQCLSA-N 1 2 352.822 3.302 20 5 FGBDLO CC(C)CO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639116 723913196 /nfs/dbraw/zinc/91/31/96/723913196.db2.gz JAVGDNOJJXQPMT-AWEZNQCLSA-N 1 2 352.822 3.302 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000778950741 724376014 /nfs/dbraw/zinc/37/60/14/724376014.db2.gz DJSOVVOXSZCBEA-AWEZNQCLSA-N 1 2 362.499 3.463 20 5 FGBDLO Cn1nc(Br)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787087715 725016106 /nfs/dbraw/zinc/01/61/06/725016106.db2.gz DBQUWDAISYNKSV-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO Cn1nc(Br)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787087715 725016108 /nfs/dbraw/zinc/01/61/08/725016108.db2.gz DBQUWDAISYNKSV-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO C[C@@]12CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(Cl)Cl ZINC000789487622 725131604 /nfs/dbraw/zinc/13/16/04/725131604.db2.gz OMTRVAMNMFNBKA-UONOGXRCSA-N 1 2 355.225 3.418 20 5 FGBDLO C[C@@]12CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(Cl)Cl ZINC000789487622 725131606 /nfs/dbraw/zinc/13/16/06/725131606.db2.gz OMTRVAMNMFNBKA-UONOGXRCSA-N 1 2 355.225 3.418 20 5 FGBDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317374 727063708 /nfs/dbraw/zinc/06/37/08/727063708.db2.gz CSCJWIHDNVGVEC-BLLLJJGKSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317374 727063715 /nfs/dbraw/zinc/06/37/15/727063715.db2.gz CSCJWIHDNVGVEC-BLLLJJGKSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825523170 729386602 /nfs/dbraw/zinc/38/66/02/729386602.db2.gz PZRDTORNYYLKHB-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825523170 729386604 /nfs/dbraw/zinc/38/66/04/729386604.db2.gz PZRDTORNYYLKHB-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(O[C@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835215474 729868548 /nfs/dbraw/zinc/86/85/48/729868548.db2.gz KGUAXFRQLATDEJ-CYBMUJFWSA-N 1 2 355.272 3.278 20 5 FGBDLO C[C@H](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)n1cc[nH+]c1 ZINC000845285138 730827311 /nfs/dbraw/zinc/82/73/11/730827311.db2.gz HCJLQPBECZZZPD-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851803800 731500599 /nfs/dbraw/zinc/50/05/99/731500599.db2.gz JSMVCCULFCJSDE-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851803800 731500601 /nfs/dbraw/zinc/50/06/01/731500601.db2.gz JSMVCCULFCJSDE-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncc(Br)cn1)CCC2 ZINC000903320622 743837381 /nfs/dbraw/zinc/83/73/81/743837381.db2.gz MOGRZQXTUAHPPC-CQSZACIVSA-N 1 2 363.215 3.315 20 5 FGBDLO COc1cc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc([N+](=O)[O-])c1 ZINC000903335634 743838431 /nfs/dbraw/zinc/83/84/31/743838431.db2.gz CVRISHUBHIGVFX-VIFPVBQESA-N 1 2 358.320 3.207 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000922715999 758990541 /nfs/dbraw/zinc/99/05/41/758990541.db2.gz JZIRIKODEPZMRY-UHFFFAOYSA-N 1 2 358.320 3.036 20 5 FGBDLO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000926300873 759706767 /nfs/dbraw/zinc/70/67/67/759706767.db2.gz DMAZPTPYCJAPNU-VIFPVBQESA-N 1 2 357.336 3.384 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533903 760635251 /nfs/dbraw/zinc/63/52/51/760635251.db2.gz ZSASLZZBGKGIKT-OAHLLOKOSA-N 1 2 362.455 3.358 20 5 FGBDLO O=C1N[C@@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)CO1 ZINC000932771952 761240373 /nfs/dbraw/zinc/24/03/73/761240373.db2.gz CXWBVYBVJQGRHF-CYBMUJFWSA-N 1 2 374.224 3.222 20 5 FGBDLO Cc1sc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000108999595 206043818 /nfs/dbraw/zinc/04/38/18/206043818.db2.gz ZZBRLVLXACDVGZ-UHFFFAOYSA-N 1 2 361.423 3.049 20 5 FGBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)S1 ZINC000097600407 132305827 /nfs/dbraw/zinc/30/58/27/132305827.db2.gz XNVLJOSHTRPSJH-JTQLQIEISA-N 1 2 374.388 3.227 20 5 FGBDLO CCn1cc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000573796601 505622993 /nfs/dbraw/zinc/62/29/93/505622993.db2.gz ODFWDUVNZGZMAF-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO CCn1cc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000573796601 505622996 /nfs/dbraw/zinc/62/29/96/505622996.db2.gz ODFWDUVNZGZMAF-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000573862095 505638174 /nfs/dbraw/zinc/63/81/74/505638174.db2.gz YJYSZVIHSAUMIS-LLVKDONJSA-N 1 2 360.267 3.142 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000574027408 505676780 /nfs/dbraw/zinc/67/67/80/505676780.db2.gz RESCWTXCMFWUSY-UHFFFAOYSA-N 1 2 372.303 3.061 20 5 FGBDLO Cc1cc(NCCC(=O)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827459 493805108 /nfs/dbraw/zinc/80/51/08/493805108.db2.gz WTBCMIHOEUODND-UHFFFAOYSA-N 1 2 369.425 3.175 20 5 FGBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c[nH+]1 ZINC000080981731 493807838 /nfs/dbraw/zinc/80/78/38/493807838.db2.gz XNJJJQHPXHKAOA-UHFFFAOYSA-N 1 2 354.410 3.189 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000081087726 493828577 /nfs/dbraw/zinc/82/85/77/493828577.db2.gz SLMYRWLNPFNMQB-UHFFFAOYSA-N 1 2 364.405 3.041 20 5 FGBDLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000081088727 493829513 /nfs/dbraw/zinc/82/95/13/493829513.db2.gz ZNAUVBQXYYUMRA-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO COC(=O)CC[N@H+](Cc1cccc(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000076180627 493838288 /nfs/dbraw/zinc/83/82/88/493838288.db2.gz YQLHNMBGNPDYDM-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO COC(=O)CC[N@@H+](Cc1cccc(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000076180627 493838291 /nfs/dbraw/zinc/83/82/91/493838291.db2.gz YQLHNMBGNPDYDM-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000030297326 493885298 /nfs/dbraw/zinc/88/52/98/493885298.db2.gz XAYUJNISMZUUQM-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069087073 493919266 /nfs/dbraw/zinc/91/92/66/493919266.db2.gz NWZNTYRLYMNCTI-MRXNPFEDSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069087073 493919272 /nfs/dbraw/zinc/91/92/72/493919272.db2.gz NWZNTYRLYMNCTI-MRXNPFEDSA-N 1 2 355.394 3.379 20 5 FGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032042239 493971871 /nfs/dbraw/zinc/97/18/71/493971871.db2.gz OVICRDQLMONAJC-CQSZACIVSA-N 1 2 350.378 3.314 20 5 FGBDLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052162863 494007305 /nfs/dbraw/zinc/00/73/05/494007305.db2.gz FPDVIDVGJCZZMQ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000052162863 494007308 /nfs/dbraw/zinc/00/73/08/494007308.db2.gz FPDVIDVGJCZZMQ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052518108 494033848 /nfs/dbraw/zinc/03/38/48/494033848.db2.gz HZKSIORQADUIHF-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052633362 494048117 /nfs/dbraw/zinc/04/81/17/494048117.db2.gz LIBANODQXYATSF-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000007929757 494053975 /nfs/dbraw/zinc/05/39/75/494053975.db2.gz FTQASOPVAXSKFN-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000007929757 494053979 /nfs/dbraw/zinc/05/39/79/494053979.db2.gz FTQASOPVAXSKFN-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000053211100 494105389 /nfs/dbraw/zinc/10/53/89/494105389.db2.gz VATBUCOLKGTFJB-MRXNPFEDSA-N 1 2 369.356 3.379 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000072032827 494118152 /nfs/dbraw/zinc/11/81/52/494118152.db2.gz FBBHKKHGSUIXHY-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000041789605 494178417 /nfs/dbraw/zinc/17/84/17/494178417.db2.gz ZNLLSMGGADZTBA-UHFFFAOYSA-N 1 2 365.176 3.479 20 5 FGBDLO CCCCc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072664982 494229367 /nfs/dbraw/zinc/22/93/67/494229367.db2.gz FDPMTKMHVGLUFI-ZDUSSCGKSA-N 1 2 361.471 3.475 20 5 FGBDLO CCCCc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072664982 494229370 /nfs/dbraw/zinc/22/93/70/494229370.db2.gz FDPMTKMHVGLUFI-ZDUSSCGKSA-N 1 2 361.471 3.475 20 5 FGBDLO CC(C)C(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000014112359 494304045 /nfs/dbraw/zinc/30/40/45/494304045.db2.gz KNJSSQFRDSUSJR-UHFFFAOYSA-N 1 2 364.445 3.246 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC000044380484 494354829 /nfs/dbraw/zinc/35/48/29/494354829.db2.gz SZEGOUDLMUPVFW-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055555184 494359533 /nfs/dbraw/zinc/35/95/33/494359533.db2.gz DMWBAHQAURPGSB-HNNXBMFYSA-N 1 2 364.405 3.450 20 5 FGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016446256 494390053 /nfs/dbraw/zinc/39/00/53/494390053.db2.gz KQUNXQLKCXYOPD-SNVBAGLBSA-N 1 2 356.220 3.028 20 5 FGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016446256 494390057 /nfs/dbraw/zinc/39/00/57/494390057.db2.gz KQUNXQLKCXYOPD-SNVBAGLBSA-N 1 2 356.220 3.028 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045730771 494455075 /nfs/dbraw/zinc/45/50/75/494455075.db2.gz ADSRLWXSPIORPU-UHFFFAOYSA-N 1 2 350.378 3.112 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000067161450 494487395 /nfs/dbraw/zinc/48/73/95/494487395.db2.gz FRZYSRNDAICYSI-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121361 494495989 /nfs/dbraw/zinc/49/59/89/494495989.db2.gz JYDGUOSBUWKDQY-UHFFFAOYSA-N 1 2 371.462 3.378 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074243696 494503226 /nfs/dbraw/zinc/50/32/26/494503226.db2.gz XOPZRFPAKGWXFA-UHFFFAOYSA-N 1 2 354.288 3.327 20 5 FGBDLO CN(C)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046216269 494504521 /nfs/dbraw/zinc/50/45/21/494504521.db2.gz TWEYVVRQEOQSJX-UHFFFAOYSA-N 1 2 351.366 3.099 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000024749321 494659350 /nfs/dbraw/zinc/65/93/50/494659350.db2.gz WGOPHCLVDKROBB-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CS(C)(=O)=O ZINC000126213719 494673987 /nfs/dbraw/zinc/67/39/87/494673987.db2.gz JXCCYYZMTAJVOI-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CS(C)(=O)=O ZINC000126213719 494673996 /nfs/dbraw/zinc/67/39/96/494673996.db2.gz JXCCYYZMTAJVOI-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO Cc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc([N+](=O)[O-])c1 ZINC000126259222 494689564 /nfs/dbraw/zinc/68/95/64/494689564.db2.gz YDGZBGPJWXSTEF-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092705152 494717229 /nfs/dbraw/zinc/71/72/29/494717229.db2.gz IQTVPIDYUPBMPH-CQSZACIVSA-N 1 2 374.466 3.209 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092705152 494717232 /nfs/dbraw/zinc/71/72/32/494717232.db2.gz IQTVPIDYUPBMPH-CQSZACIVSA-N 1 2 374.466 3.209 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000091978307 494740038 /nfs/dbraw/zinc/74/00/38/494740038.db2.gz OFBIAVWBURGRTO-CVEARBPZSA-N 1 2 371.462 3.218 20 5 FGBDLO CCCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000116279407 494750501 /nfs/dbraw/zinc/75/05/01/494750501.db2.gz NJRVZHNGILRDKV-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000116279407 494750505 /nfs/dbraw/zinc/75/05/05/494750505.db2.gz NJRVZHNGILRDKV-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126494544 494770153 /nfs/dbraw/zinc/77/01/53/494770153.db2.gz CPWYTGXZHUQBMO-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126494544 494770154 /nfs/dbraw/zinc/77/01/54/494770154.db2.gz CPWYTGXZHUQBMO-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554886 494792902 /nfs/dbraw/zinc/79/29/02/494792902.db2.gz GAQNRPJQJYMXDS-CHWSQXEVSA-N 1 2 360.439 3.205 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1Cl ZINC000026215761 494810937 /nfs/dbraw/zinc/81/09/37/494810937.db2.gz DRGRDNHDVBJUCX-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1Cl ZINC000026215761 494810944 /nfs/dbraw/zinc/81/09/44/494810944.db2.gz DRGRDNHDVBJUCX-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000075686531 494815787 /nfs/dbraw/zinc/81/57/87/494815787.db2.gz AYAUFIKUUDNERP-UHFFFAOYSA-N 1 2 362.349 3.124 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000093385494 494883552 /nfs/dbraw/zinc/88/35/52/494883552.db2.gz HXWLBHKJUXFXCH-QGZVFWFLSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000093385494 494883554 /nfs/dbraw/zinc/88/35/54/494883554.db2.gz HXWLBHKJUXFXCH-QGZVFWFLSA-N 1 2 357.385 3.280 20 5 FGBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)S(C)(=O)=O ZINC000093420707 494890850 /nfs/dbraw/zinc/89/08/50/494890850.db2.gz LCXVUDLAYGMPQJ-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)S(C)(=O)=O ZINC000093420707 494890853 /nfs/dbraw/zinc/89/08/53/494890853.db2.gz LCXVUDLAYGMPQJ-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000093608123 494902584 /nfs/dbraw/zinc/90/25/84/494902584.db2.gz KMOCUYTUDUMFOM-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563168 505752864 /nfs/dbraw/zinc/75/28/64/505752864.db2.gz DMOQKMCAIXDNJC-XKQJLSEDSA-N 1 2 361.442 3.120 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563168 505752865 /nfs/dbraw/zinc/75/28/65/505752865.db2.gz DMOQKMCAIXDNJC-XKQJLSEDSA-N 1 2 361.442 3.120 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133223319 494986857 /nfs/dbraw/zinc/98/68/57/494986857.db2.gz UVSQVQCJNCIBJH-IRXDYDNUSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133223319 494986861 /nfs/dbraw/zinc/98/68/61/494986861.db2.gz UVSQVQCJNCIBJH-IRXDYDNUSA-N 1 2 361.348 3.048 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000128095006 495043428 /nfs/dbraw/zinc/04/34/28/495043428.db2.gz NULMGWNQHQZNCX-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119040912 495077877 /nfs/dbraw/zinc/07/78/77/495077877.db2.gz YGLADCSWSDVBKY-HXUWFJFHSA-N 1 2 372.421 3.446 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119040912 495077882 /nfs/dbraw/zinc/07/78/82/495077882.db2.gz YGLADCSWSDVBKY-HXUWFJFHSA-N 1 2 372.421 3.446 20 5 FGBDLO Cn1ncc2c1nc[nH+]c2SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133953195 495086218 /nfs/dbraw/zinc/08/62/18/495086218.db2.gz PHMSLQRYPBAESZ-UHFFFAOYSA-N 1 2 368.378 3.219 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000102625810 495146979 /nfs/dbraw/zinc/14/69/79/495146979.db2.gz ZVTOJHURKPMGRF-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO Cc1nn(C)c(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1[N+](=O)[O-] ZINC000119750770 495233289 /nfs/dbraw/zinc/23/32/89/495233289.db2.gz BKIBFJFHRXQXFM-UHFFFAOYSA-N 1 2 354.370 3.033 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218061 495263687 /nfs/dbraw/zinc/26/36/87/495263687.db2.gz ZPSCVYFXNDJAPD-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218061 495263692 /nfs/dbraw/zinc/26/36/92/495263692.db2.gz ZPSCVYFXNDJAPD-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120063312 495299608 /nfs/dbraw/zinc/29/96/08/495299608.db2.gz UAQCADHDUJLMSU-JSGCOSHPSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120063312 495299611 /nfs/dbraw/zinc/29/96/11/495299611.db2.gz UAQCADHDUJLMSU-JSGCOSHPSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135889595 495341680 /nfs/dbraw/zinc/34/16/80/495341680.db2.gz JALFFOUJNJBAAN-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000130476456 495398684 /nfs/dbraw/zinc/39/86/84/495398684.db2.gz SQANSVLOGOYYQS-DOMZBBRYSA-N 1 2 365.842 3.485 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000130476456 495398687 /nfs/dbraw/zinc/39/86/87/495398687.db2.gz SQANSVLOGOYYQS-DOMZBBRYSA-N 1 2 365.842 3.485 20 5 FGBDLO Cc1c(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000114805569 495428299 /nfs/dbraw/zinc/42/82/99/495428299.db2.gz SEWFDDYODTZYTO-HNNXBMFYSA-N 1 2 369.425 3.209 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000176320923 495598744 /nfs/dbraw/zinc/59/87/44/495598744.db2.gz GLLUCJSEDBFYHH-CQSZACIVSA-N 1 2 359.430 3.316 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000182600003 495630204 /nfs/dbraw/zinc/63/02/04/495630204.db2.gz FJRUDBRDBFECAO-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000170931548 495657271 /nfs/dbraw/zinc/65/72/71/495657271.db2.gz GQTXPEDLNVEGEJ-UHFFFAOYSA-N 1 2 359.386 3.012 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000182790270 495703369 /nfs/dbraw/zinc/70/33/69/495703369.db2.gz DSZIGINZWPBVDR-GFCCVEGCSA-N 1 2 363.355 3.482 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000179860266 495761802 /nfs/dbraw/zinc/76/18/02/495761802.db2.gz BTEFEAQWDOPVNI-UHFFFAOYSA-N 1 2 363.421 3.307 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000179860266 495761804 /nfs/dbraw/zinc/76/18/04/495761804.db2.gz BTEFEAQWDOPVNI-UHFFFAOYSA-N 1 2 363.421 3.307 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176800909 495789706 /nfs/dbraw/zinc/78/97/06/495789706.db2.gz XBKIMAUOWCQBHG-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180071926 495845383 /nfs/dbraw/zinc/84/53/83/495845383.db2.gz SXDIQMCWGWSFJC-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180071926 495845389 /nfs/dbraw/zinc/84/53/89/495845389.db2.gz SXDIQMCWGWSFJC-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017935 495885135 /nfs/dbraw/zinc/88/51/35/495885135.db2.gz TXTPHOSBOGJOMM-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017935 495885137 /nfs/dbraw/zinc/88/51/37/495885137.db2.gz TXTPHOSBOGJOMM-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180195098 495901238 /nfs/dbraw/zinc/90/12/38/495901238.db2.gz ZHLXHKWWRXITMY-UHFFFAOYSA-N 1 2 372.368 3.002 20 5 FGBDLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180195098 495901242 /nfs/dbraw/zinc/90/12/42/495901242.db2.gz ZHLXHKWWRXITMY-UHFFFAOYSA-N 1 2 372.368 3.002 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000183298176 495919909 /nfs/dbraw/zinc/91/99/09/495919909.db2.gz XVEUGDHYMPDCMM-OKACTXMXSA-N 1 2 368.437 3.213 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186392792 495980078 /nfs/dbraw/zinc/98/00/78/495980078.db2.gz DJDBJANTYRFJPC-UHFFFAOYSA-N 1 2 372.450 3.064 20 5 FGBDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OC ZINC000155945771 496114320 /nfs/dbraw/zinc/11/43/20/496114320.db2.gz YTZLGWZQFTYSRS-UHFFFAOYSA-N 1 2 354.366 3.410 20 5 FGBDLO COc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000172113328 496171432 /nfs/dbraw/zinc/17/14/32/496171432.db2.gz PQHZNHVLEOWQHS-UHFFFAOYSA-N 1 2 356.407 3.412 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000177781065 496192582 /nfs/dbraw/zinc/19/25/82/496192582.db2.gz KNTHAQJKSZGOJI-ZQIUZPCESA-N 1 2 357.414 3.145 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000177781096 496192651 /nfs/dbraw/zinc/19/26/51/496192651.db2.gz KNTHAQJKSZGOJI-GRDNDAEWSA-N 1 2 357.414 3.145 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152799012 496260553 /nfs/dbraw/zinc/26/05/53/496260553.db2.gz RCKOYZXXGIFRBN-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152799012 496260558 /nfs/dbraw/zinc/26/05/58/496260558.db2.gz RCKOYZXXGIFRBN-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175145193 496266115 /nfs/dbraw/zinc/26/61/15/496266115.db2.gz BBQRYDZNMOKMAZ-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175145193 496266119 /nfs/dbraw/zinc/26/61/19/496266119.db2.gz BBQRYDZNMOKMAZ-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172413839 496288495 /nfs/dbraw/zinc/28/84/95/496288495.db2.gz CQVDSIRPIZDVQD-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO O=C(NC1(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187178469 496327395 /nfs/dbraw/zinc/32/73/95/496327395.db2.gz XFUNDLWZLVURFM-UHFFFAOYSA-N 1 2 362.389 3.286 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC000153169478 496372741 /nfs/dbraw/zinc/37/27/41/496372741.db2.gz POHJHFUWGMTORV-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC000153169478 496372744 /nfs/dbraw/zinc/37/27/44/496372744.db2.gz POHJHFUWGMTORV-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153284082 496407879 /nfs/dbraw/zinc/40/78/79/496407879.db2.gz BAMGBWYBDWMBSU-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153284082 496407888 /nfs/dbraw/zinc/40/78/88/496407888.db2.gz BAMGBWYBDWMBSU-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172788348 496432418 /nfs/dbraw/zinc/43/24/18/496432418.db2.gz IFOAIQZWCUWEOH-CQSZACIVSA-N 1 2 362.389 3.368 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178420511 496449833 /nfs/dbraw/zinc/44/98/33/496449833.db2.gz CLQQWOAVROSFMM-UHFFFAOYSA-N 1 2 372.406 3.403 20 5 FGBDLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000153651881 496533193 /nfs/dbraw/zinc/53/31/93/496533193.db2.gz ZSJJUHNVCJZUAM-OAHLLOKOSA-N 1 2 369.425 3.209 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184873910 496565834 /nfs/dbraw/zinc/56/58/34/496565834.db2.gz IKOZCTXVRULZLR-LBPRGKRZSA-N 1 2 366.377 3.200 20 5 FGBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000153769058 496573283 /nfs/dbraw/zinc/57/32/83/496573283.db2.gz ZKVWIGKGLPWVRK-GOSISDBHSA-N 1 2 371.437 3.124 20 5 FGBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000153769058 496573292 /nfs/dbraw/zinc/57/32/92/496573292.db2.gz ZKVWIGKGLPWVRK-GOSISDBHSA-N 1 2 371.437 3.124 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187960158 496632763 /nfs/dbraw/zinc/63/27/63/496632763.db2.gz SOYPKILVSFRFIX-KRWDZBQOSA-N 1 2 356.357 3.345 20 5 FGBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000185046141 496635998 /nfs/dbraw/zinc/63/59/98/496635998.db2.gz DLIRJRRGRPDJTN-LLVKDONJSA-N 1 2 354.819 3.384 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3C)c2cc1C ZINC000154011102 496654440 /nfs/dbraw/zinc/65/44/40/496654440.db2.gz WBQBRICXXFWPJH-MRXNPFEDSA-N 1 2 355.394 3.310 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000154109149 496685714 /nfs/dbraw/zinc/68/57/14/496685714.db2.gz GCCHZHVLWPARFW-NSHDSACASA-N 1 2 350.444 3.367 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC000277392131 496757868 /nfs/dbraw/zinc/75/78/68/496757868.db2.gz KLAZSKGRMIMJLL-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000580921197 505868302 /nfs/dbraw/zinc/86/83/02/505868302.db2.gz VNHNRYYVLYNBNV-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264219680 496841950 /nfs/dbraw/zinc/84/19/50/496841950.db2.gz KLBJBHYZGRDZJO-AWEZNQCLSA-N 1 2 355.394 3.240 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000273617774 496854946 /nfs/dbraw/zinc/85/49/46/496854946.db2.gz PUGQYKOEOOREAB-ZETCQYMHSA-N 1 2 374.369 3.216 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247536447 496882790 /nfs/dbraw/zinc/88/27/90/496882790.db2.gz JTXISTHDVBPHFJ-VKJFTORMSA-N 1 2 371.441 3.453 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)oc1C ZINC000264722999 496972483 /nfs/dbraw/zinc/97/24/83/496972483.db2.gz IAHPBKWDDQRROE-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265122340 497052796 /nfs/dbraw/zinc/05/27/96/497052796.db2.gz DMHYHWAMAAZHOW-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1[N+](=O)[O-] ZINC000189417846 497111898 /nfs/dbraw/zinc/11/18/98/497111898.db2.gz WXHRNUJTDHWAQL-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1[N+](=O)[O-] ZINC000189417846 497111904 /nfs/dbraw/zinc/11/19/04/497111904.db2.gz WXHRNUJTDHWAQL-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000189759559 497235069 /nfs/dbraw/zinc/23/50/69/497235069.db2.gz JRWANFWTJFRNMS-NSHDSACASA-N 1 2 371.784 3.320 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000249746606 497240288 /nfs/dbraw/zinc/24/02/88/497240288.db2.gz ZYJJBRIYCDOUAT-OCCSQVGLSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000249746606 497240293 /nfs/dbraw/zinc/24/02/93/497240293.db2.gz ZYJJBRIYCDOUAT-OCCSQVGLSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271091806 497263071 /nfs/dbraw/zinc/26/30/71/497263071.db2.gz LFEZWRHSSCTUAB-CYBMUJFWSA-N 1 2 360.389 3.021 20 5 FGBDLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000189984399 497315324 /nfs/dbraw/zinc/31/53/24/497315324.db2.gz CXAMIXMBFIJLFW-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO Cc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279048309 497316154 /nfs/dbraw/zinc/31/61/54/497316154.db2.gz YRGXNDTXPWSQSW-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO CCc1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000254985904 497354197 /nfs/dbraw/zinc/35/41/97/497354197.db2.gz HKLNAWWRWNNIRN-ALCCZGGFSA-N 1 2 372.494 3.445 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000279277966 497392314 /nfs/dbraw/zinc/39/23/14/497392314.db2.gz XDWCNEBJYQUOIV-KRWDZBQOSA-N 1 2 354.410 3.184 20 5 FGBDLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)cc12 ZINC000261372337 497408047 /nfs/dbraw/zinc/40/80/47/497408047.db2.gz IRFQWSVFYHSYFE-UHFFFAOYSA-N 1 2 359.817 3.470 20 5 FGBDLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)cc12 ZINC000261372337 497408053 /nfs/dbraw/zinc/40/80/53/497408053.db2.gz IRFQWSVFYHSYFE-UHFFFAOYSA-N 1 2 359.817 3.470 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000279901291 497582033 /nfs/dbraw/zinc/58/20/33/497582033.db2.gz ZSSVJOAEMPPZRD-UHFFFAOYSA-N 1 2 354.366 3.323 20 5 FGBDLO CCCCCC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267630041 497590958 /nfs/dbraw/zinc/59/09/58/497590958.db2.gz SFEBYOSQCRKERY-UHFFFAOYSA-N 1 2 374.441 3.397 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883135 497679019 /nfs/dbraw/zinc/67/90/19/497679019.db2.gz JCRWQWSXLFWHSS-OAHLLOKOSA-N 1 2 371.441 3.369 20 5 FGBDLO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883135 497679025 /nfs/dbraw/zinc/67/90/25/497679025.db2.gz JCRWQWSXLFWHSS-OAHLLOKOSA-N 1 2 371.441 3.369 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272624861 497683014 /nfs/dbraw/zinc/68/30/14/497683014.db2.gz JIVNAAATNASBHY-CQSZACIVSA-N 1 2 364.427 3.052 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272624861 497683015 /nfs/dbraw/zinc/68/30/15/497683015.db2.gz JIVNAAATNASBHY-CQSZACIVSA-N 1 2 364.427 3.052 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000575244112 505950090 /nfs/dbraw/zinc/95/00/90/505950090.db2.gz VMDUDWOAPOOVAK-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccccn2)C1 ZINC000575244112 505950093 /nfs/dbraw/zinc/95/00/93/505950093.db2.gz VMDUDWOAPOOVAK-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301130690 497965624 /nfs/dbraw/zinc/96/56/24/497965624.db2.gz YDOKFYTZGCPPBZ-OAHLLOKOSA-N 1 2 364.409 3.467 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000301339973 498064287 /nfs/dbraw/zinc/06/42/87/498064287.db2.gz IDCFSMCIUGMZOV-UHFFFAOYSA-N 1 2 374.784 3.337 20 5 FGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000301451471 498115886 /nfs/dbraw/zinc/11/58/86/498115886.db2.gz UFCQONRALIIJKT-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3Br)cn21 ZINC000301556502 498162025 /nfs/dbraw/zinc/16/20/25/498162025.db2.gz SIRHTBOJTOFQGR-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO COC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301593231 498178486 /nfs/dbraw/zinc/17/84/86/498178486.db2.gz YYYDMQJHGAGHQR-UHFFFAOYSA-N 1 2 370.409 3.166 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000331455321 498337220 /nfs/dbraw/zinc/33/72/20/498337220.db2.gz CZVSAXAWQFPFAP-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000331455321 498337225 /nfs/dbraw/zinc/33/72/25/498337225.db2.gz CZVSAXAWQFPFAP-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000301972627 498349628 /nfs/dbraw/zinc/34/96/28/498349628.db2.gz ILJRXFGAMGKXGK-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027483 498374837 /nfs/dbraw/zinc/37/48/37/498374837.db2.gz QWTKFOURRGOEQU-ZDUSSCGKSA-N 1 2 371.466 3.065 20 5 FGBDLO CCCc1nc(C)c(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000293848482 498510108 /nfs/dbraw/zinc/51/01/08/498510108.db2.gz XDQQAQJDWKAASP-GOSISDBHSA-N 1 2 369.425 3.456 20 5 FGBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)s1 ZINC000332086586 498556999 /nfs/dbraw/zinc/55/69/99/498556999.db2.gz HEUUUPKMIZLNEX-UHFFFAOYSA-N 1 2 365.480 3.293 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000576006671 506054713 /nfs/dbraw/zinc/05/47/13/506054713.db2.gz LLSPCBAGJVHPFK-UHFFFAOYSA-N 1 2 370.434 3.232 20 5 FGBDLO COC(=O)c1cnc(Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000302788546 498576061 /nfs/dbraw/zinc/57/60/61/498576061.db2.gz XKSUFKLVKBVYIA-UHFFFAOYSA-N 1 2 356.382 3.429 20 5 FGBDLO CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000578968512 506063915 /nfs/dbraw/zinc/06/39/15/506063915.db2.gz XLFVUXRWVJIGSY-LBPRGKRZSA-N 1 2 367.203 3.208 20 5 FGBDLO C[C@]12CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298228098 498702246 /nfs/dbraw/zinc/70/22/46/498702246.db2.gz GZDOWWLAMATJIS-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298228098 498702251 /nfs/dbraw/zinc/70/22/51/498702251.db2.gz GZDOWWLAMATJIS-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332650073 498753114 /nfs/dbraw/zinc/75/31/14/498753114.db2.gz NCNXXVLGMHWYIT-CYBMUJFWSA-N 1 2 356.426 3.142 20 5 FGBDLO COc1cc(NC2CC[NH+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1F ZINC000366058801 498755578 /nfs/dbraw/zinc/75/55/78/498755578.db2.gz GRVCTYHMIYPZGB-UHFFFAOYSA-N 1 2 366.418 3.276 20 5 FGBDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000576175325 506094170 /nfs/dbraw/zinc/09/41/70/506094170.db2.gz YNAGREUTELFZPQ-UHFFFAOYSA-N 1 2 370.405 3.404 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000283438789 498886421 /nfs/dbraw/zinc/88/64/21/498886421.db2.gz JVTRNEYUWCBLDA-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000576307066 506126480 /nfs/dbraw/zinc/12/64/80/506126480.db2.gz ZPLJVBAAIKHZFX-UHFFFAOYSA-N 1 2 354.414 3.001 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000283990585 499026937 /nfs/dbraw/zinc/02/69/37/499026937.db2.gz MTQLSAUVTUHUEL-LLVKDONJSA-N 1 2 361.789 3.044 20 5 FGBDLO Cc1c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000372837944 499182749 /nfs/dbraw/zinc/18/27/49/499182749.db2.gz LEQVYDMLGOIREQ-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000372837944 499182751 /nfs/dbraw/zinc/18/27/51/499182751.db2.gz LEQVYDMLGOIREQ-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000370235224 499200303 /nfs/dbraw/zinc/20/03/03/499200303.db2.gz DLFACBGMWOATMJ-GFCCVEGCSA-N 1 2 368.409 3.363 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000370235224 499200305 /nfs/dbraw/zinc/20/03/05/499200305.db2.gz DLFACBGMWOATMJ-GFCCVEGCSA-N 1 2 368.409 3.363 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000369019224 499357736 /nfs/dbraw/zinc/35/77/36/499357736.db2.gz ONXFDNNGMPMOOA-AWEZNQCLSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000369019224 499357738 /nfs/dbraw/zinc/35/77/38/499357738.db2.gz ONXFDNNGMPMOOA-AWEZNQCLSA-N 1 2 370.438 3.147 20 5 FGBDLO CCc1nc(CN2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000369042676 499359558 /nfs/dbraw/zinc/35/95/58/499359558.db2.gz URICGVJHACVFGB-UHFFFAOYSA-N 1 2 366.512 3.383 20 5 FGBDLO CCc1nc(CN2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000369042676 499359560 /nfs/dbraw/zinc/35/95/60/499359560.db2.gz URICGVJHACVFGB-UHFFFAOYSA-N 1 2 366.512 3.383 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000369042676 499359562 /nfs/dbraw/zinc/35/95/62/499359562.db2.gz URICGVJHACVFGB-UHFFFAOYSA-N 1 2 366.512 3.383 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000369042676 499359564 /nfs/dbraw/zinc/35/95/64/499359564.db2.gz URICGVJHACVFGB-UHFFFAOYSA-N 1 2 366.512 3.383 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000373570148 499477382 /nfs/dbraw/zinc/47/73/82/499477382.db2.gz YFLRDKPIQWYPKA-INIZCTEOSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000373570148 499477383 /nfs/dbraw/zinc/47/73/83/499477383.db2.gz YFLRDKPIQWYPKA-INIZCTEOSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)c1 ZINC000373585702 499478181 /nfs/dbraw/zinc/47/81/81/499478181.db2.gz NZRWVIWFXPULRG-CYBMUJFWSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)c1 ZINC000373585702 499478182 /nfs/dbraw/zinc/47/81/82/499478182.db2.gz NZRWVIWFXPULRG-CYBMUJFWSA-N 1 2 371.372 3.423 20 5 FGBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000378216727 499491181 /nfs/dbraw/zinc/49/11/81/499491181.db2.gz KDDUTVZXFYWSSP-UHFFFAOYSA-N 1 2 354.332 3.443 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283133 499502833 /nfs/dbraw/zinc/50/28/33/499502833.db2.gz CLKFTKQMMUCIFP-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283133 499502834 /nfs/dbraw/zinc/50/28/34/499502834.db2.gz CLKFTKQMMUCIFP-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000378376278 499508763 /nfs/dbraw/zinc/50/87/63/499508763.db2.gz IUGSMTKKWWYCMX-UHFFFAOYSA-N 1 2 364.405 3.244 20 5 FGBDLO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000408102362 499576467 /nfs/dbraw/zinc/57/64/67/499576467.db2.gz FGTFQBCRURKEHZ-YGRLFVJLSA-N 1 2 360.241 3.059 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000376450471 499609654 /nfs/dbraw/zinc/60/96/54/499609654.db2.gz QDOZXWFZPHGANK-LLVKDONJSA-N 1 2 356.411 3.075 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2cn(CCOC)nc21 ZINC000376503859 499613346 /nfs/dbraw/zinc/61/33/46/499613346.db2.gz DSSQICDHUZABSL-KRWDZBQOSA-N 1 2 374.441 3.004 20 5 FGBDLO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](Cc4cscn4)CC3)ccc2c1 ZINC000377539373 499702015 /nfs/dbraw/zinc/70/20/15/499702015.db2.gz FMKGKZTVFMVYEC-UHFFFAOYSA-N 1 2 369.450 3.098 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1OC(F)F ZINC000411478949 499745909 /nfs/dbraw/zinc/74/59/09/499745909.db2.gz LHOLWFYPKWEHPK-UHFFFAOYSA-N 1 2 365.336 3.158 20 5 FGBDLO COc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1OC(F)F ZINC000411478949 499745910 /nfs/dbraw/zinc/74/59/10/499745910.db2.gz LHOLWFYPKWEHPK-UHFFFAOYSA-N 1 2 365.336 3.158 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000412378586 499850039 /nfs/dbraw/zinc/85/00/39/499850039.db2.gz URTDFMJIDKNIAG-INIZCTEOSA-N 1 2 372.425 3.339 20 5 FGBDLO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000413121375 499916505 /nfs/dbraw/zinc/91/65/05/499916505.db2.gz VCRFJUXRYJCYTC-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000413121375 499916506 /nfs/dbraw/zinc/91/65/06/499916506.db2.gz VCRFJUXRYJCYTC-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO CCc1cnc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000413166568 499921661 /nfs/dbraw/zinc/92/16/61/499921661.db2.gz IVSNBPGUZRTVIZ-UHFFFAOYSA-N 1 2 369.450 3.489 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCN(c4cc(C5CC5)[nH]n4)CC3)c2c1 ZINC000413254694 499933022 /nfs/dbraw/zinc/93/30/22/499933022.db2.gz ZAWWRUMLNFXSMG-UHFFFAOYSA-N 1 2 364.409 3.070 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3oc(CC)nc3C)CC2)ccc1[N+](=O)[O-] ZINC000428956101 499968407 /nfs/dbraw/zinc/96/84/07/499968407.db2.gz MOFQMRGNVNDYPQ-UHFFFAOYSA-N 1 2 374.441 3.175 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130236 500008668 /nfs/dbraw/zinc/00/86/68/500008668.db2.gz UGCXDQVNAXGGLZ-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130236 500008669 /nfs/dbraw/zinc/00/86/69/500008669.db2.gz UGCXDQVNAXGGLZ-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421318273 500015907 /nfs/dbraw/zinc/01/59/07/500015907.db2.gz DGDROJYTAUIZLT-UHFFFAOYSA-N 1 2 365.433 3.430 20 5 FGBDLO COC(=O)C1([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000425411404 500096546 /nfs/dbraw/zinc/09/65/46/500096546.db2.gz CVNDITNVPDBWMZ-UHFFFAOYSA-N 1 2 371.231 3.275 20 5 FGBDLO COC(=O)C1([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000425411404 500096549 /nfs/dbraw/zinc/09/65/49/500096549.db2.gz CVNDITNVPDBWMZ-UHFFFAOYSA-N 1 2 371.231 3.275 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000430226062 500211871 /nfs/dbraw/zinc/21/18/71/500211871.db2.gz ZOSQQLPUJXUIDF-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000430226062 500211874 /nfs/dbraw/zinc/21/18/74/500211874.db2.gz ZOSQQLPUJXUIDF-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000430262867 500217873 /nfs/dbraw/zinc/21/78/73/500217873.db2.gz ZBGWIXMGPJPBBO-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000430262867 500217876 /nfs/dbraw/zinc/21/78/76/500217876.db2.gz ZBGWIXMGPJPBBO-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO Cc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)[nH+]1 ZINC000422217595 500236405 /nfs/dbraw/zinc/23/64/05/500236405.db2.gz WVRJTYRBTLBPKQ-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929243 500533804 /nfs/dbraw/zinc/53/38/04/500533804.db2.gz QDWMBLJCNRUMPJ-QWHCGFSZSA-N 1 2 374.441 3.413 20 5 FGBDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929243 500533806 /nfs/dbraw/zinc/53/38/06/500533806.db2.gz QDWMBLJCNRUMPJ-QWHCGFSZSA-N 1 2 374.441 3.413 20 5 FGBDLO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436970729 500582659 /nfs/dbraw/zinc/58/26/59/500582659.db2.gz GCAIWBNFDCPHJD-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436970729 500582660 /nfs/dbraw/zinc/58/26/60/500582660.db2.gz GCAIWBNFDCPHJD-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC1CCN(c2ccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)CC1 ZINC000447684474 500645008 /nfs/dbraw/zinc/64/50/08/500645008.db2.gz BDGTXOBJPJUKFK-UHFFFAOYSA-N 1 2 366.425 3.136 20 5 FGBDLO C[C@@H](CCc1ccco1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816400 500668779 /nfs/dbraw/zinc/66/87/79/500668779.db2.gz JDCJOAKDTXEFQK-HNNXBMFYSA-N 1 2 359.426 3.453 20 5 FGBDLO O=C1[C@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1CC(F)(F)F ZINC000447889332 500686504 /nfs/dbraw/zinc/68/65/04/500686504.db2.gz HHLPHMZQOTYREE-OAHLLOKOSA-N 1 2 371.359 3.113 20 5 FGBDLO O=C1[C@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1CC(F)(F)F ZINC000447889332 500686507 /nfs/dbraw/zinc/68/65/07/500686507.db2.gz HHLPHMZQOTYREE-OAHLLOKOSA-N 1 2 371.359 3.113 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444086122 500800906 /nfs/dbraw/zinc/80/09/06/500800906.db2.gz WVKZNUMTHAAUSS-UHFFFAOYSA-N 1 2 374.444 3.464 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1 ZINC000444601700 500864770 /nfs/dbraw/zinc/86/47/70/500864770.db2.gz WWDBVZRNPGPUFF-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1 ZINC000444601700 500864773 /nfs/dbraw/zinc/86/47/73/500864773.db2.gz WWDBVZRNPGPUFF-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000596027435 506221417 /nfs/dbraw/zinc/22/14/17/506221417.db2.gz DCTMHRJFOUYYNU-UHFFFAOYSA-N 1 2 372.400 3.435 20 5 FGBDLO COc1ccc(C[NH2+]Cc2nc(C)c(Br)s2)cc1[N+](=O)[O-] ZINC000449399821 500995117 /nfs/dbraw/zinc/99/51/17/500995117.db2.gz DQMLNOTWWYZKHK-UHFFFAOYSA-N 1 2 372.244 3.421 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413069 501115522 /nfs/dbraw/zinc/11/55/22/501115522.db2.gz RTXDPDCGPZEKLC-NVXWUHKLSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413069 501115526 /nfs/dbraw/zinc/11/55/26/501115526.db2.gz RTXDPDCGPZEKLC-NVXWUHKLSA-N 1 2 362.817 3.127 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450445231 501123307 /nfs/dbraw/zinc/12/33/07/501123307.db2.gz FRPPZHITNPTQFR-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450445230 501123423 /nfs/dbraw/zinc/12/34/23/501123423.db2.gz FRPPZHITNPTQFR-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCCC[C@@H]21 ZINC000450538065 501148497 /nfs/dbraw/zinc/14/84/97/501148497.db2.gz YDOFDDYWRDAJQM-FVQBIDKESA-N 1 2 354.410 3.431 20 5 FGBDLO C[C@@H](C1CC1)n1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC000450789975 501209442 /nfs/dbraw/zinc/20/94/42/501209442.db2.gz XGKUMHHUKIIKME-LBPRGKRZSA-N 1 2 366.381 3.200 20 5 FGBDLO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450803493 501211247 /nfs/dbraw/zinc/21/12/47/501211247.db2.gz AVPOCRINJBXZRA-RYRKJORJSA-N 1 2 368.437 3.348 20 5 FGBDLO COC(=O)c1c(Cl)c(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000596080282 506245530 /nfs/dbraw/zinc/24/55/30/506245530.db2.gz FTDAVTUVKKXWJR-UHFFFAOYSA-N 1 2 364.789 3.344 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000451797535 501373778 /nfs/dbraw/zinc/37/37/78/501373778.db2.gz KDIPIRWTNGVGFS-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000451797535 501373781 /nfs/dbraw/zinc/37/37/81/501373781.db2.gz KDIPIRWTNGVGFS-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000452333353 501479928 /nfs/dbraw/zinc/47/99/28/501479928.db2.gz PQHVGWIRHMBBMO-UHFFFAOYSA-N 1 2 354.288 3.399 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456335569 501501540 /nfs/dbraw/zinc/50/15/40/501501540.db2.gz AGCJUHSEDUNZCY-VIFPVBQESA-N 1 2 356.304 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000456391091 501515656 /nfs/dbraw/zinc/51/56/56/501515656.db2.gz PCBKCNURLFNIGV-SNVBAGLBSA-N 1 2 364.427 3.033 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cccnc3N3CCCC3)nc2c1 ZINC000602707597 506268835 /nfs/dbraw/zinc/26/88/35/506268835.db2.gz NWLVLXCBRVFRMR-UHFFFAOYSA-N 1 2 353.382 3.021 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000460461881 501828930 /nfs/dbraw/zinc/82/89/30/501828930.db2.gz MYJJLLXDKHCDBY-UHFFFAOYSA-N 1 2 374.828 3.350 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904921 501848170 /nfs/dbraw/zinc/84/81/70/501848170.db2.gz BHFGEFWJNCSVAE-QLJPJBMISA-N 1 2 372.368 3.204 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904921 501848174 /nfs/dbraw/zinc/84/81/74/501848174.db2.gz BHFGEFWJNCSVAE-QLJPJBMISA-N 1 2 372.368 3.204 20 5 FGBDLO Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000460532240 501851550 /nfs/dbraw/zinc/85/15/50/501851550.db2.gz DAVDDWCEHSFQBL-CYBMUJFWSA-N 1 2 368.393 3.433 20 5 FGBDLO Cc1c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000474662001 501913366 /nfs/dbraw/zinc/91/33/66/501913366.db2.gz YYGWXUDCQDKKEU-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000474662001 501913373 /nfs/dbraw/zinc/91/33/73/501913373.db2.gz YYGWXUDCQDKKEU-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000461092766 502010507 /nfs/dbraw/zinc/01/05/07/502010507.db2.gz RBHKTNREBGDJQQ-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000475496247 502190219 /nfs/dbraw/zinc/19/02/19/502190219.db2.gz XVEMPTHAGWOSIC-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000475719774 502262867 /nfs/dbraw/zinc/26/28/67/502262867.db2.gz WBIQNISVQSFLQM-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000483119008 502280474 /nfs/dbraw/zinc/28/04/74/502280474.db2.gz JECNXPOZMZHPFW-UHFFFAOYSA-N 1 2 360.320 3.194 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000599079222 506313389 /nfs/dbraw/zinc/31/33/89/506313389.db2.gz CXNPLBBSWVEKSE-OAHLLOKOSA-N 1 2 355.316 3.427 20 5 FGBDLO O=C(N1CCCC1)N1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599083231 506315111 /nfs/dbraw/zinc/31/51/11/506315111.db2.gz WAQRITJNXUOWGE-HNNXBMFYSA-N 1 2 369.425 3.235 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000599084452 506316257 /nfs/dbraw/zinc/31/62/57/506316257.db2.gz XTYKXSHHFLWYDE-XLIONFOSSA-N 1 2 367.380 3.447 20 5 FGBDLO Cc1cc(N2CC[NH+](C3CCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473510822 502616472 /nfs/dbraw/zinc/61/64/72/502616472.db2.gz UUECIXXBMJAPNE-UHFFFAOYSA-N 1 2 354.248 3.340 20 5 FGBDLO Cn1cc([C@@H]2C[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCO2)cn1 ZINC000599108171 506324771 /nfs/dbraw/zinc/32/47/71/506324771.db2.gz NMSZJBNGZXFUBK-PBHICJAKSA-N 1 2 353.382 3.209 20 5 FGBDLO CNc1c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cccc1[N+](=O)[O-] ZINC000462925906 502628456 /nfs/dbraw/zinc/62/84/56/502628456.db2.gz NIMZWMSIXIYYBR-UHFFFAOYSA-N 1 2 351.366 3.289 20 5 FGBDLO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC(F)F)CC2)c(C(F)(F)F)c1 ZINC000596238819 506325075 /nfs/dbraw/zinc/32/50/75/506325075.db2.gz LZAYMPNWTOKAQS-UHFFFAOYSA-N 1 2 368.306 3.398 20 5 FGBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480710021 502649750 /nfs/dbraw/zinc/64/97/50/502649750.db2.gz KJAJBDSTVPJPJC-MRXNPFEDSA-N 1 2 373.457 3.378 20 5 FGBDLO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(-c2ccncc2)[nH+]1 ZINC000477112235 502680555 /nfs/dbraw/zinc/68/05/55/502680555.db2.gz IEQPFHWKYVYJSS-UHFFFAOYSA-N 1 2 369.812 3.485 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000593006061 506331725 /nfs/dbraw/zinc/33/17/25/506331725.db2.gz DVSFOUXRBQRRGC-IFXJQAMLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000593006061 506331731 /nfs/dbraw/zinc/33/17/31/506331731.db2.gz DVSFOUXRBQRRGC-IFXJQAMLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000596258201 506332574 /nfs/dbraw/zinc/33/25/74/506332574.db2.gz XERSKYHMIUYOTJ-PSASIEDQSA-N 1 2 350.762 3.349 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000513147348 502864210 /nfs/dbraw/zinc/86/42/10/502864210.db2.gz ASBXIQVWXQDOMB-GOSISDBHSA-N 1 2 364.348 3.441 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500860453 502879845 /nfs/dbraw/zinc/87/98/45/502879845.db2.gz OCRDWIREWOKFEI-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500860453 502879848 /nfs/dbraw/zinc/87/98/48/502879848.db2.gz OCRDWIREWOKFEI-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccncc1F ZINC000509444894 502905557 /nfs/dbraw/zinc/90/55/57/502905557.db2.gz XFBZAFGBCDKEFN-CYBMUJFWSA-N 1 2 360.389 3.134 20 5 FGBDLO Cc1cc(NCCc2ccc(O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489247958 502910739 /nfs/dbraw/zinc/91/07/39/502910739.db2.gz KZJSLOSMGWYTGG-UHFFFAOYSA-N 1 2 350.378 3.142 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000509825886 502992907 /nfs/dbraw/zinc/99/29/07/502992907.db2.gz FLHCAAQJQWGXKT-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513666541 502995473 /nfs/dbraw/zinc/99/54/73/502995473.db2.gz MSPINNZBOKDOKR-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000489753925 503026188 /nfs/dbraw/zinc/02/61/88/503026188.db2.gz IFLOGBRWPQKZRN-CQSZACIVSA-N 1 2 371.441 3.212 20 5 FGBDLO Cc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000514625774 503152272 /nfs/dbraw/zinc/15/22/72/503152272.db2.gz JRQGGGXDAPWLRA-UHFFFAOYSA-N 1 2 363.421 3.481 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511111933 503257515 /nfs/dbraw/zinc/25/75/15/503257515.db2.gz WWBCQKOXLKMJIG-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511111933 503257518 /nfs/dbraw/zinc/25/75/18/503257518.db2.gz WWBCQKOXLKMJIG-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491250483 503290667 /nfs/dbraw/zinc/29/06/67/503290667.db2.gz SHAZFVSSTBXRHH-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511454591 503324656 /nfs/dbraw/zinc/32/46/56/503324656.db2.gz OLDGFFORQGMGBQ-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO O=c1ccccn1C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000503213341 503368845 /nfs/dbraw/zinc/36/88/45/503368845.db2.gz AUMGBWMMBGTMGK-SFHVURJKSA-N 1 2 367.380 3.427 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507801455 503369194 /nfs/dbraw/zinc/36/91/94/503369194.db2.gz LCDMPXSYLRFIFX-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000492728907 503382610 /nfs/dbraw/zinc/38/26/10/503382610.db2.gz QJVWUVHMJCZURK-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO Cc1cc(N2CCc3cc[nH]c(=O)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000493633696 503436077 /nfs/dbraw/zinc/43/60/77/503436077.db2.gz HQDQOLDYQJAOBB-UHFFFAOYSA-N 1 2 363.377 3.024 20 5 FGBDLO CCc1cc(NCC2(CCOC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000493841206 503449342 /nfs/dbraw/zinc/44/93/42/503449342.db2.gz FGTNGOMLHZMSNO-UHFFFAOYSA-N 1 2 356.426 3.265 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000503649432 503451124 /nfs/dbraw/zinc/45/11/24/503451124.db2.gz MGXMQUZDXQTRNB-ZDUSSCGKSA-N 1 2 374.466 3.460 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499796214 503484795 /nfs/dbraw/zinc/48/47/95/503484795.db2.gz MPULCMIPPNLDAS-UHFFFAOYSA-N 1 2 371.271 3.192 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000508463730 503498552 /nfs/dbraw/zinc/49/85/52/503498552.db2.gz BUWOKDFYPFYBFX-UHFFFAOYSA-N 1 2 352.394 3.268 20 5 FGBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500091561 503551646 /nfs/dbraw/zinc/55/16/46/503551646.db2.gz SXLPCBMDUHTSHM-KRWDZBQOSA-N 1 2 373.409 3.152 20 5 FGBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500091561 503551650 /nfs/dbraw/zinc/55/16/50/503551650.db2.gz SXLPCBMDUHTSHM-KRWDZBQOSA-N 1 2 373.409 3.152 20 5 FGBDLO O=c1ccccn1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000500475391 503632401 /nfs/dbraw/zinc/63/24/01/503632401.db2.gz IKLDGTOUWVXFKR-MRXNPFEDSA-N 1 2 355.419 3.349 20 5 FGBDLO Cc1cc(NCC[C@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000543207561 503679907 /nfs/dbraw/zinc/67/99/07/503679907.db2.gz AFPOHDLTMRXTKP-CABCVRRESA-N 1 2 356.426 3.399 20 5 FGBDLO Cc1ccn2cc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000546569820 503792466 /nfs/dbraw/zinc/79/24/66/503792466.db2.gz SLYLHTWVOALYGP-UHFFFAOYSA-N 1 2 370.384 3.284 20 5 FGBDLO Cc1cccc([C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000543793362 503896402 /nfs/dbraw/zinc/89/64/02/503896402.db2.gz FSBQUKVQRJVAPK-GOSISDBHSA-N 1 2 370.453 3.400 20 5 FGBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000541055413 503988945 /nfs/dbraw/zinc/98/89/45/503988945.db2.gz YNFFHBYJRWVFDK-QGZVFWFLSA-N 1 2 368.393 3.030 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237071 504054496 /nfs/dbraw/zinc/05/44/96/504054496.db2.gz GGDZIBMFDKTBAB-UHFFFAOYSA-N 1 2 356.426 3.053 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280560 504072491 /nfs/dbraw/zinc/07/24/91/504072491.db2.gz RDDPCWHRVXHQKH-GFCCVEGCSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280560 504072496 /nfs/dbraw/zinc/07/24/96/504072496.db2.gz RDDPCWHRVXHQKH-GFCCVEGCSA-N 1 2 368.792 3.259 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000530934112 504134747 /nfs/dbraw/zinc/13/47/47/504134747.db2.gz JCDFUHHTXGXTCZ-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1 ZINC000534509955 504159629 /nfs/dbraw/zinc/15/96/29/504159629.db2.gz RJCIQQFHZRSNRH-LJQANCHMSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1 ZINC000534509955 504159632 /nfs/dbraw/zinc/15/96/32/504159632.db2.gz RJCIQQFHZRSNRH-LJQANCHMSA-N 1 2 351.406 3.149 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000544608705 504190119 /nfs/dbraw/zinc/19/01/19/504190119.db2.gz XZMFALLQDRKQSZ-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000544608705 504190122 /nfs/dbraw/zinc/19/01/22/504190122.db2.gz XZMFALLQDRKQSZ-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)cn1 ZINC000544611510 504190950 /nfs/dbraw/zinc/19/09/50/504190950.db2.gz SRYQBRIOXOTZGW-UPHRSURJSA-N 1 2 360.364 3.103 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000534682127 504213347 /nfs/dbraw/zinc/21/33/47/504213347.db2.gz GYMFKCJHKIPDMZ-UHFFFAOYSA-N 1 2 360.395 3.143 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000541772477 504249810 /nfs/dbraw/zinc/24/98/10/504249810.db2.gz BLDRMDDCMSCBBB-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO C[C@@H](c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856660 504365313 /nfs/dbraw/zinc/36/53/13/504365313.db2.gz ISQGFYIVEKOYMK-UHOFOFEASA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@@H](c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856660 504365317 /nfs/dbraw/zinc/36/53/17/504365317.db2.gz ISQGFYIVEKOYMK-UHOFOFEASA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@H](c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856668 504365631 /nfs/dbraw/zinc/36/56/31/504365631.db2.gz ISQGFYIVEKOYMK-VBNZEHGJSA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@H](c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856668 504365639 /nfs/dbraw/zinc/36/56/39/504365639.db2.gz ISQGFYIVEKOYMK-VBNZEHGJSA-N 1 2 358.398 3.055 20 5 FGBDLO Cc1cccn2cc(-c3ccc(NC(=O)c4c[nH]nc4[N+](=O)[O-])cc3)[nH+]c12 ZINC000548411887 504435829 /nfs/dbraw/zinc/43/58/29/504435829.db2.gz INXNJCONLFAGON-UHFFFAOYSA-N 1 2 362.349 3.193 20 5 FGBDLO Cc1cc(N2CCC[C@]2(C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000542508050 504519345 /nfs/dbraw/zinc/51/93/45/504519345.db2.gz VJXCBUZQXYKZFM-LJQANCHMSA-N 1 2 356.426 3.492 20 5 FGBDLO CCn1c2ccccc2nc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000535775970 504541192 /nfs/dbraw/zinc/54/11/92/504541192.db2.gz RBFCHBUPTDDSPW-UHFFFAOYSA-N 1 2 365.437 3.287 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C)CC2)ccc1[N+](=O)[O-] ZINC000536100233 504634220 /nfs/dbraw/zinc/63/42/20/504634220.db2.gz ZPXQKNIKPVXTPM-UHFFFAOYSA-N 1 2 356.426 3.019 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000521061452 504641201 /nfs/dbraw/zinc/64/12/01/504641201.db2.gz ZWWVKUUQULXUDY-IBGZPJMESA-N 1 2 356.378 3.313 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000542942277 504666840 /nfs/dbraw/zinc/66/68/40/504666840.db2.gz OXOFTUZBMYZDEY-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000542942277 504666847 /nfs/dbraw/zinc/66/68/47/504666847.db2.gz OXOFTUZBMYZDEY-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000532658356 504727345 /nfs/dbraw/zinc/72/73/45/504727345.db2.gz JILQXBQNJLAEQM-UHFFFAOYSA-N 1 2 364.405 3.375 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536507452 504751038 /nfs/dbraw/zinc/75/10/38/504751038.db2.gz AQEIUKCPJPVJBE-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000521617368 504765008 /nfs/dbraw/zinc/76/50/08/504765008.db2.gz BTPJAOBYHATLCS-SNVBAGLBSA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000521617368 504765010 /nfs/dbraw/zinc/76/50/10/504765010.db2.gz BTPJAOBYHATLCS-SNVBAGLBSA-N 1 2 350.362 3.345 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000562718539 504921138 /nfs/dbraw/zinc/92/11/38/504921138.db2.gz FFZUGNIBYKTLFZ-UHFFFAOYSA-N 1 2 356.304 3.099 20 5 FGBDLO CC(=O)c1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000557618777 505184138 /nfs/dbraw/zinc/18/41/38/505184138.db2.gz QAGONMNOXDQNTG-UHFFFAOYSA-N 1 2 357.385 3.259 20 5 FGBDLO CO[C@@H]1[C@H]2C[C@H]3CN(c4cc(C)[nH+]c(-c5ccc([N+](=O)[O-])cc5)n4)[C@H]1[C@H]3C2 ZINC000557697392 505206334 /nfs/dbraw/zinc/20/63/34/505206334.db2.gz VIENQTSRVTVMLT-NZMUHZMNSA-N 1 2 366.421 3.220 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557716714 505211926 /nfs/dbraw/zinc/21/19/26/505211926.db2.gz ZGHXRSWHFKWQKE-UHFFFAOYSA-N 1 2 371.784 3.449 20 5 FGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463135 505436416 /nfs/dbraw/zinc/43/64/16/505436416.db2.gz YQEMAKRAUPXFQY-XHBSWPGZSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463135 505436419 /nfs/dbraw/zinc/43/64/19/505436419.db2.gz YQEMAKRAUPXFQY-XHBSWPGZSA-N 1 2 374.359 3.382 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000555524136 505445449 /nfs/dbraw/zinc/44/54/49/505445449.db2.gz FMXJUUDANINRBT-SFHVURJKSA-N 1 2 362.357 3.008 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000558822161 505503066 /nfs/dbraw/zinc/50/30/66/505503066.db2.gz VANAKHGBUPTMHO-UHFFFAOYSA-N 1 2 374.784 3.225 20 5 FGBDLO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552590052 505519192 /nfs/dbraw/zinc/51/91/92/505519192.db2.gz SNTALIZOSVOGLG-UHFFFAOYSA-N 1 2 361.442 3.077 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000559040354 505555769 /nfs/dbraw/zinc/55/57/69/505555769.db2.gz DOPRQNGGZPZWIT-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591169 506476434 /nfs/dbraw/zinc/47/64/34/506476434.db2.gz HMFVNTGDJUBNKF-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591169 506476438 /nfs/dbraw/zinc/47/64/38/506476438.db2.gz HMFVNTGDJUBNKF-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000599526656 506486734 /nfs/dbraw/zinc/48/67/34/506486734.db2.gz ORJMRNXAKMCZCW-UHFFFAOYSA-N 1 2 366.425 3.117 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000599526656 506486738 /nfs/dbraw/zinc/48/67/38/506486738.db2.gz ORJMRNXAKMCZCW-UHFFFAOYSA-N 1 2 366.425 3.117 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596636130 506502194 /nfs/dbraw/zinc/50/21/94/506502194.db2.gz ITJFUOGUDPMKDS-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000603579586 506564148 /nfs/dbraw/zinc/56/41/48/506564148.db2.gz KOTQLYFDKPQWSA-UHFFFAOYSA-N 1 2 360.377 3.360 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000589495410 506568939 /nfs/dbraw/zinc/56/89/39/506568939.db2.gz YTXWYHOHACRLTI-UHFFFAOYSA-N 1 2 369.421 3.012 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000589518392 506576120 /nfs/dbraw/zinc/57/61/20/506576120.db2.gz KZMJLNZLWLLXCC-UHFFFAOYSA-N 1 2 356.378 3.084 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000589518392 506576124 /nfs/dbraw/zinc/57/61/24/506576124.db2.gz KZMJLNZLWLLXCC-UHFFFAOYSA-N 1 2 356.378 3.084 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603840456 506629866 /nfs/dbraw/zinc/62/98/66/506629866.db2.gz FLCUTTYPQKATFS-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cn4cc(Cl)ccc4[nH+]3)cc2N1 ZINC000603845992 506632729 /nfs/dbraw/zinc/63/27/29/506632729.db2.gz UFDOYCUBJVHXHJ-UHFFFAOYSA-N 1 2 371.784 3.393 20 5 FGBDLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000583292517 506700363 /nfs/dbraw/zinc/70/03/63/506700363.db2.gz NUSAGZPABHQXMH-HNNXBMFYSA-N 1 2 364.405 3.260 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2COC[C@H]2O1 ZINC000593698068 506737931 /nfs/dbraw/zinc/73/79/31/506737931.db2.gz OQMRJLOWSVHXKO-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2COC[C@H]2O1 ZINC000593698068 506737933 /nfs/dbraw/zinc/73/79/33/506737933.db2.gz OQMRJLOWSVHXKO-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO Cc1ccn2cc(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000604199463 506748558 /nfs/dbraw/zinc/74/85/58/506748558.db2.gz SNVALBGJNNSYHO-ZDUSSCGKSA-N 1 2 370.434 3.348 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000600122329 506788792 /nfs/dbraw/zinc/78/87/92/506788792.db2.gz DGUATUDAKQGVTR-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000612991274 506854341 /nfs/dbraw/zinc/85/43/41/506854341.db2.gz JTSXUPFRUQUXHU-PLDWVVQRSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000612991274 506854349 /nfs/dbraw/zinc/85/43/49/506854349.db2.gz JTSXUPFRUQUXHU-PLDWVVQRSA-N 1 2 356.382 3.074 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000609441395 506881647 /nfs/dbraw/zinc/88/16/47/506881647.db2.gz LFRNOMKFEMRCHG-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000609440411 506882139 /nfs/dbraw/zinc/88/21/39/506882139.db2.gz ZZQLUUMOHIVIMT-CQSZACIVSA-N 1 2 359.430 3.162 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564181 506924228 /nfs/dbraw/zinc/92/42/28/506924228.db2.gz RBCBZKODJQWMJI-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000609663982 506965984 /nfs/dbraw/zinc/96/59/84/506965984.db2.gz CSHMPFGOWPTJCD-HNNXBMFYSA-N 1 2 367.327 3.045 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000610304646 507185769 /nfs/dbraw/zinc/18/57/69/507185769.db2.gz QYGFCOHMSOTEGM-QGZVFWFLSA-N 1 2 368.368 3.181 20 5 FGBDLO CC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000610525850 507277609 /nfs/dbraw/zinc/27/76/09/507277609.db2.gz SVNBDEDGCGSXPG-KRWDZBQOSA-N 1 2 352.394 3.361 20 5 FGBDLO Cc1noc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000595416148 507486731 /nfs/dbraw/zinc/48/67/31/507486731.db2.gz UYMKRQYEBFOBLY-UHFFFAOYSA-N 1 2 352.188 3.433 20 5 FGBDLO Cc1noc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595440962 507499827 /nfs/dbraw/zinc/49/98/27/507499827.db2.gz HXEDRAXBOHYSJJ-IHRRRGAJSA-N 1 2 365.430 3.366 20 5 FGBDLO Cc1noc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595440962 507499828 /nfs/dbraw/zinc/49/98/28/507499828.db2.gz HXEDRAXBOHYSJJ-IHRRRGAJSA-N 1 2 365.430 3.366 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000595477241 507518890 /nfs/dbraw/zinc/51/88/90/507518890.db2.gz RONKBZMHKSTXOP-UHFFFAOYSA-N 1 2 361.398 3.321 20 5 FGBDLO COc1ccc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000595477241 507518893 /nfs/dbraw/zinc/51/88/93/507518893.db2.gz RONKBZMHKSTXOP-UHFFFAOYSA-N 1 2 361.398 3.321 20 5 FGBDLO O=C1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000595540925 507550197 /nfs/dbraw/zinc/55/01/97/507550197.db2.gz AGIFPDCYTMMAPY-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000595540925 507550204 /nfs/dbraw/zinc/55/02/04/507550204.db2.gz AGIFPDCYTMMAPY-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000611265005 507590345 /nfs/dbraw/zinc/59/03/45/507590345.db2.gz IGJXYLGBMDYILA-JLTOFOAXSA-N 1 2 370.405 3.328 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000611265005 507590350 /nfs/dbraw/zinc/59/03/50/507590350.db2.gz IGJXYLGBMDYILA-JLTOFOAXSA-N 1 2 370.405 3.328 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595618018 507593347 /nfs/dbraw/zinc/59/33/47/507593347.db2.gz ZVZLEBLXMXAQDK-UHFFFAOYSA-N 1 2 359.382 3.015 20 5 FGBDLO CN(C)C(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611384858 507652957 /nfs/dbraw/zinc/65/29/57/507652957.db2.gz KPOIOJOVILXYMW-HNNXBMFYSA-N 1 2 368.393 3.045 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1Br ZINC000602486316 507724006 /nfs/dbraw/zinc/72/40/06/507724006.db2.gz SYIYAMZZDIEYEF-CABZTGNLSA-N 1 2 361.261 3.420 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1Br ZINC000602486316 507724010 /nfs/dbraw/zinc/72/40/10/507724010.db2.gz SYIYAMZZDIEYEF-CABZTGNLSA-N 1 2 361.261 3.420 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(CNC[C@H](c3ccco3)[NH+]3CCCC3)nc2c1 ZINC000602505970 507730579 /nfs/dbraw/zinc/73/05/79/507730579.db2.gz QYQJZUDIMDZXAR-OAHLLOKOSA-N 1 2 356.382 3.256 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910181 507737272 /nfs/dbraw/zinc/73/72/72/507737272.db2.gz HPEAHCZKMHVSHW-UHFFFAOYSA-N 1 2 351.406 3.463 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910181 507737278 /nfs/dbraw/zinc/73/72/78/507737278.db2.gz HPEAHCZKMHVSHW-UHFFFAOYSA-N 1 2 351.406 3.463 20 5 FGBDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000054321834 695939286 /nfs/dbraw/zinc/93/92/86/695939286.db2.gz WCQCJIYUIXRVFF-UHFFFAOYSA-N 1 2 369.849 3.324 20 5 FGBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000118953416 700616834 /nfs/dbraw/zinc/61/68/34/700616834.db2.gz MWGVNRADKQCFKD-UHFFFAOYSA-N 1 2 369.849 3.466 20 5 FGBDLO C[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121876697 700681703 /nfs/dbraw/zinc/68/17/03/700681703.db2.gz VSMALHXGRHEMJP-UHFFFAOYSA-N 1 2 357.801 3.461 20 5 FGBDLO C[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121876697 700681704 /nfs/dbraw/zinc/68/17/04/700681704.db2.gz VSMALHXGRHEMJP-UHFFFAOYSA-N 1 2 357.801 3.461 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000780764058 724499143 /nfs/dbraw/zinc/49/91/43/724499143.db2.gz VZOMZPWOCUSNHC-LBPRGKRZSA-N 1 2 360.361 3.260 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000732667388 722487063 /nfs/dbraw/zinc/48/70/63/722487063.db2.gz QKERQHQCISRROC-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880031 722538948 /nfs/dbraw/zinc/53/89/48/722538948.db2.gz RWLKIFYVQDAKPD-YPMHNXCESA-N 1 2 355.460 3.391 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880031 722538949 /nfs/dbraw/zinc/53/89/49/722538949.db2.gz RWLKIFYVQDAKPD-YPMHNXCESA-N 1 2 355.460 3.391 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000742237601 722553776 /nfs/dbraw/zinc/55/37/76/722553776.db2.gz MIEQQXHBLRLIGB-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000742237601 722553777 /nfs/dbraw/zinc/55/37/77/722553777.db2.gz MIEQQXHBLRLIGB-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000761508035 723160802 /nfs/dbraw/zinc/16/08/02/723160802.db2.gz QQFBYSRETSVIPD-UHFFFAOYSA-N 1 2 361.471 3.463 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2NC)n1 ZINC000765390349 723509782 /nfs/dbraw/zinc/50/97/82/723509782.db2.gz QVNTYPXXJWXCMA-UHFFFAOYSA-N 1 2 363.443 3.187 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662293 723539200 /nfs/dbraw/zinc/53/92/00/723539200.db2.gz QXGNOEBKONCLSU-GWCFXTLKSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662293 723539203 /nfs/dbraw/zinc/53/92/03/723539203.db2.gz QXGNOEBKONCLSU-GWCFXTLKSA-N 1 2 355.320 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000766137235 723557971 /nfs/dbraw/zinc/55/79/71/723557971.db2.gz VAYPSFCVZCLULZ-CYBMUJFWSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1[nH]c2ccc(Cn3c(C)nc([N+](=O)[O-])c3Br)cc2[nH+]1 ZINC000767393350 723617441 /nfs/dbraw/zinc/61/74/41/723617441.db2.gz GELZQGYKPAPAKA-UHFFFAOYSA-N 1 2 350.176 3.095 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000796113767 723622078 /nfs/dbraw/zinc/62/20/78/723622078.db2.gz OFJCXCMAYGUVLF-UHFFFAOYSA-N 1 2 351.309 3.456 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000796113767 723622080 /nfs/dbraw/zinc/62/20/80/723622080.db2.gz OFJCXCMAYGUVLF-UHFFFAOYSA-N 1 2 351.309 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])nc2c1 ZINC000775178361 723968965 /nfs/dbraw/zinc/96/89/65/723968965.db2.gz IUSDLWRPHUNAMZ-UHFFFAOYSA-N 1 2 361.745 3.323 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2ccccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799197565 723997446 /nfs/dbraw/zinc/99/74/46/723997446.db2.gz YPQIHBFEDWEYGD-LBPRGKRZSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2ccccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799197565 723997448 /nfs/dbraw/zinc/99/74/48/723997448.db2.gz YPQIHBFEDWEYGD-LBPRGKRZSA-N 1 2 360.801 3.071 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809692153 725259116 /nfs/dbraw/zinc/25/91/16/725259116.db2.gz XZJOZSPKKXPYAS-CYBMUJFWSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809692153 725259117 /nfs/dbraw/zinc/25/91/17/725259117.db2.gz XZJOZSPKKXPYAS-CYBMUJFWSA-N 1 2 355.822 3.349 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810039562 725284029 /nfs/dbraw/zinc/28/40/29/725284029.db2.gz DTAYTVUPXSLWAG-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810039562 725284030 /nfs/dbraw/zinc/28/40/30/725284030.db2.gz DTAYTVUPXSLWAG-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(Cl)n1 ZINC000813171896 726846159 /nfs/dbraw/zinc/84/61/59/726846159.db2.gz CMRHQVVAZPKRFG-AWEZNQCLSA-N 1 2 361.785 3.075 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(Cl)n1 ZINC000813171896 726846162 /nfs/dbraw/zinc/84/61/62/726846162.db2.gz CMRHQVVAZPKRFG-AWEZNQCLSA-N 1 2 361.785 3.075 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1scnc1Cl ZINC000813174610 726846405 /nfs/dbraw/zinc/84/64/05/726846405.db2.gz ZQZLNCSBMWSUIN-LBPRGKRZSA-N 1 2 367.814 3.136 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1scnc1Cl ZINC000813174610 726846407 /nfs/dbraw/zinc/84/64/07/726846407.db2.gz ZQZLNCSBMWSUIN-LBPRGKRZSA-N 1 2 367.814 3.136 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000823389331 729274830 /nfs/dbraw/zinc/27/48/30/729274830.db2.gz FXKXPSXQMGARDI-JTQLQIEISA-N 1 2 368.777 3.030 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000830357785 729552396 /nfs/dbraw/zinc/55/23/96/729552396.db2.gz WSALXOPYNYGFKA-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000830357785 729552398 /nfs/dbraw/zinc/55/23/98/729552398.db2.gz WSALXOPYNYGFKA-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543868 729649771 /nfs/dbraw/zinc/64/97/71/729649771.db2.gz PRQLJHKIGAVXAS-ABAIWWIYSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543868 729649774 /nfs/dbraw/zinc/64/97/74/729649774.db2.gz PRQLJHKIGAVXAS-ABAIWWIYSA-N 1 2 369.849 3.322 20 5 FGBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835074104 729856621 /nfs/dbraw/zinc/85/66/21/729856621.db2.gz HNADHBQHORGXPQ-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835074104 729856624 /nfs/dbraw/zinc/85/66/24/729856624.db2.gz HNADHBQHORGXPQ-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO O=C(OC[C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835391810 729885128 /nfs/dbraw/zinc/88/51/28/729885128.db2.gz KFTUJWIUFWTJNB-NSHDSACASA-N 1 2 351.309 3.373 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cscn1 ZINC000852416649 731581560 /nfs/dbraw/zinc/58/15/60/731581560.db2.gz DWFDCJGMILYGHX-BDAKNGLRSA-N 1 2 354.819 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000930531001 760634009 /nfs/dbraw/zinc/63/40/09/760634009.db2.gz GIBOXJSKUKJABU-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000930531001 760634014 /nfs/dbraw/zinc/63/40/14/760634014.db2.gz GIBOXJSKUKJABU-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000931617568 760912602 /nfs/dbraw/zinc/91/26/02/760912602.db2.gz HHQUTMHGIBYVOZ-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO CC(C)(C)c1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000109123121 206046236 /nfs/dbraw/zinc/04/62/36/206046236.db2.gz MCIPZIKQLWLHQY-UHFFFAOYSA-N 1 2 366.381 3.120 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248749094 257370052 /nfs/dbraw/zinc/37/00/52/257370052.db2.gz FQSDFKBIMQDENX-WDYCEAGBSA-N 1 2 370.453 3.470 20 5 FGBDLO Cc1cccn2cc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000546558095 503788023 /nfs/dbraw/zinc/78/80/23/503788023.db2.gz IBMOFGXHPRDXKW-UHFFFAOYSA-N 1 2 370.384 3.284 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2)c1 ZINC000577015029 505645820 /nfs/dbraw/zinc/64/58/20/505645820.db2.gz WGPLYPHAOODWHC-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccnc3)n2)c1 ZINC000577015029 505645825 /nfs/dbraw/zinc/64/58/25/505645825.db2.gz WGPLYPHAOODWHC-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000081099503 493833329 /nfs/dbraw/zinc/83/33/29/493833329.db2.gz XTFPIEVMQFJVIQ-UHFFFAOYSA-N 1 2 364.405 3.041 20 5 FGBDLO Cc1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000081930307 493968053 /nfs/dbraw/zinc/96/80/53/493968053.db2.gz YPDLLJHCESCJPF-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccsc1 ZINC000031985290 493969524 /nfs/dbraw/zinc/96/95/24/493969524.db2.gz WSUGRVXFXMURJR-OAHLLOKOSA-N 1 2 363.439 3.175 20 5 FGBDLO COC(=O)c1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)oc1C ZINC000083132679 493999039 /nfs/dbraw/zinc/99/90/39/493999039.db2.gz ZWYFFHBCRHCEQH-UHFFFAOYSA-N 1 2 359.338 3.056 20 5 FGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)oc1C ZINC000083132679 493999042 /nfs/dbraw/zinc/99/90/42/493999042.db2.gz ZWYFFHBCRHCEQH-UHFFFAOYSA-N 1 2 359.338 3.056 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1F ZINC000052130114 494006052 /nfs/dbraw/zinc/00/60/52/494006052.db2.gz ASTWYHMPVXSMHS-UHFFFAOYSA-N 1 2 371.412 3.309 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(F)c1 ZINC000007843395 494046506 /nfs/dbraw/zinc/04/65/06/494046506.db2.gz PONFIKIGDCLKLT-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(F)c1 ZINC000007843395 494046509 /nfs/dbraw/zinc/04/65/09/494046509.db2.gz PONFIKIGDCLKLT-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO COC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000064639177 494140582 /nfs/dbraw/zinc/14/05/82/494140582.db2.gz JFUHPFKLODHZAS-UHFFFAOYSA-N 1 2 362.813 3.466 20 5 FGBDLO COC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000064639177 494140585 /nfs/dbraw/zinc/14/05/85/494140585.db2.gz JFUHPFKLODHZAS-UHFFFAOYSA-N 1 2 362.813 3.466 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815051 494169009 /nfs/dbraw/zinc/16/90/09/494169009.db2.gz BJGAMBAWEZSYQR-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815051 494169015 /nfs/dbraw/zinc/16/90/15/494169015.db2.gz BJGAMBAWEZSYQR-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO CCCCc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072664983 494228713 /nfs/dbraw/zinc/22/87/13/494228713.db2.gz FDPMTKMHVGLUFI-CYBMUJFWSA-N 1 2 361.471 3.475 20 5 FGBDLO CCCCc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072664983 494228718 /nfs/dbraw/zinc/22/87/18/494228718.db2.gz FDPMTKMHVGLUFI-CYBMUJFWSA-N 1 2 361.471 3.475 20 5 FGBDLO CC1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000072828226 494259701 /nfs/dbraw/zinc/25/97/01/494259701.db2.gz RBGMPTZHHVGSOO-UHFFFAOYSA-N 1 2 356.220 3.028 20 5 FGBDLO CC1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000072828226 494259705 /nfs/dbraw/zinc/25/97/05/494259705.db2.gz RBGMPTZHHVGSOO-UHFFFAOYSA-N 1 2 356.220 3.028 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599547 494327056 /nfs/dbraw/zinc/32/70/56/494327056.db2.gz BLGJFERBAVZPMX-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599547 494327057 /nfs/dbraw/zinc/32/70/57/494327057.db2.gz BLGJFERBAVZPMX-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345295 494349763 /nfs/dbraw/zinc/34/97/63/494349763.db2.gz HBHSYXYJJOTNEW-UHFFFAOYSA-N 1 2 371.462 3.031 20 5 FGBDLO CC(C)N(Cc1ccccn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055737248 494397939 /nfs/dbraw/zinc/39/79/39/494397939.db2.gz HHNCDPZQJSKSFQ-UHFFFAOYSA-N 1 2 365.393 3.226 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056519643 494519212 /nfs/dbraw/zinc/51/92/12/494519212.db2.gz JWMMDVPUBHWVLR-UHFFFAOYSA-N 1 2 367.365 3.111 20 5 FGBDLO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000079949151 494555393 /nfs/dbraw/zinc/55/53/93/494555393.db2.gz VKDXGKVJSGKOAG-UHFFFAOYSA-N 1 2 370.405 3.404 20 5 FGBDLO Cn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172337 494630034 /nfs/dbraw/zinc/63/00/34/494630034.db2.gz BLGMSOBXVVTXSQ-HNNXBMFYSA-N 1 2 366.425 3.098 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000131500795 494639486 /nfs/dbraw/zinc/63/94/86/494639486.db2.gz SKLNYUIWNPZHJQ-UHFFFAOYSA-N 1 2 356.363 3.374 20 5 FGBDLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000024753979 494661421 /nfs/dbraw/zinc/66/14/21/494661421.db2.gz GEHQTRYPCXBGHW-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000092601298 494684576 /nfs/dbraw/zinc/68/45/76/494684576.db2.gz NDTVIXRUKJHZFN-MRXNPFEDSA-N 1 2 355.394 3.209 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000091978310 494741255 /nfs/dbraw/zinc/74/12/55/494741255.db2.gz OFBIAVWBURGRTO-JKSUJKDBSA-N 1 2 371.462 3.218 20 5 FGBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121890074 494883023 /nfs/dbraw/zinc/88/30/23/494883023.db2.gz NQWYYHDYZLNKPQ-GOSISDBHSA-N 1 2 368.437 3.073 20 5 FGBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121890074 494883027 /nfs/dbraw/zinc/88/30/27/494883027.db2.gz NQWYYHDYZLNKPQ-GOSISDBHSA-N 1 2 368.437 3.073 20 5 FGBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000122007015 494907745 /nfs/dbraw/zinc/90/77/45/494907745.db2.gz ATRQIWLXKXNAAI-NSHDSACASA-N 1 2 362.455 3.214 20 5 FGBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000122007015 494907748 /nfs/dbraw/zinc/90/77/48/494907748.db2.gz ATRQIWLXKXNAAI-NSHDSACASA-N 1 2 362.455 3.214 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)cs2)c1 ZINC000119150025 495104467 /nfs/dbraw/zinc/10/44/67/495104467.db2.gz ISBSBDUODSKSLI-ROUUACIJSA-N 1 2 367.430 3.466 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ncn(Cc3cn4cc(Cl)ccc4[nH+]3)n2)cc1 ZINC000102847204 495166344 /nfs/dbraw/zinc/16/63/44/495166344.db2.gz NJURHKPZYZATIE-UHFFFAOYSA-N 1 2 354.757 3.203 20 5 FGBDLO COc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130243751 495361817 /nfs/dbraw/zinc/36/18/17/495361817.db2.gz AEFORTXNRQDOHM-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130243751 495361821 /nfs/dbraw/zinc/36/18/21/495361821.db2.gz AEFORTXNRQDOHM-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114725015 495416546 /nfs/dbraw/zinc/41/65/46/495416546.db2.gz LVRRRDKWVFWNDL-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114725015 495416549 /nfs/dbraw/zinc/41/65/49/495416549.db2.gz LVRRRDKWVFWNDL-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000138384377 495460329 /nfs/dbraw/zinc/46/03/29/495460329.db2.gz QLPGJFCVFPVMIQ-AUUYWEPGSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000138384377 495460331 /nfs/dbraw/zinc/46/03/31/495460331.db2.gz QLPGJFCVFPVMIQ-AUUYWEPGSA-N 1 2 370.405 3.423 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000179381513 495569013 /nfs/dbraw/zinc/56/90/13/495569013.db2.gz RCDMSRJEEFUCKU-IBGZPJMESA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000147482941 495575422 /nfs/dbraw/zinc/57/54/22/495575422.db2.gz FGQIFXGTJXJCJA-KRWDZBQOSA-N 1 2 350.378 3.156 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000182700428 495669514 /nfs/dbraw/zinc/66/95/14/495669514.db2.gz KSQWEGGGJTXPPC-CYBMUJFWSA-N 1 2 355.398 3.276 20 5 FGBDLO Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2[nH+]c1C(C)(C)C ZINC000185686459 495679343 /nfs/dbraw/zinc/67/93/43/495679343.db2.gz UXYYNGCMYJIWOF-UHFFFAOYSA-N 1 2 368.397 3.009 20 5 FGBDLO COc1cc(C[N@@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180154365 495882492 /nfs/dbraw/zinc/88/24/92/495882492.db2.gz AOQCLDDKMWHJJJ-SNVBAGLBSA-N 1 2 362.398 3.185 20 5 FGBDLO COc1cc(C[N@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180154365 495882498 /nfs/dbraw/zinc/88/24/98/495882498.db2.gz AOQCLDDKMWHJJJ-SNVBAGLBSA-N 1 2 362.398 3.185 20 5 FGBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183364150 495948832 /nfs/dbraw/zinc/94/88/32/495948832.db2.gz NUJGKVCCGXHXDR-MNOVXSKESA-N 1 2 356.386 3.099 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186402433 495983831 /nfs/dbraw/zinc/98/38/31/495983831.db2.gz LQWZPJZYGAQBGG-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186402433 495983836 /nfs/dbraw/zinc/98/38/36/495983836.db2.gz LQWZPJZYGAQBGG-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180500019 496022547 /nfs/dbraw/zinc/02/25/47/496022547.db2.gz XZZOFIZCBUKHKU-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180500019 496022549 /nfs/dbraw/zinc/02/25/49/496022549.db2.gz XZZOFIZCBUKHKU-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000180516281 496028431 /nfs/dbraw/zinc/02/84/31/496028431.db2.gz BHSKRYGLLCSPHU-UHFFFAOYSA-N 1 2 353.300 3.083 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000180516281 496028435 /nfs/dbraw/zinc/02/84/35/496028435.db2.gz BHSKRYGLLCSPHU-UHFFFAOYSA-N 1 2 353.300 3.083 20 5 FGBDLO Cc1ccc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c(C)[nH+]1 ZINC000186699122 496113136 /nfs/dbraw/zinc/11/31/36/496113136.db2.gz RQYPVKCUPMOZNU-UHFFFAOYSA-N 1 2 356.407 3.146 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161213423 496128300 /nfs/dbraw/zinc/12/83/00/496128300.db2.gz TWBVGPUHZQHWLK-ZDUSSCGKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152441246 496153214 /nfs/dbraw/zinc/15/32/14/496153214.db2.gz PXACZOBLJIHNRQ-ZDUSSCGKSA-N 1 2 360.801 3.042 20 5 FGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000183973254 496183911 /nfs/dbraw/zinc/18/39/11/496183911.db2.gz LWDHRWJFADIJEQ-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO Cc1noc(C2CC2)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152887922 496285775 /nfs/dbraw/zinc/28/57/75/496285775.db2.gz RSWXLTJSBSSCKH-UHFFFAOYSA-N 1 2 353.338 3.207 20 5 FGBDLO CC[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000172420990 496290893 /nfs/dbraw/zinc/29/08/93/496290893.db2.gz PITNISPQSZZNIZ-QGZVFWFLSA-N 1 2 371.422 3.292 20 5 FGBDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184228878 496295765 /nfs/dbraw/zinc/29/57/65/496295765.db2.gz AIERNJWENUYAQA-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184228878 496295771 /nfs/dbraw/zinc/29/57/71/496295771.db2.gz AIERNJWENUYAQA-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)s1 ZINC000172664644 496379239 /nfs/dbraw/zinc/37/92/39/496379239.db2.gz QDJGPSWVSBWCJN-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C2CC2)o1 ZINC000153223590 496388558 /nfs/dbraw/zinc/38/85/58/496388558.db2.gz YNUBOCHJHIJMFF-UHFFFAOYSA-N 1 2 369.421 3.046 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C2CC2)o1 ZINC000153223590 496388563 /nfs/dbraw/zinc/38/85/63/496388563.db2.gz YNUBOCHJHIJMFF-UHFFFAOYSA-N 1 2 369.421 3.046 20 5 FGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153237071 496393635 /nfs/dbraw/zinc/39/36/35/496393635.db2.gz FZIIGNAZAGERHY-HZPDHXFCSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153237071 496393638 /nfs/dbraw/zinc/39/36/38/496393638.db2.gz FZIIGNAZAGERHY-HZPDHXFCSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172788354 496432749 /nfs/dbraw/zinc/43/27/49/496432749.db2.gz IFOAIQZWCUWEOH-AWEZNQCLSA-N 1 2 362.389 3.368 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178808137 496579546 /nfs/dbraw/zinc/57/95/46/496579546.db2.gz ACNXFDZODXHIRB-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO CCc1cc(N2CCC[C@H]2CC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000178854407 496595105 /nfs/dbraw/zinc/59/51/05/496595105.db2.gz VDPBYBQDAAMDJE-INIZCTEOSA-N 1 2 370.409 3.146 20 5 FGBDLO CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000158012237 496608085 /nfs/dbraw/zinc/60/80/85/496608085.db2.gz WHNSQHKLFOHPLD-SFHVURJKSA-N 1 2 371.462 3.348 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185029497 496629603 /nfs/dbraw/zinc/62/96/03/496629603.db2.gz JTUVYESQTALVQK-LLVKDONJSA-N 1 2 364.427 3.048 20 5 FGBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000182333921 496730021 /nfs/dbraw/zinc/73/00/21/496730021.db2.gz CUQBQLRSXMHEAS-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000182333921 496730022 /nfs/dbraw/zinc/73/00/22/496730022.db2.gz CUQBQLRSXMHEAS-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182333897 496730041 /nfs/dbraw/zinc/73/00/41/496730041.db2.gz CUQBQLRSXMHEAS-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182333897 496730042 /nfs/dbraw/zinc/73/00/42/496730042.db2.gz CUQBQLRSXMHEAS-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000194864567 496739703 /nfs/dbraw/zinc/73/97/03/496739703.db2.gz HRTQLVIXFZQBPI-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269572416 496972154 /nfs/dbraw/zinc/97/21/54/496972154.db2.gz HIOPGTVNAGYLGQ-SNVBAGLBSA-N 1 2 368.315 3.357 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000269637163 496981367 /nfs/dbraw/zinc/98/13/67/496981367.db2.gz NAJFHDDTLKWXJV-LLVKDONJSA-N 1 2 364.352 3.105 20 5 FGBDLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189134693 497018220 /nfs/dbraw/zinc/01/82/20/497018220.db2.gz HRCDLOSIJUHYKR-MRXNPFEDSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000274321198 497069523 /nfs/dbraw/zinc/06/95/23/497069523.db2.gz SZFINYZNRJAETO-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO Cc1cc(NCC[NH+]2CCSCC2)c(Br)cc1[N+](=O)[O-] ZINC000235880803 497114680 /nfs/dbraw/zinc/11/46/80/497114680.db2.gz UPZXNNNPVWKCNF-UHFFFAOYSA-N 1 2 360.277 3.126 20 5 FGBDLO Cc1cc2[nH+]cn(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c2cc1C ZINC000189440946 497119343 /nfs/dbraw/zinc/11/93/43/497119343.db2.gz YMATVQDJUQYUGI-UHFFFAOYSA-N 1 2 350.378 3.151 20 5 FGBDLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000265834692 497191498 /nfs/dbraw/zinc/19/14/98/497191498.db2.gz UFPDUOVLKWQBAH-UHFFFAOYSA-N 1 2 356.426 3.276 20 5 FGBDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000266536505 497365812 /nfs/dbraw/zinc/36/58/12/497365812.db2.gz OJXGJNJPVGHUPF-LRDDRELGSA-N 1 2 358.394 3.222 20 5 FGBDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000266536505 497365815 /nfs/dbraw/zinc/36/58/15/497365815.db2.gz OJXGJNJPVGHUPF-LRDDRELGSA-N 1 2 358.394 3.222 20 5 FGBDLO Cc1ccc(NCCCNC(=O)Nc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000578286316 505905230 /nfs/dbraw/zinc/90/52/30/505905230.db2.gz RHOQFDMQELBKBW-UHFFFAOYSA-N 1 2 368.397 3.175 20 5 FGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698077 497512701 /nfs/dbraw/zinc/51/27/01/497512701.db2.gz GRWBAILWBMIWJH-BIENJYKASA-N 1 2 373.409 3.018 20 5 FGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698077 497512706 /nfs/dbraw/zinc/51/27/06/497512706.db2.gz GRWBAILWBMIWJH-BIENJYKASA-N 1 2 373.409 3.018 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000267612731 497587123 /nfs/dbraw/zinc/58/71/23/497587123.db2.gz HYXGIEYTIMXTFI-NSHDSACASA-N 1 2 351.428 3.447 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000572218878 505917127 /nfs/dbraw/zinc/91/71/27/505917127.db2.gz PCILTAVAKXOIJK-UHFFFAOYSA-N 1 2 365.393 3.106 20 5 FGBDLO CCc1cc(NCCOCC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190937539 497651881 /nfs/dbraw/zinc/65/18/81/497651881.db2.gz GBIVTGWWHHRZDW-UHFFFAOYSA-N 1 2 352.341 3.308 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280504517 497774950 /nfs/dbraw/zinc/77/49/50/497774950.db2.gz RAAKTMSBFRSYNG-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280504517 497774956 /nfs/dbraw/zinc/77/49/56/497774956.db2.gz RAAKTMSBFRSYNG-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1(C)C ZINC000295933287 497859715 /nfs/dbraw/zinc/85/97/15/497859715.db2.gz PPHNDBPLJFTMFZ-OAHLLOKOSA-N 1 2 353.382 3.033 20 5 FGBDLO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000292131914 497892510 /nfs/dbraw/zinc/89/25/10/497892510.db2.gz IUNBDNKGZUWQLY-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000292131914 497892515 /nfs/dbraw/zinc/89/25/15/497892515.db2.gz IUNBDNKGZUWQLY-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000301072956 497939587 /nfs/dbraw/zinc/93/95/87/497939587.db2.gz WIEZRFGRJWFDCW-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO O=c1[nH]cnc2cc(NCCCc3[nH]c4ccccc4[nH+]3)c([N+](=O)[O-])cc21 ZINC000301075031 497940907 /nfs/dbraw/zinc/94/09/07/497940907.db2.gz GZXAURGQPUDYCC-UHFFFAOYSA-N 1 2 364.365 3.165 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CCC2 ZINC000364518320 497998862 /nfs/dbraw/zinc/99/88/62/497998862.db2.gz OHYBCUTXJVUYFA-AWEZNQCLSA-N 1 2 357.414 3.416 20 5 FGBDLO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F ZINC000301308305 498049848 /nfs/dbraw/zinc/04/98/48/498049848.db2.gz WMXUEIUSQFQADX-NSHDSACASA-N 1 2 367.381 3.297 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000281211218 498058118 /nfs/dbraw/zinc/05/81/18/498058118.db2.gz SKJSTCGXPHLEBQ-KRWDZBQOSA-N 1 2 371.441 3.291 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000578586268 505974076 /nfs/dbraw/zinc/97/40/76/505974076.db2.gz PUUFBNZUUKZRAD-HXUWFJFHSA-N 1 2 371.437 3.227 20 5 FGBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)c(Br)c1 ZINC000301525218 498149045 /nfs/dbraw/zinc/14/90/45/498149045.db2.gz INNXPWOOKCYYSU-UHFFFAOYSA-N 1 2 364.203 3.491 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000285797592 498204669 /nfs/dbraw/zinc/20/46/69/498204669.db2.gz YKUUJHWMWFZIML-NSHDSACASA-N 1 2 363.368 3.179 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000285797592 498204675 /nfs/dbraw/zinc/20/46/75/498204675.db2.gz YKUUJHWMWFZIML-NSHDSACASA-N 1 2 363.368 3.179 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000360368358 498268716 /nfs/dbraw/zinc/26/87/16/498268716.db2.gz YQSRUKCUFUPCQI-ZDUSSCGKSA-N 1 2 353.382 3.035 20 5 FGBDLO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000301840889 498289148 /nfs/dbraw/zinc/28/91/48/498289148.db2.gz YLQOKYGFMPUAPA-LLVKDONJSA-N 1 2 352.398 3.435 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281877490 498301621 /nfs/dbraw/zinc/30/16/21/498301621.db2.gz CXTIVEVMGAOFCD-INIZCTEOSA-N 1 2 368.437 3.076 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)nc1 ZINC000302146877 498416653 /nfs/dbraw/zinc/41/66/53/498416653.db2.gz IJCIWOPUOYVIDU-AWEZNQCLSA-N 1 2 350.382 3.159 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000578831995 506031404 /nfs/dbraw/zinc/03/14/04/506031404.db2.gz KCMVMVUGUPWCQQ-QAOXIVLQSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000578831995 506031407 /nfs/dbraw/zinc/03/14/07/506031407.db2.gz KCMVMVUGUPWCQQ-QAOXIVLQSA-N 1 2 374.372 3.213 20 5 FGBDLO Cc1cc(N[C@@H](CCO)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302230344 498453309 /nfs/dbraw/zinc/45/33/09/498453309.db2.gz WPUHLMFZUMANBO-HNNXBMFYSA-N 1 2 354.366 3.489 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000365696474 498602423 /nfs/dbraw/zinc/60/24/23/498602423.db2.gz SJRCTTFBELEPKE-GFCCVEGCSA-N 1 2 352.753 3.017 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000294404016 498683939 /nfs/dbraw/zinc/68/39/39/498683939.db2.gz MFNBRTSBSBFGAB-OAHLLOKOSA-N 1 2 364.833 3.115 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332704041 498768933 /nfs/dbraw/zinc/76/89/33/498768933.db2.gz YNRIHAIAJJCFNS-ZDUSSCGKSA-N 1 2 356.426 3.142 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294863902 498831583 /nfs/dbraw/zinc/83/15/83/498831583.db2.gz CEHIYIZNJMWMAI-UHFFFAOYSA-N 1 2 368.315 3.241 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295076819 498900935 /nfs/dbraw/zinc/90/09/35/498900935.db2.gz QVUDDUXLGHEPLY-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000363675758 498937647 /nfs/dbraw/zinc/93/76/47/498937647.db2.gz BVZWYVPFKSVURW-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000288099587 498944900 /nfs/dbraw/zinc/94/49/00/498944900.db2.gz JQGKJTWTXMIMRD-CQSZACIVSA-N 1 2 358.377 3.194 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1(C)C ZINC000295368754 498993551 /nfs/dbraw/zinc/99/35/51/498993551.db2.gz CXSLJIHMEUVOCY-MRXNPFEDSA-N 1 2 369.425 3.126 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(c2ncc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000295625938 499065474 /nfs/dbraw/zinc/06/54/74/499065474.db2.gz AODNTRXSMGSJHQ-LLVKDONJSA-N 1 2 366.219 3.073 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364126207 499120608 /nfs/dbraw/zinc/12/06/08/499120608.db2.gz NIFUDNXTUWIZLY-UHFFFAOYSA-N 1 2 364.789 3.142 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364126207 499120609 /nfs/dbraw/zinc/12/06/09/499120609.db2.gz NIFUDNXTUWIZLY-UHFFFAOYSA-N 1 2 364.789 3.142 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000366983801 499126405 /nfs/dbraw/zinc/12/64/05/499126405.db2.gz SVVSZJGNVPQMND-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370491536 499225593 /nfs/dbraw/zinc/22/55/93/499225593.db2.gz MDKDKAULUGAMNQ-UHFFFAOYSA-N 1 2 366.780 3.059 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370491536 499225595 /nfs/dbraw/zinc/22/55/95/499225595.db2.gz MDKDKAULUGAMNQ-UHFFFAOYSA-N 1 2 366.780 3.059 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368233453 499276265 /nfs/dbraw/zinc/27/62/65/499276265.db2.gz XVHCHNQWERZUGM-GFCCVEGCSA-N 1 2 360.801 3.498 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371599629 499346358 /nfs/dbraw/zinc/34/63/58/499346358.db2.gz XYPJXSLEEUVEBQ-OAHLLOKOSA-N 1 2 350.382 3.425 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)c1 ZINC000369333115 499392276 /nfs/dbraw/zinc/39/22/76/499392276.db2.gz ZVIGFADMBPDXPL-AWEZNQCLSA-N 1 2 351.366 3.424 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000372220229 499410258 /nfs/dbraw/zinc/41/02/58/499410258.db2.gz ZILOGWJIGGKDGG-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372247413 499412801 /nfs/dbraw/zinc/41/28/01/499412801.db2.gz ABQRDLQATKKPBW-ZIAGYGMSSA-N 1 2 374.466 3.274 20 5 FGBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000373287812 499461764 /nfs/dbraw/zinc/46/17/64/499461764.db2.gz WIBVOKMVSDIMCC-UHFFFAOYSA-N 1 2 356.304 3.434 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)n2)c1 ZINC000375309001 499505788 /nfs/dbraw/zinc/50/57/88/499505788.db2.gz MGTGAZQUYLMALR-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)n2)c1 ZINC000375309001 499505789 /nfs/dbraw/zinc/50/57/89/499505789.db2.gz MGTGAZQUYLMALR-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768066 499553854 /nfs/dbraw/zinc/55/38/54/499553854.db2.gz LGXSPTNYHMXUSH-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768066 499553855 /nfs/dbraw/zinc/55/38/55/499553855.db2.gz LGXSPTNYHMXUSH-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO CN(c1ccccc1)c1ccc(CNc2ccc(CO)c[nH+]2)cc1[N+](=O)[O-] ZINC000576406763 506150929 /nfs/dbraw/zinc/15/09/29/506150929.db2.gz WZSUXIYGSNCDIJ-UHFFFAOYSA-N 1 2 364.405 3.284 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376556144 499618255 /nfs/dbraw/zinc/61/82/55/499618255.db2.gz YBVBKDFUACECLM-SUMWQHHRSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376556144 499618257 /nfs/dbraw/zinc/61/82/57/499618257.db2.gz YBVBKDFUACECLM-SUMWQHHRSA-N 1 2 370.409 3.020 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000376791426 499634164 /nfs/dbraw/zinc/63/41/64/499634164.db2.gz ARJGAMVGIJHZPL-LLVKDONJSA-N 1 2 363.805 3.452 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000376831376 499638806 /nfs/dbraw/zinc/63/88/06/499638806.db2.gz ITZLFSKEYPDEJK-NSHDSACASA-N 1 2 360.439 3.106 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000376831376 499638807 /nfs/dbraw/zinc/63/88/07/499638807.db2.gz ITZLFSKEYPDEJK-NSHDSACASA-N 1 2 360.439 3.106 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000377895719 499746200 /nfs/dbraw/zinc/74/62/00/499746200.db2.gz CKIANMUPBGYSPH-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000377895719 499746202 /nfs/dbraw/zinc/74/62/02/499746202.db2.gz CKIANMUPBGYSPH-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980128 499809095 /nfs/dbraw/zinc/80/90/95/499809095.db2.gz IRLCMHMNUUOJGA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980128 499809097 /nfs/dbraw/zinc/80/90/97/499809097.db2.gz IRLCMHMNUUOJGA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO Cc1cc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421372944 500029745 /nfs/dbraw/zinc/02/97/45/500029745.db2.gz GGCGNRYNOSPVRT-SFHVURJKSA-N 1 2 351.410 3.219 20 5 FGBDLO COc1ccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000429240003 500030570 /nfs/dbraw/zinc/03/05/70/500030570.db2.gz SIVSQZMRXCRDGY-AWEZNQCLSA-N 1 2 359.401 3.453 20 5 FGBDLO COc1ccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000429240003 500030574 /nfs/dbraw/zinc/03/05/74/500030574.db2.gz SIVSQZMRXCRDGY-AWEZNQCLSA-N 1 2 359.401 3.453 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1Oc1cc[nH+]cc1 ZINC000429571072 500105178 /nfs/dbraw/zinc/10/51/78/500105178.db2.gz CBHHZFHIYZQDKY-UHFFFAOYSA-N 1 2 366.333 3.443 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509098 500127769 /nfs/dbraw/zinc/12/77/69/500127769.db2.gz KAJMMZQROZMEOZ-GTTSAUCSSA-N 1 2 362.332 3.458 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509098 500127773 /nfs/dbraw/zinc/12/77/73/500127773.db2.gz KAJMMZQROZMEOZ-GTTSAUCSSA-N 1 2 362.332 3.458 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000429804873 500147436 /nfs/dbraw/zinc/14/74/36/500147436.db2.gz URKRMJSGSPIEQI-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO CC(C)(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000429833818 500153706 /nfs/dbraw/zinc/15/37/06/500153706.db2.gz RIJARIUENQCXTO-UHFFFAOYSA-N 1 2 372.812 3.490 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430371845 500232367 /nfs/dbraw/zinc/23/23/67/500232367.db2.gz AHZVCFSUKWGIOF-UHFFFAOYSA-N 1 2 373.800 3.115 20 5 FGBDLO COc1cc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000419342538 500355841 /nfs/dbraw/zinc/35/58/41/500355841.db2.gz AYSRFQWWFVYORH-UHFFFAOYSA-N 1 2 366.311 3.286 20 5 FGBDLO CCOC(=O)c1cc(NCc2cn3ccc(C)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000433726730 500733861 /nfs/dbraw/zinc/73/38/61/500733861.db2.gz CUQDLIOHUVDMJM-UHFFFAOYSA-N 1 2 354.366 3.340 20 5 FGBDLO Cn1cc(C[N@@H+]2CCc3ncsc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438372513 500777473 /nfs/dbraw/zinc/77/74/73/500777473.db2.gz LYCGTKQXZNEKDP-UHFFFAOYSA-N 1 2 355.423 3.010 20 5 FGBDLO Cn1cc(C[N@H+]2CCc3ncsc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438372513 500777476 /nfs/dbraw/zinc/77/74/76/500777476.db2.gz LYCGTKQXZNEKDP-UHFFFAOYSA-N 1 2 355.423 3.010 20 5 FGBDLO COc1cc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1O ZINC000444663528 500875316 /nfs/dbraw/zinc/87/53/16/500875316.db2.gz YIXJLADJSFYZDJ-UHFFFAOYSA-N 1 2 368.393 3.350 20 5 FGBDLO COc1cc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1O ZINC000444663528 500875320 /nfs/dbraw/zinc/87/53/20/500875320.db2.gz YIXJLADJSFYZDJ-UHFFFAOYSA-N 1 2 368.393 3.350 20 5 FGBDLO Cc1ccnc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444686632 500878807 /nfs/dbraw/zinc/87/88/07/500878807.db2.gz XGQOFOUHYBKCEJ-UHFFFAOYSA-N 1 2 367.409 3.218 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444703570 500883101 /nfs/dbraw/zinc/88/31/01/500883101.db2.gz ZHADZHQWHMKRBM-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444703570 500883104 /nfs/dbraw/zinc/88/31/04/500883104.db2.gz ZHADZHQWHMKRBM-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449002365 500892715 /nfs/dbraw/zinc/89/27/15/500892715.db2.gz KEEMVFOOXSSEOP-UHFFFAOYSA-N 1 2 355.442 3.229 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)o2)c([N+](=O)[O-])c1 ZINC000449406709 500995610 /nfs/dbraw/zinc/99/56/10/500995610.db2.gz ZYUBSPMLTHQCHO-UHFFFAOYSA-N 1 2 369.381 3.149 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000449429372 501000457 /nfs/dbraw/zinc/00/04/57/501000457.db2.gz TXXRODUCCZRCCI-CYBMUJFWSA-N 1 2 358.179 3.184 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000449429372 501000459 /nfs/dbraw/zinc/00/04/59/501000459.db2.gz TXXRODUCCZRCCI-CYBMUJFWSA-N 1 2 358.179 3.184 20 5 FGBDLO CN1CC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC000440654365 501035182 /nfs/dbraw/zinc/03/51/82/501035182.db2.gz SAGQBWHNFORCKU-UHFFFAOYSA-N 1 2 360.380 3.052 20 5 FGBDLO CN1CC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC000440654365 501035185 /nfs/dbraw/zinc/03/51/85/501035185.db2.gz SAGQBWHNFORCKU-UHFFFAOYSA-N 1 2 360.380 3.052 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069261 501069101 /nfs/dbraw/zinc/06/91/01/501069101.db2.gz HJCDAPMTCCWMKO-SRVKXCTJSA-N 1 2 374.384 3.245 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069261 501069103 /nfs/dbraw/zinc/06/91/03/501069103.db2.gz HJCDAPMTCCWMKO-SRVKXCTJSA-N 1 2 374.384 3.245 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000441066723 501082791 /nfs/dbraw/zinc/08/27/91/501082791.db2.gz PHGMSQLKWJLTKW-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000441066723 501082794 /nfs/dbraw/zinc/08/27/94/501082794.db2.gz PHGMSQLKWJLTKW-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000436240025 501094051 /nfs/dbraw/zinc/09/40/51/501094051.db2.gz IELFWHJBYADKEW-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450373478 501103607 /nfs/dbraw/zinc/10/36/07/501103607.db2.gz AEJKHULDRDSCOK-UGSOOPFHSA-N 1 2 367.409 3.436 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)CC2)n1 ZINC000450484208 501133939 /nfs/dbraw/zinc/13/39/39/501133939.db2.gz LHXZIFMRJMVIQD-UHFFFAOYSA-N 1 2 363.381 3.057 20 5 FGBDLO CCOC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000450501217 501137899 /nfs/dbraw/zinc/13/78/99/501137899.db2.gz PENWHEOYYGVVGC-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000450501217 501137902 /nfs/dbraw/zinc/13/79/02/501137902.db2.gz PENWHEOYYGVVGC-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739402 501159646 /nfs/dbraw/zinc/15/96/46/501159646.db2.gz UEIVBUBWZFHBIJ-LSDHHAIUSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739402 501159647 /nfs/dbraw/zinc/15/96/47/501159647.db2.gz UEIVBUBWZFHBIJ-LSDHHAIUSA-N 1 2 365.433 3.319 20 5 FGBDLO CC(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450650939 501176806 /nfs/dbraw/zinc/17/68/06/501176806.db2.gz DEMFCNWBLXHUBG-IRXDYDNUSA-N 1 2 372.425 3.102 20 5 FGBDLO Cc1cn2cc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc2[nH+]1 ZINC000446921751 501181178 /nfs/dbraw/zinc/18/11/78/501181178.db2.gz UJGLUAQEFMKWLG-UHFFFAOYSA-N 1 2 351.366 3.141 20 5 FGBDLO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436669145 501184477 /nfs/dbraw/zinc/18/44/77/501184477.db2.gz HDIYKMSVGLCJJL-UHFFFAOYSA-N 1 2 371.437 3.285 20 5 FGBDLO CC(C)(C)OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450112784 501184701 /nfs/dbraw/zinc/18/47/01/501184701.db2.gz JNUHAPXUGOQLBH-UHFFFAOYSA-N 1 2 372.425 3.200 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450700862 501189301 /nfs/dbraw/zinc/18/93/01/501189301.db2.gz FMRXXAWTUGGHOE-KSZLIROESA-N 1 2 368.437 3.490 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)cs1 ZINC000451015593 501239267 /nfs/dbraw/zinc/23/92/67/501239267.db2.gz FZOKRGYNKIHFLL-HNNXBMFYSA-N 1 2 374.466 3.305 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)cs1 ZINC000451015593 501239268 /nfs/dbraw/zinc/23/92/68/501239268.db2.gz FZOKRGYNKIHFLL-HNNXBMFYSA-N 1 2 374.466 3.305 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409106 501285541 /nfs/dbraw/zinc/28/55/41/501285541.db2.gz PSTHTDDLPXAPAQ-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409106 501285543 /nfs/dbraw/zinc/28/55/43/501285543.db2.gz PSTHTDDLPXAPAQ-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000455466713 501310912 /nfs/dbraw/zinc/31/09/12/501310912.db2.gz FSTLDLXOHAQZEA-FRFSOERESA-N 1 2 369.425 3.386 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000453574989 501351878 /nfs/dbraw/zinc/35/18/78/501351878.db2.gz JVERGIPWHORPNP-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456345780 501505108 /nfs/dbraw/zinc/50/51/08/501505108.db2.gz GRDCBXUJHOWMEH-VIFPVBQESA-N 1 2 356.304 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456369750 501510940 /nfs/dbraw/zinc/51/09/40/501510940.db2.gz YBWGYNNVWDGEGO-SSDOTTSWSA-N 1 2 373.232 3.126 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456398609 501517451 /nfs/dbraw/zinc/51/74/51/501517451.db2.gz CKGHITZKKUTPNH-LDYMZIIASA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456403403 501518877 /nfs/dbraw/zinc/51/88/77/501518877.db2.gz FRQGPGCTMFHKGA-KWQFWETISA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000456702180 501581054 /nfs/dbraw/zinc/58/10/54/501581054.db2.gz GTSASASVEFXFTP-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000456712196 501584351 /nfs/dbraw/zinc/58/43/51/501584351.db2.gz MHFUVPRYWHDNPF-SECBINFHSA-N 1 2 360.395 3.120 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(C3(O)CC3)CC2)cc1Br ZINC000602700883 506267077 /nfs/dbraw/zinc/26/70/77/506267077.db2.gz XDJYDQDPQBLOHI-UHFFFAOYSA-N 1 2 361.261 3.156 20 5 FGBDLO Cc1[nH]c2ccc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)cc2[nH+]1 ZINC000467208366 501737408 /nfs/dbraw/zinc/73/74/08/501737408.db2.gz VFHIQNHTJPZPDE-UHFFFAOYSA-N 1 2 361.361 3.052 20 5 FGBDLO Cc1[nH]c2cc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)ccc2[nH+]1 ZINC000467208366 501737410 /nfs/dbraw/zinc/73/74/10/501737410.db2.gz VFHIQNHTJPZPDE-UHFFFAOYSA-N 1 2 361.361 3.052 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000470736239 501786539 /nfs/dbraw/zinc/78/65/39/501786539.db2.gz GVWYWLNBGBXUJF-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904919 501847968 /nfs/dbraw/zinc/84/79/68/501847968.db2.gz BHFGEFWJNCSVAE-QFYYESIMSA-N 1 2 372.368 3.204 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904919 501847975 /nfs/dbraw/zinc/84/79/75/501847975.db2.gz BHFGEFWJNCSVAE-QFYYESIMSA-N 1 2 372.368 3.204 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949628 501866135 /nfs/dbraw/zinc/86/61/35/501866135.db2.gz XDQQQGCLRHDXHM-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949628 501866141 /nfs/dbraw/zinc/86/61/41/501866141.db2.gz XDQQQGCLRHDXHM-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000481883135 501907666 /nfs/dbraw/zinc/90/76/66/501907666.db2.gz NZXWQJCKJXBYIX-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844823 502117252 /nfs/dbraw/zinc/11/72/52/502117252.db2.gz CGILWUOAXAUKSY-KXBFYZLASA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844823 502117256 /nfs/dbraw/zinc/11/72/56/502117256.db2.gz CGILWUOAXAUKSY-KXBFYZLASA-N 1 2 372.421 3.444 20 5 FGBDLO CCCN1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000471803209 502141056 /nfs/dbraw/zinc/14/10/56/502141056.db2.gz GGFAXAKVIHMKMZ-UHFFFAOYSA-N 1 2 357.410 3.299 20 5 FGBDLO CCCN1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000471803209 502141060 /nfs/dbraw/zinc/14/10/60/502141060.db2.gz GGFAXAKVIHMKMZ-UHFFFAOYSA-N 1 2 357.410 3.299 20 5 FGBDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778964 506296069 /nfs/dbraw/zinc/29/60/69/506296069.db2.gz JZNBOKPZKMEMIN-MRXNPFEDSA-N 1 2 354.414 3.035 20 5 FGBDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778964 506296073 /nfs/dbraw/zinc/29/60/73/506296073.db2.gz JZNBOKPZKMEMIN-MRXNPFEDSA-N 1 2 354.414 3.035 20 5 FGBDLO CCO[C@@H](C)c1noc(CN(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])n1 ZINC000599048539 506292912 /nfs/dbraw/zinc/29/29/12/506292912.db2.gz HQCQHWOXGNPDDY-NSHDSACASA-N 1 2 357.370 3.260 20 5 FGBDLO Cc1nc(N2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000596192002 506301609 /nfs/dbraw/zinc/30/16/09/506301609.db2.gz KFUPHQHVWAIPEL-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]Cc2cnnn2CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599061975 506302950 /nfs/dbraw/zinc/30/29/50/506302950.db2.gz NAQCPCHBNCNRPB-SFHVURJKSA-N 1 2 355.398 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483102803 502271751 /nfs/dbraw/zinc/27/17/51/502271751.db2.gz FMDSIPFHCWSTRY-CYBMUJFWSA-N 1 2 374.290 3.456 20 5 FGBDLO C[C@H](CCc1cccn1C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472361116 502328612 /nfs/dbraw/zinc/32/86/12/502328612.db2.gz MIMFHKRXYRYUGQ-MRXNPFEDSA-N 1 2 372.469 3.199 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000483421072 502385408 /nfs/dbraw/zinc/38/54/08/502385408.db2.gz LOYBCOPABJYLGY-UHFFFAOYSA-N 1 2 364.283 3.309 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000599079220 506313558 /nfs/dbraw/zinc/31/35/58/506313558.db2.gz CXNPLBBSWVEKSE-HNNXBMFYSA-N 1 2 355.316 3.427 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc2c[nH+]ccc21 ZINC000599075000 506312272 /nfs/dbraw/zinc/31/22/72/506312272.db2.gz ZCFCWNRJEQVBSB-KSSFIOAISA-N 1 2 357.410 3.123 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](COc2ccccc2)C1 ZINC000599078673 506312996 /nfs/dbraw/zinc/31/29/96/506312996.db2.gz JNFSSUMCAMUVDU-QGZVFWFLSA-N 1 2 365.389 3.427 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](COc2ccccc2)C1 ZINC000599078669 506313161 /nfs/dbraw/zinc/31/31/61/506313161.db2.gz JNFSSUMCAMUVDU-KRWDZBQOSA-N 1 2 365.389 3.427 20 5 FGBDLO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000487433247 502443107 /nfs/dbraw/zinc/44/31/07/502443107.db2.gz QYKNJIVOKHAYCJ-CXAGYDPISA-N 1 2 357.410 3.030 20 5 FGBDLO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469564130 502465149 /nfs/dbraw/zinc/46/51/49/502465149.db2.gz UFGJOUWRNHNDMK-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469564130 502465152 /nfs/dbraw/zinc/46/51/52/502465152.db2.gz UFGJOUWRNHNDMK-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000462628569 502512826 /nfs/dbraw/zinc/51/28/26/502512826.db2.gz RYQSURHKVUOOST-APWZRJJASA-N 1 2 369.421 3.238 20 5 FGBDLO C[C@H]1CN(CC(F)(F)F)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599088377 506318175 /nfs/dbraw/zinc/31/81/75/506318175.db2.gz QNLFSPZKNFMWQS-LBPRGKRZSA-N 1 2 368.359 3.463 20 5 FGBDLO CCc1cc(NC[C@@](C)(O)[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488187306 502651484 /nfs/dbraw/zinc/65/14/84/502651484.db2.gz ZDCPJQGSXMDSAB-ORAYPTAESA-N 1 2 358.442 3.245 20 5 FGBDLO CCN(CC)C(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470172610 502693779 /nfs/dbraw/zinc/69/37/79/502693779.db2.gz ZFWPUDFPEKCQOK-DTQAZKPQSA-N 1 2 360.458 3.078 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512571 506480854 /nfs/dbraw/zinc/48/08/54/506480854.db2.gz KRFAPXSIRVNWAK-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512571 506480859 /nfs/dbraw/zinc/48/08/59/506480859.db2.gz KRFAPXSIRVNWAK-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO CCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCOCC1 ZINC000488706522 502786866 /nfs/dbraw/zinc/78/68/66/502786866.db2.gz ZLOJLQSZEGLIQU-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484985861 502793747 /nfs/dbraw/zinc/79/37/47/502793747.db2.gz SRNSXWNIPAWDNC-HNNXBMFYSA-N 1 2 364.490 3.210 20 5 FGBDLO CC[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489006473 502858980 /nfs/dbraw/zinc/85/89/80/502858980.db2.gz ZXPLNUCZOOCBOF-OLMNPRSZSA-N 1 2 368.437 3.330 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500860451 502879997 /nfs/dbraw/zinc/87/99/97/502879997.db2.gz OCRDWIREWOKFEI-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500860451 502879999 /nfs/dbraw/zinc/87/99/99/502879999.db2.gz OCRDWIREWOKFEI-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)C1 ZINC000500897439 502887673 /nfs/dbraw/zinc/88/76/73/502887673.db2.gz SMPJFGIZPXMAEQ-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)C1 ZINC000500897439 502887676 /nfs/dbraw/zinc/88/76/76/502887676.db2.gz SMPJFGIZPXMAEQ-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000513265177 502891744 /nfs/dbraw/zinc/89/17/44/502891744.db2.gz CNPOIZPTKIWEHV-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000513265177 502891746 /nfs/dbraw/zinc/89/17/46/502891746.db2.gz CNPOIZPTKIWEHV-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCN(c4ccccc4F)CC3)nc2c1 ZINC000513366883 502916313 /nfs/dbraw/zinc/91/63/13/502916313.db2.gz MYSLIWYPPCNQEJ-UHFFFAOYSA-N 1 2 369.400 3.323 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCN(c4ccccc4F)CC3)nc2c1 ZINC000513366883 502916317 /nfs/dbraw/zinc/91/63/17/502916317.db2.gz MYSLIWYPPCNQEJ-UHFFFAOYSA-N 1 2 369.400 3.323 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513673902 502997009 /nfs/dbraw/zinc/99/70/09/502997009.db2.gz ZLQGYLKJYPCGPI-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO Cc1cccc(OCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000513698349 503003546 /nfs/dbraw/zinc/00/35/46/503003546.db2.gz ZOBCMQYGFTVZEK-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513724429 503009819 /nfs/dbraw/zinc/00/98/19/503009819.db2.gz GXLVSGMEEVCEIF-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513724429 503009824 /nfs/dbraw/zinc/00/98/24/503009824.db2.gz GXLVSGMEEVCEIF-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000514082452 503082723 /nfs/dbraw/zinc/08/27/23/503082723.db2.gz GXSWZOSSHHWRQD-GOSISDBHSA-N 1 2 352.394 3.216 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000510380783 503103584 /nfs/dbraw/zinc/10/35/84/503103584.db2.gz OOHSHVZUZXVQKJ-HNNXBMFYSA-N 1 2 357.414 3.014 20 5 FGBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 ZINC000596311979 506352877 /nfs/dbraw/zinc/35/28/77/506352877.db2.gz HUUXGFNRVUBOIO-OAHLLOKOSA-N 1 2 356.426 3.038 20 5 FGBDLO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000510525076 503133231 /nfs/dbraw/zinc/13/32/31/503133231.db2.gz MLKDMGQFMTVUGF-ACJLOTCBSA-N 1 2 357.410 3.030 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000510537570 503137033 /nfs/dbraw/zinc/13/70/33/503137033.db2.gz ISYLGXPLLVLYEK-UHFFFAOYSA-N 1 2 363.421 3.307 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511110313 503257690 /nfs/dbraw/zinc/25/76/90/503257690.db2.gz QQFGJAXCLSCKPI-CQSZACIVSA-N 1 2 371.437 3.488 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511110313 503257691 /nfs/dbraw/zinc/25/76/91/503257691.db2.gz QQFGJAXCLSCKPI-CQSZACIVSA-N 1 2 371.437 3.488 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507257606 503262233 /nfs/dbraw/zinc/26/22/33/503262233.db2.gz AQSRIAMSLDHTKB-LJQANCHMSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507257606 503262236 /nfs/dbraw/zinc/26/22/36/503262236.db2.gz AQSRIAMSLDHTKB-LJQANCHMSA-N 1 2 369.421 3.088 20 5 FGBDLO CCn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000602962865 506368788 /nfs/dbraw/zinc/36/87/88/506368788.db2.gz PUDZHNIEGXZTSQ-IBGZPJMESA-N 1 2 372.400 3.101 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000511889997 503409261 /nfs/dbraw/zinc/40/92/61/503409261.db2.gz KQSZPRRIFVPVLJ-CQSZACIVSA-N 1 2 368.437 3.463 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493265955 503416114 /nfs/dbraw/zinc/41/61/14/503416114.db2.gz YQBSLDBBSVWPMM-KGLIPLIRSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493265955 503416116 /nfs/dbraw/zinc/41/61/16/503416116.db2.gz YQBSLDBBSVWPMM-KGLIPLIRSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000493265957 503416617 /nfs/dbraw/zinc/41/66/17/503416617.db2.gz YQBSLDBBSVWPMM-ZIAGYGMSSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000493265957 503416621 /nfs/dbraw/zinc/41/66/21/503416621.db2.gz YQBSLDBBSVWPMM-ZIAGYGMSSA-N 1 2 353.850 3.470 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000503649431 503451163 /nfs/dbraw/zinc/45/11/63/503451163.db2.gz MGXMQUZDXQTRNB-CYBMUJFWSA-N 1 2 374.466 3.460 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494245675 503510874 /nfs/dbraw/zinc/51/08/74/503510874.db2.gz UFVOYZUOQZENAC-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494245675 503510877 /nfs/dbraw/zinc/51/08/77/503510877.db2.gz UFVOYZUOQZENAC-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO COC(=O)COc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1[N+](=O)[O-] ZINC000512909017 503652694 /nfs/dbraw/zinc/65/26/94/503652694.db2.gz PWTAAYBGSJUUIV-UHFFFAOYSA-N 1 2 372.368 3.204 20 5 FGBDLO CNc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000546381630 503729908 /nfs/dbraw/zinc/72/99/08/503729908.db2.gz DQPFDLQIPBAVTD-UHFFFAOYSA-N 1 2 364.365 3.233 20 5 FGBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000537026057 503780906 /nfs/dbraw/zinc/78/09/06/503780906.db2.gz SMIZRXDZBGEDKQ-JTQLQIEISA-N 1 2 365.336 3.171 20 5 FGBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000543506370 503797842 /nfs/dbraw/zinc/79/78/42/503797842.db2.gz QIPRCQLWARBXEZ-LBPRGKRZSA-N 1 2 356.386 3.273 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000540587890 503824601 /nfs/dbraw/zinc/82/46/01/503824601.db2.gz WGXHAAIISVZDMJ-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000540587890 503824604 /nfs/dbraw/zinc/82/46/04/503824604.db2.gz WGXHAAIISVZDMJ-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000533408719 503834842 /nfs/dbraw/zinc/83/48/42/503834842.db2.gz FANJAAKIBZIXOL-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000533408719 503834848 /nfs/dbraw/zinc/83/48/48/503834848.db2.gz FANJAAKIBZIXOL-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000543711500 503861745 /nfs/dbraw/zinc/86/17/45/503861745.db2.gz WZCQAVWHAGFEKN-UHFFFAOYSA-N 1 2 370.405 3.338 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000543711500 503861750 /nfs/dbraw/zinc/86/17/50/503861750.db2.gz WZCQAVWHAGFEKN-UHFFFAOYSA-N 1 2 370.405 3.338 20 5 FGBDLO O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000547108161 503986403 /nfs/dbraw/zinc/98/64/03/503986403.db2.gz VHBCKOFJYSPJBX-UHFFFAOYSA-N 1 2 363.333 3.410 20 5 FGBDLO O=[N+]([O-])c1cccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000533910866 503986620 /nfs/dbraw/zinc/98/66/20/503986620.db2.gz OMYCVJKLFKSTLC-UHFFFAOYSA-N 1 2 360.377 3.378 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000518749761 504053600 /nfs/dbraw/zinc/05/36/00/504053600.db2.gz QRHGWNZVIXJVTJ-UHFFFAOYSA-N 1 2 352.394 3.399 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000518749761 504053607 /nfs/dbraw/zinc/05/36/07/504053607.db2.gz QRHGWNZVIXJVTJ-UHFFFAOYSA-N 1 2 352.394 3.399 20 5 FGBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000547443166 504107544 /nfs/dbraw/zinc/10/75/44/504107544.db2.gz QGYGMQCZHIHZRL-GOSISDBHSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000547443166 504107547 /nfs/dbraw/zinc/10/75/47/504107547.db2.gz QGYGMQCZHIHZRL-GOSISDBHSA-N 1 2 360.410 3.481 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000541567742 504178908 /nfs/dbraw/zinc/17/89/08/504178908.db2.gz NBCYGJOOVVSFNP-CYBMUJFWSA-N 1 2 367.409 3.343 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547760909 504214939 /nfs/dbraw/zinc/21/49/39/504214939.db2.gz BKQHBSAKRJYZOO-UHFFFAOYSA-N 1 2 364.402 3.145 20 5 FGBDLO CCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538523911 504273645 /nfs/dbraw/zinc/27/36/45/504273645.db2.gz SIIPMKNHILTUAM-QGZVFWFLSA-N 1 2 352.398 3.202 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534985501 504303021 /nfs/dbraw/zinc/30/30/21/504303021.db2.gz NNEUTIJYBJAFRH-UHFFFAOYSA-N 1 2 353.382 3.093 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000548453955 504452236 /nfs/dbraw/zinc/45/22/36/504452236.db2.gz XBNUJZXYEKZIMM-UHFFFAOYSA-N 1 2 355.394 3.043 20 5 FGBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536013709 504608073 /nfs/dbraw/zinc/60/80/73/504608073.db2.gz JCHXDZKQKYIDCG-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932242 504643159 /nfs/dbraw/zinc/64/31/59/504643159.db2.gz SLFSORQXBMLNLV-HNNXBMFYSA-N 1 2 362.348 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000559186092 504798102 /nfs/dbraw/zinc/79/81/02/504798102.db2.gz LJYYGYFBXYPIBF-NVXWUHKLSA-N 1 2 350.321 3.198 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000549541804 504846143 /nfs/dbraw/zinc/84/61/43/504846143.db2.gz FSULEHDBHCNHLJ-GFCCVEGCSA-N 1 2 370.331 3.353 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000549541804 504846147 /nfs/dbraw/zinc/84/61/47/504846147.db2.gz FSULEHDBHCNHLJ-GFCCVEGCSA-N 1 2 370.331 3.353 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556632 504849109 /nfs/dbraw/zinc/84/91/09/504849109.db2.gz ZTKOCLHWHMFSLF-KXBFYZLASA-N 1 2 355.438 3.301 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556632 504849112 /nfs/dbraw/zinc/84/91/12/504849112.db2.gz ZTKOCLHWHMFSLF-KXBFYZLASA-N 1 2 355.438 3.301 20 5 FGBDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549582616 504854550 /nfs/dbraw/zinc/85/45/50/504854550.db2.gz LMTKNMZODMKJHW-STQMWFEESA-N 1 2 373.375 3.221 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000553604256 504960406 /nfs/dbraw/zinc/96/04/06/504960406.db2.gz KOIZMHFSLIGLGK-NSHDSACASA-N 1 2 352.192 3.049 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000554847880 505280384 /nfs/dbraw/zinc/28/03/84/505280384.db2.gz HQBYEYHOMNEZMT-UHFFFAOYSA-N 1 2 370.384 3.382 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000554847880 505280387 /nfs/dbraw/zinc/28/03/87/505280387.db2.gz HQBYEYHOMNEZMT-UHFFFAOYSA-N 1 2 370.384 3.382 20 5 FGBDLO Cc1cccc(CCCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[nH+]1 ZINC000561359752 505324691 /nfs/dbraw/zinc/32/46/91/505324691.db2.gz IJJJPLHPWBFIQT-UHFFFAOYSA-N 1 2 354.410 3.235 20 5 FGBDLO Cn1c2ccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2[nH+]c1C1CC1 ZINC000564100455 505326122 /nfs/dbraw/zinc/32/61/22/505326122.db2.gz SYUBPFFNYCNVDQ-UHFFFAOYSA-N 1 2 362.393 3.269 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000555742568 505505415 /nfs/dbraw/zinc/50/54/15/505505415.db2.gz UGSXAEGHGFVICS-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589643 506476154 /nfs/dbraw/zinc/47/61/54/506476154.db2.gz ALNOYAPAUDLLAA-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589643 506476158 /nfs/dbraw/zinc/47/61/58/506476158.db2.gz ALNOYAPAUDLLAA-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596598119 506482538 /nfs/dbraw/zinc/48/25/38/506482538.db2.gz BPGXECJSQOIEGZ-ZDUSSCGKSA-N 1 2 371.441 3.038 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596598119 506482544 /nfs/dbraw/zinc/48/25/44/506482544.db2.gz BPGXECJSQOIEGZ-ZDUSSCGKSA-N 1 2 371.441 3.038 20 5 FGBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000589206336 506485505 /nfs/dbraw/zinc/48/55/05/506485505.db2.gz UGHJRINCODYONM-OAHLLOKOSA-N 1 2 368.437 3.073 20 5 FGBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000589206336 506485506 /nfs/dbraw/zinc/48/55/06/506485506.db2.gz UGHJRINCODYONM-OAHLLOKOSA-N 1 2 368.437 3.073 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591491 506517743 /nfs/dbraw/zinc/51/77/43/506517743.db2.gz UWODWMJOJGBMLA-TZMCWYRMSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591491 506517752 /nfs/dbraw/zinc/51/77/52/506517752.db2.gz UWODWMJOJGBMLA-TZMCWYRMSA-N 1 2 374.441 3.271 20 5 FGBDLO COc1ccc2[nH+]c(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc2c1 ZINC000603862286 506640993 /nfs/dbraw/zinc/64/09/93/506640993.db2.gz MVSYBXALCCWFRB-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603903886 506653367 /nfs/dbraw/zinc/65/33/67/506653367.db2.gz DOVWSNCPOUQYLP-OAHLLOKOSA-N 1 2 373.413 3.096 20 5 FGBDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603903886 506653373 /nfs/dbraw/zinc/65/33/73/506653373.db2.gz DOVWSNCPOUQYLP-OAHLLOKOSA-N 1 2 373.413 3.096 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000593596345 506696441 /nfs/dbraw/zinc/69/64/41/506696441.db2.gz QCYYXLTUUDNESM-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)Cc2ccccc2O1 ZINC000590053759 506718104 /nfs/dbraw/zinc/71/81/04/506718104.db2.gz SMSMJEVAPBMUSL-CYBMUJFWSA-N 1 2 356.378 3.149 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)Cc2ccccc2O1 ZINC000590053759 506718107 /nfs/dbraw/zinc/71/81/07/506718107.db2.gz SMSMJEVAPBMUSL-CYBMUJFWSA-N 1 2 356.378 3.149 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000604196937 506746285 /nfs/dbraw/zinc/74/62/85/506746285.db2.gz BSCJNRGLKMKXBM-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600124472 506788772 /nfs/dbraw/zinc/78/87/72/506788772.db2.gz MHWDMHGKCPUKOR-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOc2ccccc2[C@H]1C ZINC000609145433 506790382 /nfs/dbraw/zinc/79/03/82/506790382.db2.gz CMIOEEOCIVVUOC-CQSZACIVSA-N 1 2 355.394 3.297 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000609145433 506790385 /nfs/dbraw/zinc/79/03/85/506790385.db2.gz CMIOEEOCIVVUOC-CQSZACIVSA-N 1 2 355.394 3.297 20 5 FGBDLO CCC(C)(C)OC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000600190135 506832608 /nfs/dbraw/zinc/83/26/08/506832608.db2.gz XFYAHDRWEHGXGI-UHFFFAOYSA-N 1 2 358.442 3.385 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000597222388 506844185 /nfs/dbraw/zinc/84/41/85/506844185.db2.gz NCNVTFPQKRWHQY-UHFFFAOYSA-N 1 2 362.357 3.209 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590781093 506951955 /nfs/dbraw/zinc/95/19/55/506951955.db2.gz FEEUKGFGWRWVMS-UHFFFAOYSA-N 1 2 373.800 3.107 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594520842 507169536 /nfs/dbraw/zinc/16/95/36/507169536.db2.gz PZFKAHHMIYSRBF-ZWKOTPCHSA-N 1 2 370.453 3.499 20 5 FGBDLO COc1c(C)cccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000594596150 507200426 /nfs/dbraw/zinc/20/04/26/507200426.db2.gz NOTZVUDOJGIASM-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO CN(CCO)c1ccc(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH+]c1 ZINC000591348161 507214293 /nfs/dbraw/zinc/21/42/93/507214293.db2.gz AGQUORCNUXAJST-SFHVURJKSA-N 1 2 356.426 3.298 20 5 FGBDLO Cn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000601148390 507277268 /nfs/dbraw/zinc/27/72/68/507277268.db2.gz BDJYDCJHQOIAFA-GOSISDBHSA-N 1 2 374.828 3.132 20 5 FGBDLO Cc1cc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000601178270 507289444 /nfs/dbraw/zinc/28/94/44/507289444.db2.gz NKHNEFBHJNXGQY-UHFFFAOYSA-N 1 2 373.478 3.080 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](C)n4ncnc43)o2)c([N+](=O)[O-])c1 ZINC000594957977 507331378 /nfs/dbraw/zinc/33/13/78/507331378.db2.gz WNAOWCWDKSGJJZ-NHYWBVRUSA-N 1 2 369.381 3.251 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000595032996 507361910 /nfs/dbraw/zinc/36/19/10/507361910.db2.gz OOXPQVRGRSSELV-ZDUSSCGKSA-N 1 2 355.394 3.425 20 5 FGBDLO CCOC(=O)Cc1ccc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000591946626 507423175 /nfs/dbraw/zinc/42/31/75/507423175.db2.gz RCOUJCSKSUREEA-UHFFFAOYSA-N 1 2 357.410 3.449 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459211 507434395 /nfs/dbraw/zinc/43/43/95/507434395.db2.gz FPGPWGIQPUYBDE-ZIAGYGMSSA-N 1 2 371.441 3.056 20 5 FGBDLO Cc1noc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595325426 507459751 /nfs/dbraw/zinc/45/97/51/507459751.db2.gz HVJRYZBJLMNIDR-CYBMUJFWSA-N 1 2 364.833 3.423 20 5 FGBDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595478540 507521388 /nfs/dbraw/zinc/52/13/88/507521388.db2.gz AARGVOAXCXSUSG-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000598649577 507532593 /nfs/dbraw/zinc/53/25/93/507532593.db2.gz PIHKZLCNOLGUQS-UHFFFAOYSA-N 1 2 373.409 3.114 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000598649577 507532599 /nfs/dbraw/zinc/53/25/99/507532599.db2.gz PIHKZLCNOLGUQS-UHFFFAOYSA-N 1 2 373.409 3.114 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)co2)cc1 ZINC000601972787 507533562 /nfs/dbraw/zinc/53/35/62/507533562.db2.gz FRFMFEXDMXIALS-CQSZACIVSA-N 1 2 353.325 3.106 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H](C(F)F)CC3)co2)cc1 ZINC000601972787 507533565 /nfs/dbraw/zinc/53/35/65/507533565.db2.gz FRFMFEXDMXIALS-CQSZACIVSA-N 1 2 353.325 3.106 20 5 FGBDLO CC(C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602161519 507610745 /nfs/dbraw/zinc/61/07/45/507610745.db2.gz SGZRHVHMLMJGSM-ZDUSSCGKSA-N 1 2 370.331 3.336 20 5 FGBDLO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000595682540 507625450 /nfs/dbraw/zinc/62/54/50/507625450.db2.gz AXHUCROADDWAPE-QGZVFWFLSA-N 1 2 352.337 3.359 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781929 507681809 /nfs/dbraw/zinc/68/18/09/507681809.db2.gz WLSMQLIPQSGWQS-GRYCIOLGSA-N 1 2 355.822 3.075 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781929 507681813 /nfs/dbraw/zinc/68/18/13/507681813.db2.gz WLSMQLIPQSGWQS-GRYCIOLGSA-N 1 2 355.822 3.075 20 5 FGBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nnc2n1CCCCC2 ZINC000595809268 507697723 /nfs/dbraw/zinc/69/77/23/507697723.db2.gz SRVBDNXEDDXBGM-HNNXBMFYSA-N 1 2 359.430 3.162 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611534855 507726158 /nfs/dbraw/zinc/72/61/58/507726158.db2.gz OSQAZVMAICAPEH-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889962 507729674 /nfs/dbraw/zinc/72/96/74/507729674.db2.gz JZFNEODUFBWBGE-IUODEOHRSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889962 507729681 /nfs/dbraw/zinc/72/96/81/507729681.db2.gz JZFNEODUFBWBGE-IUODEOHRSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000611560907 507739840 /nfs/dbraw/zinc/73/98/40/507739840.db2.gz BXXWHURQXGCFGL-DNVCBOLYSA-N 1 2 366.421 3.475 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000080599709 700319613 /nfs/dbraw/zinc/31/96/13/700319613.db2.gz LEIYWVQHNMEOJR-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000178563313 705669015 /nfs/dbraw/zinc/66/90/15/705669015.db2.gz TXXULZKPOMDTOI-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522877392 714209799 /nfs/dbraw/zinc/20/97/99/714209799.db2.gz DDRRPIIYSSRHJA-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO CCc1ccc([C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000616362977 714582488 /nfs/dbraw/zinc/58/24/88/714582488.db2.gz MJBKZJUSBYLXHM-HUUCEWRRSA-N 1 2 358.316 3.352 20 5 FGBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000803637535 724457211 /nfs/dbraw/zinc/45/72/11/724457211.db2.gz OMPKDTLODXXRPU-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000733872385 722501690 /nfs/dbraw/zinc/50/16/90/722501690.db2.gz PMNSHQFUBGNQSC-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000739384113 722532810 /nfs/dbraw/zinc/53/28/10/722532810.db2.gz ATQDCSDQSXYDMO-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000741248310 722543787 /nfs/dbraw/zinc/54/37/87/722543787.db2.gz XHTVVNCNYGTMAA-ZDUSSCGKSA-N 1 2 364.833 3.366 20 5 FGBDLO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000741248310 722543788 /nfs/dbraw/zinc/54/37/88/722543788.db2.gz XHTVVNCNYGTMAA-ZDUSSCGKSA-N 1 2 364.833 3.366 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673410 722614039 /nfs/dbraw/zinc/61/40/39/722614039.db2.gz QVOIYIPVZZKRJN-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673410 722614041 /nfs/dbraw/zinc/61/40/41/722614041.db2.gz QVOIYIPVZZKRJN-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664915 723539394 /nfs/dbraw/zinc/53/93/94/723539394.db2.gz LQRNEMXRVXCBRN-JQWIXIFHSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664915 723539395 /nfs/dbraw/zinc/53/93/95/723539395.db2.gz LQRNEMXRVXCBRN-JQWIXIFHSA-N 1 2 355.320 3.084 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(F)c1 ZINC000795984650 723616295 /nfs/dbraw/zinc/61/62/95/723616295.db2.gz LGYGUDMSRONJFG-QGZVFWFLSA-N 1 2 352.312 3.106 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(F)c1 ZINC000795984650 723616296 /nfs/dbraw/zinc/61/62/96/723616296.db2.gz LGYGUDMSRONJFG-QGZVFWFLSA-N 1 2 352.312 3.106 20 5 FGBDLO O=C(OC[C@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000798918077 723975111 /nfs/dbraw/zinc/97/51/11/723975111.db2.gz UCPCSPKYMIKUQN-NSHDSACASA-N 1 2 351.309 3.373 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000787405652 725027439 /nfs/dbraw/zinc/02/74/39/725027439.db2.gz FQSODWJTYANSBT-IPJDOKCGSA-N 1 2 360.483 3.107 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000809697532 725260076 /nfs/dbraw/zinc/26/00/76/725260076.db2.gz IPCUBROMLVQWDO-GHMZBOCLSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000809697532 725260077 /nfs/dbraw/zinc/26/00/77/725260077.db2.gz IPCUBROMLVQWDO-GHMZBOCLSA-N 1 2 352.740 3.241 20 5 FGBDLO CN(CCO)c1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH+]c1 ZINC000811483100 725368625 /nfs/dbraw/zinc/36/86/25/725368625.db2.gz BVEPRQRABJMUMP-UHFFFAOYSA-N 1 2 371.224 3.337 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813093332 726838054 /nfs/dbraw/zinc/83/80/54/726838054.db2.gz KQRXMKDBUYDOQB-VIFPVBQESA-N 1 2 369.208 3.265 20 5 FGBDLO COc1ccsc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170675 726846004 /nfs/dbraw/zinc/84/60/04/726846004.db2.gz JNSJEKMQSQAKQG-AWEZNQCLSA-N 1 2 362.407 3.096 20 5 FGBDLO COc1ccsc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170675 726846006 /nfs/dbraw/zinc/84/60/06/726846006.db2.gz JNSJEKMQSQAKQG-AWEZNQCLSA-N 1 2 362.407 3.096 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813451114 726878152 /nfs/dbraw/zinc/87/81/52/726878152.db2.gz ISTGIDFBLIXPBE-UHFFFAOYSA-N 1 2 357.197 3.308 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000829504706 729485823 /nfs/dbraw/zinc/48/58/23/729485823.db2.gz IMEYOBYZUGHGTF-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000829504706 729485825 /nfs/dbraw/zinc/48/58/25/729485825.db2.gz IMEYOBYZUGHGTF-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000830357782 729552431 /nfs/dbraw/zinc/55/24/31/729552431.db2.gz WSALXOPYNYGFKA-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000830357782 729552434 /nfs/dbraw/zinc/55/24/34/729552434.db2.gz WSALXOPYNYGFKA-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878207292 736789195 /nfs/dbraw/zinc/78/91/95/736789195.db2.gz IPDPIAUYSKFDCW-HNNXBMFYSA-N 1 2 354.834 3.408 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878207292 736789199 /nfs/dbraw/zinc/78/91/99/736789199.db2.gz IPDPIAUYSKFDCW-HNNXBMFYSA-N 1 2 354.834 3.408 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879626759 737018432 /nfs/dbraw/zinc/01/84/32/737018432.db2.gz QATZQPGQDLDHFC-LLVKDONJSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963164 737091728 /nfs/dbraw/zinc/09/17/28/737091728.db2.gz YAERRXUFLOTJNE-NWDGAFQWSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963164 737091730 /nfs/dbraw/zinc/09/17/30/737091730.db2.gz YAERRXUFLOTJNE-NWDGAFQWSA-N 1 2 369.849 3.058 20 5 FGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880108851 737121716 /nfs/dbraw/zinc/12/17/16/737121716.db2.gz KFGWQJRBKZPMGR-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000886122763 739220950 /nfs/dbraw/zinc/22/09/50/739220950.db2.gz JTDGIUGPVNJCDD-LBPRGKRZSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000886122763 739220951 /nfs/dbraw/zinc/22/09/51/739220951.db2.gz JTDGIUGPVNJCDD-LBPRGKRZSA-N 1 2 355.320 3.042 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906796 742842392 /nfs/dbraw/zinc/84/23/92/742842392.db2.gz PGVOPJSETDXMQJ-UHFFFAOYSA-N 1 2 362.455 3.457 20 5 FGBDLO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286753 743834558 /nfs/dbraw/zinc/83/45/58/743834558.db2.gz GDUQVWPJBKGSTR-BDJLRTHQSA-N 1 2 364.398 3.303 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000907781294 744236865 /nfs/dbraw/zinc/23/68/65/744236865.db2.gz PMHFOETWSRLCOP-JTQLQIEISA-N 1 2 366.780 3.141 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000917631064 758250591 /nfs/dbraw/zinc/25/05/91/758250591.db2.gz JHFLPAQTSBLXJV-UHFFFAOYSA-N 1 2 352.391 3.285 20 5 FGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000920769001 758598838 /nfs/dbraw/zinc/59/88/38/758598838.db2.gz XWMMSLDXIFMKFD-CQSZACIVSA-N 1 2 350.806 3.289 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000934651964 761684340 /nfs/dbraw/zinc/68/43/40/761684340.db2.gz GPTSQRNGXMPSCK-WFASDCNBSA-N 1 2 360.439 3.237 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000041816644 205091704 /nfs/dbraw/zinc/09/17/04/205091704.db2.gz SBZACSADZURFKF-FMIVXFBMSA-N 1 2 364.405 3.473 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000047976039 493768201 /nfs/dbraw/zinc/76/82/01/493768201.db2.gz HPJOKXZIBHZTLJ-UHFFFAOYSA-N 1 2 372.428 3.254 20 5 FGBDLO COc1cc(CSc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000029914867 493867506 /nfs/dbraw/zinc/86/75/06/493867506.db2.gz YLFVSLYPTSJOBN-UHFFFAOYSA-N 1 2 372.353 3.178 20 5 FGBDLO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000030141696 493877455 /nfs/dbraw/zinc/87/74/55/493877455.db2.gz CJGHRRDSNSSZDP-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000030141696 493877459 /nfs/dbraw/zinc/87/74/59/493877459.db2.gz CJGHRRDSNSSZDP-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000030141694 493877790 /nfs/dbraw/zinc/87/77/90/493877790.db2.gz CJGHRRDSNSSZDP-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000030141694 493877796 /nfs/dbraw/zinc/87/77/96/493877796.db2.gz CJGHRRDSNSSZDP-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000076408747 493886606 /nfs/dbraw/zinc/88/66/06/493886606.db2.gz YPMLATHVGPYOHT-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1c(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000076408747 493886612 /nfs/dbraw/zinc/88/66/12/493886612.db2.gz YPMLATHVGPYOHT-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000058825199 493888010 /nfs/dbraw/zinc/88/80/10/493888010.db2.gz NBDORZRAKDQYNR-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO Cc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000051451852 493970654 /nfs/dbraw/zinc/97/06/54/493970654.db2.gz DNRPFMXDZQSUCN-KRWDZBQOSA-N 1 2 353.378 3.207 20 5 FGBDLO O=C(NCCc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488635 493992986 /nfs/dbraw/zinc/99/29/86/493992986.db2.gz GACVEWMSMPNJNX-UHFFFAOYSA-N 1 2 370.796 3.406 20 5 FGBDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053125062 494095964 /nfs/dbraw/zinc/09/59/64/494095964.db2.gz RACJLJBRQJVGTI-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053125062 494095967 /nfs/dbraw/zinc/09/59/67/494095967.db2.gz RACJLJBRQJVGTI-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000053399304 494125724 /nfs/dbraw/zinc/12/57/24/494125724.db2.gz WKTPDYFBXBZYAW-OAHLLOKOSA-N 1 2 367.365 3.054 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000085633681 494135097 /nfs/dbraw/zinc/13/50/97/494135097.db2.gz VUXHYLIRMGVRRH-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041807618 494179074 /nfs/dbraw/zinc/17/90/74/494179074.db2.gz STMOFMNIAFXCCX-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231549 494217430 /nfs/dbraw/zinc/21/74/30/494217430.db2.gz AAURMQVRLFSRGK-UHFFFAOYSA-N 1 2 364.405 3.092 20 5 FGBDLO Cc1c(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000043347140 494290377 /nfs/dbraw/zinc/29/03/77/494290377.db2.gz QYQYUSNFGDGVBC-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1C(F)(F)F ZINC000078429142 494295343 /nfs/dbraw/zinc/29/53/43/494295343.db2.gz ABSJYJGHPBRMFT-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055555183 494359554 /nfs/dbraw/zinc/35/95/54/494359554.db2.gz DMWBAHQAURPGSB-OAHLLOKOSA-N 1 2 364.405 3.450 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016202670 494381878 /nfs/dbraw/zinc/38/18/78/494381878.db2.gz ACPIKDJMSCPDEA-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000018236692 494431070 /nfs/dbraw/zinc/43/10/70/494431070.db2.gz UKCSDZVUDWCZRQ-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000022089422 494514575 /nfs/dbraw/zinc/51/45/75/494514575.db2.gz WTPNHLDSERSCNP-MRVPVSSYSA-N 1 2 367.818 3.048 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000022261273 494518429 /nfs/dbraw/zinc/51/84/29/494518429.db2.gz XFLQFZBCBKGLQS-GFCCVEGCSA-N 1 2 354.395 3.239 20 5 FGBDLO CC(C)[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458534 494545096 /nfs/dbraw/zinc/54/50/96/494545096.db2.gz FQHIXCDYTNUZGM-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458534 494545099 /nfs/dbraw/zinc/54/50/99/494545099.db2.gz FQHIXCDYTNUZGM-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(=O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000023381239 494563081 /nfs/dbraw/zinc/56/30/81/494563081.db2.gz ZGEBCAMUGSSUKL-SFHVURJKSA-N 1 2 369.421 3.110 20 5 FGBDLO CC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000023381239 494563084 /nfs/dbraw/zinc/56/30/84/494563084.db2.gz ZGEBCAMUGSSUKL-SFHVURJKSA-N 1 2 369.421 3.110 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735990 494578278 /nfs/dbraw/zinc/57/82/78/494578278.db2.gz YIPLKZVBMUHSJX-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000023992369 494593027 /nfs/dbraw/zinc/59/30/27/494593027.db2.gz SSKNEIFWGXUPPJ-NSHDSACASA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000023992369 494593032 /nfs/dbraw/zinc/59/30/32/494593032.db2.gz SSKNEIFWGXUPPJ-NSHDSACASA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C2CC2)o1 ZINC000131393824 494604915 /nfs/dbraw/zinc/60/49/15/494604915.db2.gz GDHDDIJDHIQQGU-UHFFFAOYSA-N 1 2 369.421 3.046 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C2CC2)o1 ZINC000131393824 494604926 /nfs/dbraw/zinc/60/49/26/494604926.db2.gz GDHDDIJDHIQQGU-UHFFFAOYSA-N 1 2 369.421 3.046 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121185907 494637258 /nfs/dbraw/zinc/63/72/58/494637258.db2.gz FALJHVZHSJLCFI-CJNGLKHVSA-N 1 2 373.434 3.150 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000057267862 494697599 /nfs/dbraw/zinc/69/75/99/494697599.db2.gz YAQVEYAVESBFIR-UHFFFAOYSA-N 1 2 367.409 3.059 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000091978528 494740182 /nfs/dbraw/zinc/74/01/82/494740182.db2.gz SHQKMKMNLFTIHW-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO Cc1csc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000116272872 494751086 /nfs/dbraw/zinc/75/10/86/494751086.db2.gz UICIDMFWTYJZSJ-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000075596735 494801739 /nfs/dbraw/zinc/80/17/39/494801739.db2.gz AIWVUVAZZZFILI-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348682 494820117 /nfs/dbraw/zinc/82/01/17/494820117.db2.gz FXSAANGDDMWTMX-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348682 494820121 /nfs/dbraw/zinc/82/01/21/494820121.db2.gz FXSAANGDDMWTMX-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348595 494820280 /nfs/dbraw/zinc/82/02/80/494820280.db2.gz VHOVXPGIURASCM-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348595 494820282 /nfs/dbraw/zinc/82/02/82/494820282.db2.gz VHOVXPGIURASCM-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093083566 494823065 /nfs/dbraw/zinc/82/30/65/494823065.db2.gz GDLIWXYMKNSBSD-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093083566 494823069 /nfs/dbraw/zinc/82/30/69/494823069.db2.gz GDLIWXYMKNSBSD-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c([N+](=O)[O-])c1 ZINC000093224368 494847277 /nfs/dbraw/zinc/84/72/77/494847277.db2.gz SPZZMIUULFDXTH-UHFFFAOYSA-N 1 2 372.425 3.238 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c([N+](=O)[O-])c1 ZINC000093224368 494847280 /nfs/dbraw/zinc/84/72/80/494847280.db2.gz SPZZMIUULFDXTH-UHFFFAOYSA-N 1 2 372.425 3.238 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000121879368 494880097 /nfs/dbraw/zinc/88/00/97/494880097.db2.gz YBBLGFSLSPAPGH-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132482940 494881893 /nfs/dbraw/zinc/88/18/93/494881893.db2.gz BUMLMYAXGBGRPG-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132482940 494881898 /nfs/dbraw/zinc/88/18/98/494881898.db2.gz BUMLMYAXGBGRPG-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000122303419 494954608 /nfs/dbraw/zinc/95/46/08/494954608.db2.gz NEHATVBBEMGDMY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000122303419 494954611 /nfs/dbraw/zinc/95/46/11/494954611.db2.gz NEHATVBBEMGDMY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000122633663 495007053 /nfs/dbraw/zinc/00/70/53/495007053.db2.gz XSQLFQAAEGKDTA-MRXNPFEDSA-N 1 2 368.842 3.124 20 5 FGBDLO CCC1(CO)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000128117317 495047553 /nfs/dbraw/zinc/04/75/53/495047553.db2.gz BYRDNEDAKPOMRT-GFCCVEGCSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122927296 495054075 /nfs/dbraw/zinc/05/40/75/495054075.db2.gz WYBHWTXQQIGBNN-CPUCHLNUSA-N 1 2 374.466 3.382 20 5 FGBDLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000111376497 495069540 /nfs/dbraw/zinc/06/95/40/495069540.db2.gz JQHLUOIZRSZYQQ-BXUZGUMPSA-N 1 2 360.439 3.070 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123149365 495088124 /nfs/dbraw/zinc/08/81/24/495088124.db2.gz PZXPZPVWFWDZRH-WFASDCNBSA-N 1 2 360.439 3.237 20 5 FGBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000119112428 495096116 /nfs/dbraw/zinc/09/61/16/495096116.db2.gz JUWREAICPDQPFG-UHFFFAOYSA-N 1 2 369.849 3.466 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@H]2N1 ZINC000123589752 495156076 /nfs/dbraw/zinc/15/60/76/495156076.db2.gz YAAALMCQFJCZGC-SJORKVTESA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@H]2N1 ZINC000123589752 495156081 /nfs/dbraw/zinc/15/60/81/495156081.db2.gz YAAALMCQFJCZGC-SJORKVTESA-N 1 2 355.394 3.098 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000119590573 495197148 /nfs/dbraw/zinc/19/71/48/495197148.db2.gz QCADWHGDVXTBLE-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO COc1cc(OCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000134803385 495203573 /nfs/dbraw/zinc/20/35/73/495203573.db2.gz PJXWHJNAPJMHOB-UHFFFAOYSA-N 1 2 368.349 3.011 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129205584 495210314 /nfs/dbraw/zinc/21/03/14/495210314.db2.gz NARSQTDPIZUPDD-CQSZACIVSA-N 1 2 359.451 3.104 20 5 FGBDLO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119678478 495216547 /nfs/dbraw/zinc/21/65/47/495216547.db2.gz UVWWVJGTCIXRCL-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964878 495262132 /nfs/dbraw/zinc/26/21/32/495262132.db2.gz HIODKJHZRRJIHG-UHFFFAOYSA-N 1 2 351.366 3.426 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3c4ccccc4C[C@H]3O)cs2)c1 ZINC000113333463 495297635 /nfs/dbraw/zinc/29/76/35/495297635.db2.gz ISBSBDUODSKSLI-MSOLQXFVSA-N 1 2 367.430 3.466 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120212412 495328564 /nfs/dbraw/zinc/32/85/64/495328564.db2.gz YUUSQVPXDTYRGD-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120212412 495328569 /nfs/dbraw/zinc/32/85/69/495328569.db2.gz YUUSQVPXDTYRGD-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO Cc1oc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)nc(N)c2c1C ZINC000130308153 495371605 /nfs/dbraw/zinc/37/16/05/495371605.db2.gz WOKWIGJTHLXZHS-UHFFFAOYSA-N 1 2 367.409 3.495 20 5 FGBDLO Cc1oc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)nc(N)c2c1C ZINC000130308153 495371610 /nfs/dbraw/zinc/37/16/10/495371610.db2.gz WOKWIGJTHLXZHS-UHFFFAOYSA-N 1 2 367.409 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CC(F)F)CC3)o2)cc1 ZINC000120580953 495410201 /nfs/dbraw/zinc/41/02/01/495410201.db2.gz GMALRBLTTZLCJE-UHFFFAOYSA-N 1 2 351.353 3.238 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000115560356 495517623 /nfs/dbraw/zinc/51/76/23/495517623.db2.gz BZPKKNRTIDDGCT-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000115560356 495517625 /nfs/dbraw/zinc/51/76/25/495517625.db2.gz BZPKKNRTIDDGCT-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(N4CCCC4)[nH+]c3)cc2N1 ZINC000170639437 495542235 /nfs/dbraw/zinc/54/22/35/495542235.db2.gz FLGSWDCOQCISMX-UHFFFAOYSA-N 1 2 353.382 3.218 20 5 FGBDLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000145473084 495556777 /nfs/dbraw/zinc/55/67/77/495556777.db2.gz FVHBHFYJTZWGSY-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000148052042 495580848 /nfs/dbraw/zinc/58/08/48/495580848.db2.gz OYJQXOHKRNXESE-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000176492322 495671909 /nfs/dbraw/zinc/67/19/09/495671909.db2.gz FKDOHOFJGIXKGM-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159598908 495766281 /nfs/dbraw/zinc/76/62/81/495766281.db2.gz YLVDWBPVHZISHV-MWTRTKDXSA-N 1 2 352.843 3.458 20 5 FGBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183364209 495948529 /nfs/dbraw/zinc/94/85/29/495948529.db2.gz NUJGKVCCGXHXDR-WDEREUQCSA-N 1 2 356.386 3.099 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000577871163 505809506 /nfs/dbraw/zinc/80/95/06/505809506.db2.gz JURMSBVKWOOJOJ-CQSZACIVSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000577871163 505809510 /nfs/dbraw/zinc/80/95/10/505809510.db2.gz JURMSBVKWOOJOJ-CQSZACIVSA-N 1 2 357.385 3.470 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186455215 496005102 /nfs/dbraw/zinc/00/51/02/496005102.db2.gz UZIVZWIAAZSRSO-FOCLMDBBSA-N 1 2 366.421 3.132 20 5 FGBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000161142013 496112341 /nfs/dbraw/zinc/11/23/41/496112341.db2.gz FNUADFVSDIRMCG-LBPRGKRZSA-N 1 2 362.817 3.492 20 5 FGBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000161142013 496112344 /nfs/dbraw/zinc/11/23/44/496112344.db2.gz FNUADFVSDIRMCG-LBPRGKRZSA-N 1 2 362.817 3.492 20 5 FGBDLO Cc1c(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000155934550 496112279 /nfs/dbraw/zinc/11/22/79/496112279.db2.gz SSIPGJWECZFVQS-CQSZACIVSA-N 1 2 355.398 3.089 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)c1 ZINC000183868237 496143130 /nfs/dbraw/zinc/14/31/30/496143130.db2.gz FOFYCKCLIPMRDT-HXUWFJFHSA-N 1 2 363.421 3.402 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177814235 496207253 /nfs/dbraw/zinc/20/72/53/496207253.db2.gz DWDJCLVWLMKBKN-AWEZNQCLSA-N 1 2 356.407 3.311 20 5 FGBDLO COc1cc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000184221315 496292128 /nfs/dbraw/zinc/29/21/28/496292128.db2.gz ZWPMMIXKAKEOGO-AWEZNQCLSA-N 1 2 374.416 3.016 20 5 FGBDLO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000156714703 496317709 /nfs/dbraw/zinc/31/77/09/496317709.db2.gz NVOCARRQGHTILT-UHFFFAOYSA-N 1 2 359.292 3.014 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000184310688 496329886 /nfs/dbraw/zinc/32/98/86/496329886.db2.gz CGFLDIZGISPGPG-OAHLLOKOSA-N 1 2 370.327 3.498 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023406 496329936 /nfs/dbraw/zinc/32/99/36/496329936.db2.gz ARNGSCXHRABREE-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023406 496329945 /nfs/dbraw/zinc/32/99/45/496329945.db2.gz ARNGSCXHRABREE-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO COc1cccc(F)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184522069 496422289 /nfs/dbraw/zinc/42/22/89/496422289.db2.gz IULQWEKMZRWXMA-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000153534191 496488726 /nfs/dbraw/zinc/48/87/26/496488726.db2.gz UPSXUCIOEGXTGU-OAHLLOKOSA-N 1 2 362.817 3.129 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000187591442 496502528 /nfs/dbraw/zinc/50/25/28/496502528.db2.gz KHDNMFJCCFXEIL-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000187591442 496502535 /nfs/dbraw/zinc/50/25/35/496502535.db2.gz KHDNMFJCCFXEIL-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187592214 496503400 /nfs/dbraw/zinc/50/34/00/496503400.db2.gz SNCQRLSAMMHBEU-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187592214 496503403 /nfs/dbraw/zinc/50/34/03/496503403.db2.gz SNCQRLSAMMHBEU-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000184780024 496529080 /nfs/dbraw/zinc/52/90/80/496529080.db2.gz SHGVEXAFOTTYGP-UHFFFAOYSA-N 1 2 363.483 3.265 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184792080 496533382 /nfs/dbraw/zinc/53/33/82/496533382.db2.gz YNQMRZKSZPVPCL-LBPRGKRZSA-N 1 2 370.384 3.312 20 5 FGBDLO CC(C)c1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000187698218 496538843 /nfs/dbraw/zinc/53/88/43/496538843.db2.gz QORKLZBDISVSHA-UHFFFAOYSA-N 1 2 365.393 3.229 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000157939996 496590898 /nfs/dbraw/zinc/59/08/98/496590898.db2.gz JTHJRAXPRAQSOM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000157939996 496590902 /nfs/dbraw/zinc/59/09/02/496590902.db2.gz JTHJRAXPRAQSOM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1n1cc[nH+]c1 ZINC000158026249 496611898 /nfs/dbraw/zinc/61/18/98/496611898.db2.gz KFALXXIHWUICDO-SUMWQHHRSA-N 1 2 365.393 3.063 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176040112 496655489 /nfs/dbraw/zinc/65/54/89/496655489.db2.gz CINCVKTUQXVOAW-IBGZPJMESA-N 1 2 371.412 3.405 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176040112 496655495 /nfs/dbraw/zinc/65/54/95/496655495.db2.gz CINCVKTUQXVOAW-IBGZPJMESA-N 1 2 371.412 3.405 20 5 FGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000154042380 496665478 /nfs/dbraw/zinc/66/54/78/496665478.db2.gz CYSYORLCAHMBRD-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000154042380 496665486 /nfs/dbraw/zinc/66/54/86/496665486.db2.gz CYSYORLCAHMBRD-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO COCC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000273304100 496768940 /nfs/dbraw/zinc/76/89/40/496768940.db2.gz SBXZEYJIOZEEAO-AWEZNQCLSA-N 1 2 358.354 3.105 20 5 FGBDLO O=C(C[NH2+][C@H](c1nccs1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000195036253 496798772 /nfs/dbraw/zinc/79/87/72/496798772.db2.gz KALHPCWIIOEDJF-KRWDZBQOSA-N 1 2 368.418 3.369 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264216475 496839978 /nfs/dbraw/zinc/83/99/78/496839978.db2.gz JZBDVVUCAMFJGH-CQSZACIVSA-N 1 2 355.394 3.240 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000195246102 496859083 /nfs/dbraw/zinc/85/90/83/496859083.db2.gz OXZINKJWRBBKKZ-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195353560 496899560 /nfs/dbraw/zinc/89/95/60/496899560.db2.gz CJFLDMDUNFAOLJ-STQMWFEESA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195353560 496899565 /nfs/dbraw/zinc/89/95/65/496899565.db2.gz CJFLDMDUNFAOLJ-STQMWFEESA-N 1 2 360.439 3.258 20 5 FGBDLO Cc1ccc(Cc2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000273890344 496947237 /nfs/dbraw/zinc/94/72/37/496947237.db2.gz HYIHWLCSNWJVBQ-UHFFFAOYSA-N 1 2 353.382 3.317 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000192249784 497048782 /nfs/dbraw/zinc/04/87/82/497048782.db2.gz SEABMGHMQRKSPO-ZHACJKMWSA-N 1 2 356.426 3.306 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000248607377 497053849 /nfs/dbraw/zinc/05/38/49/497053849.db2.gz GHSYHVXDJOVITN-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000248607377 497053855 /nfs/dbraw/zinc/05/38/55/497053855.db2.gz GHSYHVXDJOVITN-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278952640 497279324 /nfs/dbraw/zinc/27/93/24/497279324.db2.gz MLQZNNKOBAYFTJ-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279036432 497312302 /nfs/dbraw/zinc/31/23/02/497312302.db2.gz XNAFCPJEPVBKBY-UHFFFAOYSA-N 1 2 354.410 3.147 20 5 FGBDLO Cc1cc(C)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193182363 497318574 /nfs/dbraw/zinc/31/85/74/497318574.db2.gz QHOLAXSFZHOZFY-UHFFFAOYSA-N 1 2 351.366 3.353 20 5 FGBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193386921 497367030 /nfs/dbraw/zinc/36/70/30/497367030.db2.gz XUXNQJIQLZGKNC-UHFFFAOYSA-N 1 2 367.365 3.024 20 5 FGBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276268640 497532882 /nfs/dbraw/zinc/53/28/82/497532882.db2.gz CKUFQCGQOWFNFO-GFCCVEGCSA-N 1 2 366.414 3.330 20 5 FGBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276268640 497532884 /nfs/dbraw/zinc/53/28/84/497532884.db2.gz CKUFQCGQOWFNFO-GFCCVEGCSA-N 1 2 366.414 3.330 20 5 FGBDLO CCC(=O)c1ccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1 ZINC000280013212 497619832 /nfs/dbraw/zinc/61/98/32/497619832.db2.gz JACCLOGDYODMNR-UHFFFAOYSA-N 1 2 372.425 3.115 20 5 FGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000268223150 497705017 /nfs/dbraw/zinc/70/50/17/497705017.db2.gz CVSRMJPKEJCMHA-GXFFZTMASA-N 1 2 366.219 3.036 20 5 FGBDLO CC(C)NC(=O)c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268279642 497717381 /nfs/dbraw/zinc/71/73/81/497717381.db2.gz RCPJYDFQGZIXMG-KBXCAEBGSA-N 1 2 371.441 3.017 20 5 FGBDLO CCOc1cccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000273143567 497803512 /nfs/dbraw/zinc/80/35/12/497803512.db2.gz FSLAROKTZVOCIS-CQSZACIVSA-N 1 2 372.425 3.226 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295903999 497848905 /nfs/dbraw/zinc/84/89/05/497848905.db2.gz NOYIKCOBMDHIHN-OAHLLOKOSA-N 1 2 360.439 3.030 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292202438 497921502 /nfs/dbraw/zinc/92/15/02/497921502.db2.gz SIPIIBPCVSLWKX-UHFFFAOYSA-N 1 2 366.425 3.212 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000280979603 497973228 /nfs/dbraw/zinc/97/32/28/497973228.db2.gz LCZBYIIXVPNXGM-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000280979603 497973230 /nfs/dbraw/zinc/97/32/30/497973230.db2.gz LCZBYIIXVPNXGM-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[NH+](C)[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1ccccc1 ZINC000289204224 498058647 /nfs/dbraw/zinc/05/86/47/498058647.db2.gz RUIIORMQPVXHHV-GOSISDBHSA-N 1 2 367.409 3.283 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000281525433 498182371 /nfs/dbraw/zinc/18/23/71/498182371.db2.gz JKJNPHAMEXIULD-UHFFFAOYSA-N 1 2 372.425 3.076 20 5 FGBDLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959609 498225550 /nfs/dbraw/zinc/22/55/50/498225550.db2.gz AZCIJMNJBQVTTO-MEDUHNTESA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959609 498225556 /nfs/dbraw/zinc/22/55/56/498225556.db2.gz AZCIJMNJBQVTTO-MEDUHNTESA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330991642 498231757 /nfs/dbraw/zinc/23/17/57/498231757.db2.gz KQASAUDTSQOMAV-SNVBAGLBSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330991642 498231765 /nfs/dbraw/zinc/23/17/65/498231765.db2.gz KQASAUDTSQOMAV-SNVBAGLBSA-N 1 2 370.247 3.416 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Br)c1 ZINC000301769138 498256579 /nfs/dbraw/zinc/25/65/79/498256579.db2.gz JKIYDFSYBBQBMK-LLVKDONJSA-N 1 2 363.215 3.443 20 5 FGBDLO Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301821044 498278563 /nfs/dbraw/zinc/27/85/63/498278563.db2.gz JWMQNKFWOQCHDD-MJGOQNOKSA-N 1 2 362.389 3.430 20 5 FGBDLO CC(C)[NH+]1CC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000297242548 498372885 /nfs/dbraw/zinc/37/28/85/498372885.db2.gz ZKOUGDWMQCATDI-UHFFFAOYSA-N 1 2 371.387 3.194 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OC(F)F)c1 ZINC000302041766 498381680 /nfs/dbraw/zinc/38/16/80/498381680.db2.gz IKTFFLMZSJPIMT-CYBMUJFWSA-N 1 2 351.309 3.249 20 5 FGBDLO Cc1ccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290206564 498464655 /nfs/dbraw/zinc/46/46/55/498464655.db2.gz VHTFARBZADYQQX-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1ccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290206564 498464660 /nfs/dbraw/zinc/46/46/60/498464660.db2.gz VHTFARBZADYQQX-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000581680587 506043704 /nfs/dbraw/zinc/04/37/04/506043704.db2.gz CDLILYROWLLMMN-INIZCTEOSA-N 1 2 357.439 3.476 20 5 FGBDLO O=c1[nH]cnc2cc(NCc3ccccc3-n3cc[nH+]c3)c([N+](=O)[O-])cc21 ZINC000302685691 498533126 /nfs/dbraw/zinc/53/31/26/498533126.db2.gz TYIINLZGBKWTGW-UHFFFAOYSA-N 1 2 362.349 3.041 20 5 FGBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000293947058 498540454 /nfs/dbraw/zinc/54/04/54/498540454.db2.gz ORWWNFDMDYDKHY-QGZVFWFLSA-N 1 2 362.357 3.188 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010085 498756849 /nfs/dbraw/zinc/75/68/49/498756849.db2.gz WSZAKUFCTPQZNT-CRAIPNDOSA-N 1 2 362.426 3.146 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010085 498756856 /nfs/dbraw/zinc/75/68/56/498756856.db2.gz WSZAKUFCTPQZNT-CRAIPNDOSA-N 1 2 362.426 3.146 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1O ZINC000294887912 498839464 /nfs/dbraw/zinc/83/94/64/498839464.db2.gz WECZYLYGYVWZAX-UHFFFAOYSA-N 1 2 357.288 3.013 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367131312 499152583 /nfs/dbraw/zinc/15/25/83/499152583.db2.gz PPGNCQBFRXGXEP-CYBMUJFWSA-N 1 2 372.400 3.287 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000368166472 499270805 /nfs/dbraw/zinc/27/08/05/499270805.db2.gz YICXDKILKKHWAI-ZDUSSCGKSA-N 1 2 374.416 3.210 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(C(F)(F)F)cs3)CC2)n1 ZINC000369682089 499435744 /nfs/dbraw/zinc/43/57/44/499435744.db2.gz RBAJQKFDTPHRRT-UHFFFAOYSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cccnc1-n1cc[nH+]c1 ZINC000373043561 499448625 /nfs/dbraw/zinc/44/86/25/499448625.db2.gz CJLWEQJQVVMKPH-UHFFFAOYSA-N 1 2 364.287 3.201 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768070 499553837 /nfs/dbraw/zinc/55/38/37/499553837.db2.gz LGXSPTNYHMXUSH-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768070 499553838 /nfs/dbraw/zinc/55/38/38/499553838.db2.gz LGXSPTNYHMXUSH-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000375928619 499569169 /nfs/dbraw/zinc/56/91/69/499569169.db2.gz ATHUHXDBONATPL-UHFFFAOYSA-N 1 2 374.416 3.203 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079964 499757851 /nfs/dbraw/zinc/75/78/51/499757851.db2.gz SEPDPKWDSHTVHD-GFCCVEGCSA-N 1 2 360.439 3.205 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079964 499757852 /nfs/dbraw/zinc/75/78/52/499757852.db2.gz SEPDPKWDSHTVHD-GFCCVEGCSA-N 1 2 360.439 3.205 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000413173684 499922284 /nfs/dbraw/zinc/92/22/84/499922284.db2.gz RGSUBVZRLOVXON-UHFFFAOYSA-N 1 2 355.398 3.007 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000413173684 499922285 /nfs/dbraw/zinc/92/22/85/499922285.db2.gz RGSUBVZRLOVXON-UHFFFAOYSA-N 1 2 355.398 3.007 20 5 FGBDLO Cn1nccc1[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413320741 499941067 /nfs/dbraw/zinc/94/10/67/499941067.db2.gz QGQPBPAEUTZZQA-GUYCJALGSA-N 1 2 353.382 3.209 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](N[C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417341347 500044846 /nfs/dbraw/zinc/04/48/46/500044846.db2.gz BMKCAOQUVSBKNV-MOPGFXCFSA-N 1 2 364.405 3.279 20 5 FGBDLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000425589124 500155036 /nfs/dbraw/zinc/15/50/36/500155036.db2.gz SMETXNFSTPFHFF-UHFFFAOYSA-N 1 2 367.308 3.469 20 5 FGBDLO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000430088375 500190787 /nfs/dbraw/zinc/19/07/87/500190787.db2.gz VMUJHGBDFGJIMR-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000430088375 500190789 /nfs/dbraw/zinc/19/07/89/500190789.db2.gz VMUJHGBDFGJIMR-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000428067617 500464509 /nfs/dbraw/zinc/46/45/09/500464509.db2.gz BECPBYNDQZAAMD-QGZVFWFLSA-N 1 2 363.461 3.229 20 5 FGBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000428067617 500464510 /nfs/dbraw/zinc/46/45/10/500464510.db2.gz BECPBYNDQZAAMD-QGZVFWFLSA-N 1 2 363.461 3.229 20 5 FGBDLO Cc1cc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420646520 500482359 /nfs/dbraw/zinc/48/23/59/500482359.db2.gz AYVUWSCPRWPIPZ-UHFFFAOYSA-N 1 2 356.426 3.051 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000432317954 500498035 /nfs/dbraw/zinc/49/80/35/500498035.db2.gz NRKHDDKREBVFKC-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1Cl ZINC000428534565 500522256 /nfs/dbraw/zinc/52/22/56/500522256.db2.gz IVBDQXSTJCYCAZ-UHFFFAOYSA-N 1 2 360.844 3.003 20 5 FGBDLO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000442980712 500658376 /nfs/dbraw/zinc/65/83/76/500658376.db2.gz RWXZDBMSBNIWIQ-UHFFFAOYSA-N 1 2 361.442 3.077 20 5 FGBDLO C[C@H]1C[C@H](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447812352 500667551 /nfs/dbraw/zinc/66/75/51/500667551.db2.gz RDNMEAPKDDIEJH-JKSUJKDBSA-N 1 2 363.458 3.044 20 5 FGBDLO CCOC(=O)c1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000433728317 500734469 /nfs/dbraw/zinc/73/44/69/500734469.db2.gz SJEGEPPWMOKJOQ-UHFFFAOYSA-N 1 2 370.409 3.379 20 5 FGBDLO C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448717985 500813492 /nfs/dbraw/zinc/81/34/92/500813492.db2.gz ZSUQYAJCFKSMCZ-KBXCAEBGSA-N 1 2 372.425 3.106 20 5 FGBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000444681339 500877957 /nfs/dbraw/zinc/87/79/57/500877957.db2.gz UXGHIXNLXXBVCT-SNVBAGLBSA-N 1 2 374.372 3.478 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444730397 500889847 /nfs/dbraw/zinc/88/98/47/500889847.db2.gz JBYJSZADVVYJFL-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444730397 500889849 /nfs/dbraw/zinc/88/98/49/500889849.db2.gz JBYJSZADVVYJFL-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449525091 501024805 /nfs/dbraw/zinc/02/48/05/501024805.db2.gz AWFIZJZPPADDPF-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449525091 501024807 /nfs/dbraw/zinc/02/48/07/501024807.db2.gz AWFIZJZPPADDPF-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000445824095 501037354 /nfs/dbraw/zinc/03/73/54/501037354.db2.gz KUQIZXHZUXQYSU-MLGOLLRUSA-N 1 2 369.381 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000445824095 501037355 /nfs/dbraw/zinc/03/73/55/501037355.db2.gz KUQIZXHZUXQYSU-MLGOLLRUSA-N 1 2 369.381 3.052 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCC[C@H]2O1 ZINC000440939030 501066617 /nfs/dbraw/zinc/06/66/17/501066617.db2.gz BILIAISPSUHKTB-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCC[C@H]2O1 ZINC000440939030 501066620 /nfs/dbraw/zinc/06/66/20/501066620.db2.gz BILIAISPSUHKTB-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000441489939 501147020 /nfs/dbraw/zinc/14/70/20/501147020.db2.gz PMDHLEHRAVEGGH-HNNXBMFYSA-N 1 2 354.366 3.172 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446726141 501157841 /nfs/dbraw/zinc/15/78/41/501157841.db2.gz NCXSBUYLWSBARA-MRXNPFEDSA-N 1 2 367.449 3.447 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446726141 501157845 /nfs/dbraw/zinc/15/78/45/501157845.db2.gz NCXSBUYLWSBARA-MRXNPFEDSA-N 1 2 367.449 3.447 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735454 501159409 /nfs/dbraw/zinc/15/94/09/501159409.db2.gz OQTWBAVUMBVVQU-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735454 501159413 /nfs/dbraw/zinc/15/94/13/501159413.db2.gz OQTWBAVUMBVVQU-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450700871 501188869 /nfs/dbraw/zinc/18/88/69/501188869.db2.gz FMRXXAWTUGGHOE-RCCFBDPRSA-N 1 2 368.437 3.490 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000450751141 501200733 /nfs/dbraw/zinc/20/07/33/501200733.db2.gz DGERDGUHPINJRF-INIZCTEOSA-N 1 2 353.426 3.369 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000450751141 501200739 /nfs/dbraw/zinc/20/07/39/501200739.db2.gz DGERDGUHPINJRF-INIZCTEOSA-N 1 2 353.426 3.369 20 5 FGBDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450310031 501231092 /nfs/dbraw/zinc/23/10/92/501231092.db2.gz WDLWGULTAWPFSM-YOEHRIQHSA-N 1 2 372.425 3.104 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1O ZINC000436914305 501231870 /nfs/dbraw/zinc/23/18/70/501231870.db2.gz YRQWQCWBVOAXJG-UHFFFAOYSA-N 1 2 372.768 3.070 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409107 501285355 /nfs/dbraw/zinc/28/53/55/501285355.db2.gz PSTHTDDLPXAPAQ-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409107 501285357 /nfs/dbraw/zinc/28/53/57/501285357.db2.gz PSTHTDDLPXAPAQ-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451436881 501293017 /nfs/dbraw/zinc/29/30/17/501293017.db2.gz XLRWZKYCSPBDBI-HZMBPMFUSA-N 1 2 370.331 3.487 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455459057 501308287 /nfs/dbraw/zinc/30/82/87/501308287.db2.gz AUKBYRHFBGVSPD-GDBMZVCRSA-N 1 2 371.441 3.461 20 5 FGBDLO CC1CCN(c2ccc(CNc3c(Cl)cncc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000596080982 506246704 /nfs/dbraw/zinc/24/67/04/506246704.db2.gz QOEPBNRIUMZJAC-UHFFFAOYSA-N 1 2 361.833 3.309 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000596096952 506254324 /nfs/dbraw/zinc/25/43/24/506254324.db2.gz AGNZTVSVCRBVNT-UHFFFAOYSA-N 1 2 351.204 3.395 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000456324701 501498287 /nfs/dbraw/zinc/49/82/87/501498287.db2.gz AYZZMGMOBYBNDH-SECBINFHSA-N 1 2 356.304 3.321 20 5 FGBDLO Cc1sc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)cc1[N+](=O)[O-] ZINC000456739162 501590042 /nfs/dbraw/zinc/59/00/42/501590042.db2.gz YGYUMVQHUOJQSQ-SECBINFHSA-N 1 2 374.422 3.428 20 5 FGBDLO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000459757366 501709618 /nfs/dbraw/zinc/70/96/18/501709618.db2.gz RTFDEYPRMSQUDH-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO COc1ccc(NC(=O)CC[N@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000459757366 501709620 /nfs/dbraw/zinc/70/96/20/501709620.db2.gz RTFDEYPRMSQUDH-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463487946 501739015 /nfs/dbraw/zinc/73/90/15/501739015.db2.gz CLFVAMGHOQBHRB-UHFFFAOYSA-N 1 2 362.357 3.493 20 5 FGBDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463487946 501739020 /nfs/dbraw/zinc/73/90/20/501739020.db2.gz CLFVAMGHOQBHRB-UHFFFAOYSA-N 1 2 362.357 3.493 20 5 FGBDLO C[C@H](c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000460172037 501748245 /nfs/dbraw/zinc/74/82/45/501748245.db2.gz LIMLWBSGDNFMMN-OAHLLOKOSA-N 1 2 369.421 3.169 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602730362 506276942 /nfs/dbraw/zinc/27/69/42/506276942.db2.gz BFQQUSTYXDFQGB-HNNXBMFYSA-N 1 2 355.316 3.006 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000481712672 501859645 /nfs/dbraw/zinc/85/96/45/501859645.db2.gz OXHWSXJMVHNLOI-FQEVSTJZSA-N 1 2 367.405 3.055 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000481712672 501859648 /nfs/dbraw/zinc/85/96/48/501859648.db2.gz OXHWSXJMVHNLOI-FQEVSTJZSA-N 1 2 367.405 3.055 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478056183 501868143 /nfs/dbraw/zinc/86/81/43/501868143.db2.gz TZPTUEFJDDROAY-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478056183 501868148 /nfs/dbraw/zinc/86/81/48/501868148.db2.gz TZPTUEFJDDROAY-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000485711097 501909949 /nfs/dbraw/zinc/90/99/49/501909949.db2.gz VJAIWVRMILDDKC-UHFFFAOYSA-N 1 2 368.393 3.274 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000485711097 501909954 /nfs/dbraw/zinc/90/99/54/501909954.db2.gz VJAIWVRMILDDKC-UHFFFAOYSA-N 1 2 368.393 3.274 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599022411 506281969 /nfs/dbraw/zinc/28/19/69/506281969.db2.gz MOWLEDRHMDDPNB-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CCCCNC(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599022102 506282325 /nfs/dbraw/zinc/28/23/25/506282325.db2.gz JOBNOISAUSUJIL-UHFFFAOYSA-N 1 2 356.426 3.276 20 5 FGBDLO COC(=O)c1cc(NCc2[nH+]ccn2CC(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000486214805 502086547 /nfs/dbraw/zinc/08/65/47/502086547.db2.gz MGAZYWPNSJQRPF-UHFFFAOYSA-N 1 2 372.303 3.061 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000464772823 502089729 /nfs/dbraw/zinc/08/97/29/502089729.db2.gz MYEIGCHQBYZMHR-WBMJQRKESA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000464772823 502089734 /nfs/dbraw/zinc/08/97/34/502089734.db2.gz MYEIGCHQBYZMHR-WBMJQRKESA-N 1 2 367.471 3.004 20 5 FGBDLO CCO[C@H](C)c1noc(CN(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])n1 ZINC000599048538 506293277 /nfs/dbraw/zinc/29/32/77/506293277.db2.gz HQCQHWOXGNPDDY-LLVKDONJSA-N 1 2 357.370 3.260 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000482668506 502146134 /nfs/dbraw/zinc/14/61/34/502146134.db2.gz JSURTCUPMLGHTE-GDBMZVCRSA-N 1 2 372.425 3.058 20 5 FGBDLO COc1cccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC000482753188 502170449 /nfs/dbraw/zinc/17/04/49/502170449.db2.gz VSVCHDGCFFSETO-UHFFFAOYSA-N 1 2 350.378 3.352 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000475579546 502218070 /nfs/dbraw/zinc/21/80/70/502218070.db2.gz VQPDBRABYOQAJE-UHFFFAOYSA-N 1 2 371.319 3.292 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000469245991 502349490 /nfs/dbraw/zinc/34/94/90/502349490.db2.gz VGGUMQODOQUJRD-MRXNPFEDSA-N 1 2 355.394 3.407 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000599073167 506309624 /nfs/dbraw/zinc/30/96/24/506309624.db2.gz LWOBNVYVJHDDIZ-NHYWBVRUSA-N 1 2 355.316 3.283 20 5 FGBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CC)C(=O)OCC ZINC000483445483 502396238 /nfs/dbraw/zinc/39/62/38/502396238.db2.gz WXIBJLCMYFZGIN-MRXNPFEDSA-N 1 2 366.414 3.015 20 5 FGBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CC)C(=O)OCC ZINC000483445483 502396240 /nfs/dbraw/zinc/39/62/40/502396240.db2.gz WXIBJLCMYFZGIN-MRXNPFEDSA-N 1 2 366.414 3.015 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000599081747 506315270 /nfs/dbraw/zinc/31/52/70/506315270.db2.gz LWNFWRSMVIDOJS-YPMHNXCESA-N 1 2 355.316 3.140 20 5 FGBDLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000473170288 502535239 /nfs/dbraw/zinc/53/52/39/502535239.db2.gz OPNAVSWZCJSEBU-HZMBPMFUSA-N 1 2 360.395 3.091 20 5 FGBDLO COc1cc(C[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])cc1OC(F)F ZINC000473176220 502537245 /nfs/dbraw/zinc/53/72/45/502537245.db2.gz JYVSZTNIOXVBQY-LLVKDONJSA-N 1 2 374.365 3.090 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000462755439 502558631 /nfs/dbraw/zinc/55/86/31/502558631.db2.gz VIMZTTPBVRRSEV-OAHLLOKOSA-N 1 2 352.394 3.128 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](c2cc(C)cc[nH+]2)C1 ZINC000599100717 506322637 /nfs/dbraw/zinc/32/26/37/506322637.db2.gz MMKNFQLBYWETIM-AWEZNQCLSA-N 1 2 355.394 3.387 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000473514069 502617928 /nfs/dbraw/zinc/61/79/28/502617928.db2.gz SLAMLRQVDJCCIU-UHFFFAOYSA-N 1 2 364.405 3.141 20 5 FGBDLO Cn1cc([C@H]2C[C@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCO2)cn1 ZINC000599106809 506325464 /nfs/dbraw/zinc/32/54/64/506325464.db2.gz HKQVTLCUKNYTQD-RHSMWYFYSA-N 1 2 353.382 3.209 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470114413 502665306 /nfs/dbraw/zinc/66/53/06/502665306.db2.gz KNNUDXSFSXVBID-UHFFFAOYSA-N 1 2 373.388 3.441 20 5 FGBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599118290 506329477 /nfs/dbraw/zinc/32/94/77/506329477.db2.gz LZBUJKYRXNWVFV-ZIAGYGMSSA-N 1 2 369.412 3.155 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ncnn1C ZINC000474011837 502778766 /nfs/dbraw/zinc/77/87/66/502778766.db2.gz SODIURUABFGXSQ-AWEZNQCLSA-N 1 2 366.425 3.342 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418812 502792161 /nfs/dbraw/zinc/79/21/61/502792161.db2.gz SWAVKIQCNQROQG-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418812 502792165 /nfs/dbraw/zinc/79/21/65/502792165.db2.gz SWAVKIQCNQROQG-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000484994570 502795540 /nfs/dbraw/zinc/79/55/40/502795540.db2.gz QNXCMKSJKOULHH-CQSZACIVSA-N 1 2 359.401 3.433 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000484994570 502795545 /nfs/dbraw/zinc/79/55/45/502795545.db2.gz QNXCMKSJKOULHH-CQSZACIVSA-N 1 2 359.401 3.433 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505483257 502913775 /nfs/dbraw/zinc/91/37/75/502913775.db2.gz HKPJJLWWYPXZTF-KRWDZBQOSA-N 1 2 357.385 3.083 20 5 FGBDLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000513387019 502922708 /nfs/dbraw/zinc/92/27/08/502922708.db2.gz UMCIDIZDFMWQAR-OAHLLOKOSA-N 1 2 371.437 3.188 20 5 FGBDLO Cc1ccccc1OCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513655117 502991534 /nfs/dbraw/zinc/99/15/34/502991534.db2.gz LEOPTWUMJHRCBQ-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513661713 502994644 /nfs/dbraw/zinc/99/46/44/502994644.db2.gz PYYHMKDVMHVPQU-RBUKOAKNSA-N 1 2 366.421 3.395 20 5 FGBDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513708414 503006240 /nfs/dbraw/zinc/00/62/40/503006240.db2.gz RPRWRQNOMJCHCK-CXAGYDPISA-N 1 2 374.441 3.128 20 5 FGBDLO CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000506366550 503102189 /nfs/dbraw/zinc/10/21/89/503102189.db2.gz ZUBALMWZIQRZPH-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000506366550 503102192 /nfs/dbraw/zinc/10/21/92/503102192.db2.gz ZUBALMWZIQRZPH-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cn2cc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000514240641 503123466 /nfs/dbraw/zinc/12/34/66/503123466.db2.gz CGHUHPDKTJQHNC-UHFFFAOYSA-N 1 2 362.292 3.405 20 5 FGBDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)sc2C1 ZINC000510522954 503133354 /nfs/dbraw/zinc/13/33/54/503133354.db2.gz RUTBEFYRQSUUSN-AWEZNQCLSA-N 1 2 372.494 3.498 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000498433554 503185078 /nfs/dbraw/zinc/18/50/78/503185078.db2.gz MVQREKDPGRRADY-CYBMUJFWSA-N 1 2 370.409 3.487 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507244288 503258918 /nfs/dbraw/zinc/25/89/18/503258918.db2.gz VKEHTYRLIWIZKH-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507244288 503258922 /nfs/dbraw/zinc/25/89/22/503258922.db2.gz VKEHTYRLIWIZKH-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266963 503264627 /nfs/dbraw/zinc/26/46/27/503264627.db2.gz ZKEGEDKQFGMDJJ-GOSISDBHSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266963 503264630 /nfs/dbraw/zinc/26/46/30/503264630.db2.gz ZKEGEDKQFGMDJJ-GOSISDBHSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599179640 506361945 /nfs/dbraw/zinc/36/19/45/506361945.db2.gz PBHPSTROWKSWSU-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO CCc1cc(N[C@@H](C)[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503300746 503386573 /nfs/dbraw/zinc/38/65/73/503386573.db2.gz FTOPYSLPPXLTQN-DZGCQCFKSA-N 1 2 356.426 3.263 20 5 FGBDLO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492974598 503397321 /nfs/dbraw/zinc/39/73/21/503397321.db2.gz YPJZFPWZFODTPV-GOSISDBHSA-N 1 2 350.378 3.108 20 5 FGBDLO Cc1ccnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000511848211 503399303 /nfs/dbraw/zinc/39/93/03/503399303.db2.gz MDJQMVNHDRGDSK-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO COc1cc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000593069531 506372612 /nfs/dbraw/zinc/37/26/12/506372612.db2.gz BPRKZWQPXIYMEK-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO COc1cc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000593069531 506372620 /nfs/dbraw/zinc/37/26/20/506372620.db2.gz BPRKZWQPXIYMEK-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499957930 503521754 /nfs/dbraw/zinc/52/17/54/503521754.db2.gz URMTWMXWQVRQLR-CQSZACIVSA-N 1 2 354.765 3.219 20 5 FGBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500091562 503551134 /nfs/dbraw/zinc/55/11/34/503551134.db2.gz SXLPCBMDUHTSHM-QGZVFWFLSA-N 1 2 373.409 3.152 20 5 FGBDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500091562 503551138 /nfs/dbraw/zinc/55/11/38/503551138.db2.gz SXLPCBMDUHTSHM-QGZVFWFLSA-N 1 2 373.409 3.152 20 5 FGBDLO Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536660172 503665293 /nfs/dbraw/zinc/66/52/93/503665293.db2.gz DDZQJHZPFSXIIS-RDJZCZTQSA-N 1 2 356.426 3.398 20 5 FGBDLO COc1ccc(C2([NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000540359691 503748746 /nfs/dbraw/zinc/74/87/46/503748746.db2.gz UCCBDZIEOSNJPM-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000540478853 503784046 /nfs/dbraw/zinc/78/40/46/503784046.db2.gz YQLQFWLQFNIMLZ-MRXNPFEDSA-N 1 2 372.356 3.261 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543980358 503958481 /nfs/dbraw/zinc/95/84/81/503958481.db2.gz AURMLWWHDMRQMZ-MRXNPFEDSA-N 1 2 371.828 3.450 20 5 FGBDLO C[C@H]1CN(c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530428708 503961937 /nfs/dbraw/zinc/96/19/37/503961937.db2.gz RXTIZGMKEVSRJR-QWRGUYRKSA-N 1 2 374.426 3.056 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544038221 503982003 /nfs/dbraw/zinc/98/20/03/503982003.db2.gz NRJAYBYEWFLFGE-UHFFFAOYSA-N 1 2 360.389 3.263 20 5 FGBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000544069948 503994985 /nfs/dbraw/zinc/99/49/85/503994985.db2.gz AQKZRIGAJXQGSY-UHFFFAOYSA-N 1 2 368.480 3.341 20 5 FGBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000544069948 503994988 /nfs/dbraw/zinc/99/49/88/503994988.db2.gz AQKZRIGAJXQGSY-UHFFFAOYSA-N 1 2 368.480 3.341 20 5 FGBDLO CCOc1cccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000544352815 504100135 /nfs/dbraw/zinc/10/01/35/504100135.db2.gz ONUAEOWYMZWJLG-GOSISDBHSA-N 1 2 371.437 3.479 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000547451149 504110390 /nfs/dbraw/zinc/11/03/90/504110390.db2.gz RVPBIGOMJOFYAO-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc(Cl)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000534912888 504278580 /nfs/dbraw/zinc/27/85/80/504278580.db2.gz OZCBBXUGNBHRAS-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc(Cl)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000534912888 504278590 /nfs/dbraw/zinc/27/85/90/504278590.db2.gz OZCBBXUGNBHRAS-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOCC2)cc1OC ZINC000541985818 504323980 /nfs/dbraw/zinc/32/39/80/504323980.db2.gz PCTJBKJCPGQVOG-CQSZACIVSA-N 1 2 352.431 3.251 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOCC2)cc1OC ZINC000541985818 504323983 /nfs/dbraw/zinc/32/39/83/504323983.db2.gz PCTJBKJCPGQVOG-CQSZACIVSA-N 1 2 352.431 3.251 20 5 FGBDLO COc1ccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000542032177 504343388 /nfs/dbraw/zinc/34/33/88/504343388.db2.gz NLLUCFYNIFKSTG-UHFFFAOYSA-N 1 2 369.381 3.083 20 5 FGBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542111920 504367521 /nfs/dbraw/zinc/36/75/21/504367521.db2.gz LXSKPXLRRLDDFJ-UHFFFAOYSA-N 1 2 371.441 3.193 20 5 FGBDLO Cc1cccn2cc(Cc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)[nH+]c12 ZINC000545144958 504374529 /nfs/dbraw/zinc/37/45/29/504374529.db2.gz XXSXGGILHNPVJZ-UHFFFAOYSA-N 1 2 363.377 3.424 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4cn5ccccc5[nH+]4)n3)c2c1 ZINC000545146724 504374684 /nfs/dbraw/zinc/37/46/84/504374684.db2.gz RDUXPMRMGSFKIG-UHFFFAOYSA-N 1 2 374.360 3.288 20 5 FGBDLO Cc1sc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000542167261 504389331 /nfs/dbraw/zinc/38/93/31/504389331.db2.gz RGCUYYVWHFMFTD-UHFFFAOYSA-N 1 2 362.455 3.494 20 5 FGBDLO Cc1cn2cc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)ccc2[nH+]1 ZINC000535305001 504397613 /nfs/dbraw/zinc/39/76/13/504397613.db2.gz SRUUWLMUPGTNHY-UHFFFAOYSA-N 1 2 351.366 3.141 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000545823558 504606423 /nfs/dbraw/zinc/60/64/23/504606423.db2.gz DSHAXEUTVGTPAF-IVOILVROSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000545823558 504606425 /nfs/dbraw/zinc/60/64/25/504606425.db2.gz DSHAXEUTVGTPAF-IVOILVROSA-N 1 2 358.398 3.320 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000542804070 504616641 /nfs/dbraw/zinc/61/66/41/504616641.db2.gz MFFHVCYXDDLKQU-ZDUSSCGKSA-N 1 2 357.414 3.268 20 5 FGBDLO Cc1cccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000549133514 504698095 /nfs/dbraw/zinc/69/80/95/504698095.db2.gz HAPKTTOMIAWYCC-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543052373 504705402 /nfs/dbraw/zinc/70/54/02/504705402.db2.gz MFNCUCYOCGMLPZ-LBPRGKRZSA-N 1 2 353.382 3.453 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000549373026 504803625 /nfs/dbraw/zinc/80/36/25/504803625.db2.gz LSDSGVULJIDKOD-LLVKDONJSA-N 1 2 353.382 3.279 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)c2ncnc3sc([N+](=O)[O-])cc32)c1C ZINC000553008670 504803737 /nfs/dbraw/zinc/80/37/37/504803737.db2.gz OUVCUMXAFCBBLA-UHFFFAOYSA-N 1 2 359.411 3.256 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556629 504848815 /nfs/dbraw/zinc/84/88/15/504848815.db2.gz ZTKOCLHWHMFSLF-BEFAXECRSA-N 1 2 355.438 3.301 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556629 504848817 /nfs/dbraw/zinc/84/88/17/504848817.db2.gz ZTKOCLHWHMFSLF-BEFAXECRSA-N 1 2 355.438 3.301 20 5 FGBDLO CCc1cc(NC[C@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553308619 504879229 /nfs/dbraw/zinc/87/92/29/504879229.db2.gz HMRKJMDKNZQGBS-DZGCQCFKSA-N 1 2 356.426 3.121 20 5 FGBDLO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549823563 504907940 /nfs/dbraw/zinc/90/79/40/504907940.db2.gz CBJKXADVQZXXCB-UHFFFAOYSA-N 1 2 350.415 3.244 20 5 FGBDLO C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)n1cc[nH+]c1 ZINC000565719927 504968538 /nfs/dbraw/zinc/96/85/38/504968538.db2.gz OEYJPGNHDADTGH-GFCCVEGCSA-N 1 2 370.331 3.334 20 5 FGBDLO Cc1cc(NCCCCN2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000562915709 504986011 /nfs/dbraw/zinc/98/60/11/504986011.db2.gz MLXYRIRPWSBJHW-UHFFFAOYSA-N 1 2 374.407 3.362 20 5 FGBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000557517046 505154304 /nfs/dbraw/zinc/15/43/04/505154304.db2.gz DKZNGGSALUDCAG-UHFFFAOYSA-N 1 2 357.373 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000566927543 505313636 /nfs/dbraw/zinc/31/36/36/505313636.db2.gz GBMCCSWHWUVULR-UHFFFAOYSA-N 1 2 356.422 3.118 20 5 FGBDLO CC(C)[C@H]1CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566945425 505318589 /nfs/dbraw/zinc/31/85/89/505318589.db2.gz DNRJFLKLHXVDMC-CYBMUJFWSA-N 1 2 360.195 3.430 20 5 FGBDLO CC(C)[C@H]1CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566945425 505318592 /nfs/dbraw/zinc/31/85/92/505318592.db2.gz DNRJFLKLHXVDMC-CYBMUJFWSA-N 1 2 360.195 3.430 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000555003868 505325854 /nfs/dbraw/zinc/32/58/54/505325854.db2.gz LLDWBFBXLAGMIM-UHFFFAOYSA-N 1 2 354.366 3.287 20 5 FGBDLO CC(=O)c1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000555899499 505536332 /nfs/dbraw/zinc/53/63/32/505536332.db2.gz UCUFZPQSQQKLQC-HXUWFJFHSA-N 1 2 369.421 3.283 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599511563 506478347 /nfs/dbraw/zinc/47/83/47/506478347.db2.gz AEFJYHBWVWNZFO-UTUOFQBUSA-N 1 2 371.384 3.154 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596593805 506479199 /nfs/dbraw/zinc/47/91/99/506479199.db2.gz SKZHGHUJSBIJLX-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596593805 506479204 /nfs/dbraw/zinc/47/92/04/506479204.db2.gz SKZHGHUJSBIJLX-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513234 506480634 /nfs/dbraw/zinc/48/06/34/506480634.db2.gz RCICRQXQKJUUOL-SRVKXCTJSA-N 1 2 371.384 3.154 20 5 FGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210588 506486485 /nfs/dbraw/zinc/48/64/85/506486485.db2.gz YVPBKCXVYFTURC-UHFFFAOYSA-N 1 2 357.410 3.064 20 5 FGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589210588 506486490 /nfs/dbraw/zinc/48/64/90/506486490.db2.gz YVPBKCXVYFTURC-UHFFFAOYSA-N 1 2 357.410 3.064 20 5 FGBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC3 ZINC000609195867 506810677 /nfs/dbraw/zinc/81/06/77/506810677.db2.gz IBYMRQDUPVLFEJ-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC3 ZINC000609195867 506810680 /nfs/dbraw/zinc/81/06/80/506810680.db2.gz IBYMRQDUPVLFEJ-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234412 506822121 /nfs/dbraw/zinc/82/21/21/506822121.db2.gz ROPUJUYPSVZATE-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234412 506822127 /nfs/dbraw/zinc/82/21/27/506822127.db2.gz ROPUJUYPSVZATE-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000609441885 506881393 /nfs/dbraw/zinc/88/13/93/506881393.db2.gz SRWMVFOZEKMSFL-UHFFFAOYSA-N 1 2 372.400 3.295 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000609488553 506897729 /nfs/dbraw/zinc/89/77/29/506897729.db2.gz IUVISMISJXJRAY-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000609564097 506924009 /nfs/dbraw/zinc/92/40/09/506924009.db2.gz GPUKGSBZVTWJRY-AWEZNQCLSA-N 1 2 367.858 3.165 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1Br ZINC000610045187 507081129 /nfs/dbraw/zinc/08/11/29/507081129.db2.gz GQBGJUHWOWYZPI-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO Cc1sc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610304705 507185623 /nfs/dbraw/zinc/18/56/23/507185623.db2.gz XHWAPEZSUYITCR-CQSZACIVSA-N 1 2 370.434 3.412 20 5 FGBDLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000610304419 507186106 /nfs/dbraw/zinc/18/61/06/507186106.db2.gz DDOAKYYBFNHJAM-GOSISDBHSA-N 1 2 364.405 3.351 20 5 FGBDLO CCc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610434771 507237638 /nfs/dbraw/zinc/23/76/38/507237638.db2.gz LCSPJAPQALKNSC-UHFFFAOYSA-N 1 2 352.394 3.086 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610453781 507247362 /nfs/dbraw/zinc/24/73/62/507247362.db2.gz WHLRJVDYCRKKDR-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610453781 507247374 /nfs/dbraw/zinc/24/73/74/507247374.db2.gz WHLRJVDYCRKKDR-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC(=O)c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000601241129 507308461 /nfs/dbraw/zinc/30/84/61/507308461.db2.gz YVGJBCLRIYBCJV-UHFFFAOYSA-N 1 2 372.450 3.358 20 5 FGBDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000595069869 507378084 /nfs/dbraw/zinc/37/80/84/507378084.db2.gz SQRNXCKKJCUQJD-NSHDSACASA-N 1 2 373.438 3.439 20 5 FGBDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000592161482 507518464 /nfs/dbraw/zinc/51/84/64/507518464.db2.gz ZZIVRXFVFFIYOK-UHFFFAOYSA-N 1 2 374.441 3.415 20 5 FGBDLO CCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611261156 507588396 /nfs/dbraw/zinc/58/83/96/507588396.db2.gz BWSZBEPOQZEQHZ-UHFFFAOYSA-N 1 2 371.384 3.077 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000595613669 507592107 /nfs/dbraw/zinc/59/21/07/507592107.db2.gz DGFLELNSAZOLDA-CYBMUJFWSA-N 1 2 373.409 3.403 20 5 FGBDLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602131546 507603204 /nfs/dbraw/zinc/60/32/04/507603204.db2.gz DZRKKMHUSWCPOH-GXFFZTMASA-N 1 2 356.304 3.162 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595821954 507699941 /nfs/dbraw/zinc/69/99/41/507699941.db2.gz JNRMKYAZPYHYAU-UHFFFAOYSA-N 1 2 350.390 3.134 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595821954 507699945 /nfs/dbraw/zinc/69/99/45/507699945.db2.gz JNRMKYAZPYHYAU-UHFFFAOYSA-N 1 2 350.390 3.134 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC=CCC1 ZINC000611517528 507717220 /nfs/dbraw/zinc/71/72/20/507717220.db2.gz LSCQVIINQPJOJL-LBPRGKRZSA-N 1 2 358.423 3.307 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC=CCC1 ZINC000611517528 507717227 /nfs/dbraw/zinc/71/72/27/507717227.db2.gz LSCQVIINQPJOJL-LBPRGKRZSA-N 1 2 358.423 3.307 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(CNC[C@@H](c3ccco3)[NH+]3CCCC3)nc2c1 ZINC000602505969 507730374 /nfs/dbraw/zinc/73/03/74/507730374.db2.gz QYQJZUDIMDZXAR-HNNXBMFYSA-N 1 2 356.382 3.256 20 5 FGBDLO CC(C)c1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000611560663 507739410 /nfs/dbraw/zinc/73/94/10/507739410.db2.gz OWMNZIDYZZXWBO-QGZVFWFLSA-N 1 2 355.398 3.319 20 5 FGBDLO Cc1cc(NCCc2ccc3c[nH]nc3c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588048400 507745836 /nfs/dbraw/zinc/74/58/36/507745836.db2.gz VFZWPTXLDBUGNS-UHFFFAOYSA-N 1 2 374.404 3.313 20 5 FGBDLO CCCC[N@H+](C)c1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821061132 606709142 /nfs/dbraw/zinc/70/91/42/606709142.db2.gz NLBGQBWMWXSFBI-UHFFFAOYSA-N 1 2 368.401 3.150 20 5 FGBDLO CCCC[N@@H+](C)c1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821061132 606709144 /nfs/dbraw/zinc/70/91/44/606709144.db2.gz NLBGQBWMWXSFBI-UHFFFAOYSA-N 1 2 368.401 3.150 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000246337119 713622076 /nfs/dbraw/zinc/62/20/76/713622076.db2.gz UBHYUYGKVWIGJO-ZWKOTPCHSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000246337119 713622079 /nfs/dbraw/zinc/62/20/79/713622079.db2.gz UBHYUYGKVWIGJO-ZWKOTPCHSA-N 1 2 362.813 3.355 20 5 FGBDLO CSc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000746320760 722598435 /nfs/dbraw/zinc/59/84/35/722598435.db2.gz CYBJQSFJIHIAKP-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO CSc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000746320760 722598436 /nfs/dbraw/zinc/59/84/36/722598436.db2.gz CYBJQSFJIHIAKP-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584570 723260734 /nfs/dbraw/zinc/26/07/34/723260734.db2.gz UDJAVYNMVPLJKI-WCBMZHEXSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584570 723260735 /nfs/dbraw/zinc/26/07/35/723260735.db2.gz UDJAVYNMVPLJKI-WCBMZHEXSA-N 1 2 365.739 3.459 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000793155335 723404557 /nfs/dbraw/zinc/40/45/57/723404557.db2.gz WRYUCKCCPXFNRQ-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664918 723539430 /nfs/dbraw/zinc/53/94/30/723539430.db2.gz LQRNEMXRVXCBRN-ZYHUDNBSSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664918 723539433 /nfs/dbraw/zinc/53/94/33/723539433.db2.gz LQRNEMXRVXCBRN-ZYHUDNBSSA-N 1 2 355.320 3.084 20 5 FGBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796603746 723646002 /nfs/dbraw/zinc/64/60/02/723646002.db2.gz ZUZYZQDGZVXOOW-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796603746 723646004 /nfs/dbraw/zinc/64/60/04/723646004.db2.gz ZUZYZQDGZVXOOW-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770392885 723712994 /nfs/dbraw/zinc/71/29/94/723712994.db2.gz ZSZVVOFNQYMWIL-NSHDSACASA-N 1 2 363.805 3.393 20 5 FGBDLO Cc1nn(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)cc1[N+](=O)[O-] ZINC000789452148 725129570 /nfs/dbraw/zinc/12/95/70/725129570.db2.gz GHSLJVLLMWJGNX-UHFFFAOYSA-N 1 2 363.849 3.231 20 5 FGBDLO Cc1nn(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)cc1[N+](=O)[O-] ZINC000789452148 725129571 /nfs/dbraw/zinc/12/95/71/725129571.db2.gz GHSLJVLLMWJGNX-UHFFFAOYSA-N 1 2 363.849 3.231 20 5 FGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913560 725275512 /nfs/dbraw/zinc/27/55/12/725275512.db2.gz NRNPSBZLBQJEIR-UHFFFAOYSA-N 1 2 360.801 3.386 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)c1 ZINC000811520752 725372287 /nfs/dbraw/zinc/37/22/87/725372287.db2.gz UMYLEOWQJNNRBG-GFCCVEGCSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)c1 ZINC000811520752 725372289 /nfs/dbraw/zinc/37/22/89/725372289.db2.gz UMYLEOWQJNNRBG-GFCCVEGCSA-N 1 2 365.231 3.309 20 5 FGBDLO CCS[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)C ZINC000813171832 726846031 /nfs/dbraw/zinc/84/60/31/726846031.db2.gz BPKFRNZORVCVOM-DLBZAZTESA-N 1 2 366.483 3.490 20 5 FGBDLO CCS[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)C ZINC000813171832 726846032 /nfs/dbraw/zinc/84/60/32/726846032.db2.gz BPKFRNZORVCVOM-DLBZAZTESA-N 1 2 366.483 3.490 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000813592043 726895912 /nfs/dbraw/zinc/89/59/12/726895912.db2.gz DDIOPAKKWVNGMK-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000813592043 726895914 /nfs/dbraw/zinc/89/59/14/726895914.db2.gz DDIOPAKKWVNGMK-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(C)[nH+]1 ZINC000817141654 727224174 /nfs/dbraw/zinc/22/41/74/727224174.db2.gz IUGYHFXXKWRKSA-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO CSc1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000826703161 729412915 /nfs/dbraw/zinc/41/29/15/729412915.db2.gz BKXIXCUSFQVQML-OAHLLOKOSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000826703161 729412916 /nfs/dbraw/zinc/41/29/16/729412916.db2.gz BKXIXCUSFQVQML-OAHLLOKOSA-N 1 2 357.435 3.233 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000830361351 729552730 /nfs/dbraw/zinc/55/27/30/729552730.db2.gz JOXNTYLHEVMOMR-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000830361351 729552733 /nfs/dbraw/zinc/55/27/33/729552733.db2.gz JOXNTYLHEVMOMR-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000844377273 730710143 /nfs/dbraw/zinc/71/01/43/730710143.db2.gz DSOGBHGDPSCVNB-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000844377273 730710147 /nfs/dbraw/zinc/71/01/47/730710147.db2.gz DSOGBHGDPSCVNB-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847037653 731009992 /nfs/dbraw/zinc/00/99/92/731009992.db2.gz QAQDBWMDLBZCRI-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847037653 731009995 /nfs/dbraw/zinc/00/99/95/731009995.db2.gz QAQDBWMDLBZCRI-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851955449 731523827 /nfs/dbraw/zinc/52/38/27/731523827.db2.gz WUTBLMWGLCDPHT-UHFFFAOYSA-N 1 2 366.780 3.221 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511962 731716222 /nfs/dbraw/zinc/71/62/22/731716222.db2.gz WMZRRASBKBPGDP-QWRGUYRKSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511962 731716226 /nfs/dbraw/zinc/71/62/26/731716226.db2.gz WMZRRASBKBPGDP-QWRGUYRKSA-N 1 2 355.320 3.084 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878208601 736789304 /nfs/dbraw/zinc/78/93/04/736789304.db2.gz XFUKSHLXXOXPET-HNNXBMFYSA-N 1 2 354.834 3.266 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878208601 736789311 /nfs/dbraw/zinc/78/93/11/736789311.db2.gz XFUKSHLXXOXPET-HNNXBMFYSA-N 1 2 354.834 3.266 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000880002283 737096366 /nfs/dbraw/zinc/09/63/66/737096366.db2.gz JAGJKGBDSYIEFS-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000880002283 737096371 /nfs/dbraw/zinc/09/63/71/737096371.db2.gz JAGJKGBDSYIEFS-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000883295568 737548582 /nfs/dbraw/zinc/54/85/82/737548582.db2.gz MGDLEQBBSKXGRA-JTQLQIEISA-N 1 2 365.231 3.351 20 5 FGBDLO CC(C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912615838 757354687 /nfs/dbraw/zinc/35/46/87/757354687.db2.gz RRRXWYPKPZOWRV-UHFFFAOYSA-N 1 2 368.846 3.088 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033456687 208093149 /nfs/dbraw/zinc/09/31/49/208093149.db2.gz QLKHOCSCZRFCEB-DAXSKMNVSA-N 1 2 366.421 3.458 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000570762569 505573971 /nfs/dbraw/zinc/57/39/71/505573971.db2.gz CACZIEIUVIXQOS-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000576757801 505586882 /nfs/dbraw/zinc/58/68/82/505586882.db2.gz KKTFKDSLMYLNHS-CYBMUJFWSA-N 1 2 357.410 3.377 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076612854 493933889 /nfs/dbraw/zinc/93/38/89/493933889.db2.gz HSGHWEWLPXUEAQ-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076612854 493933890 /nfs/dbraw/zinc/93/38/90/493933890.db2.gz HSGHWEWLPXUEAQ-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO C[C@@H](Cc1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032177803 493977080 /nfs/dbraw/zinc/97/70/80/493977080.db2.gz FGZBKIGMCQRJHJ-LBPRGKRZSA-N 1 2 356.407 3.203 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)c3ccc(Cl)cc3)n2)cc1 ZINC000568431343 505692729 /nfs/dbraw/zinc/69/27/29/505692729.db2.gz KHSLACYTKYYCNO-HNNXBMFYSA-N 1 2 374.784 3.121 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000007878503 494048557 /nfs/dbraw/zinc/04/85/57/494048557.db2.gz YUMUZUVBTUMMMN-LLVKDONJSA-N 1 2 361.423 3.223 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000007878503 494048559 /nfs/dbraw/zinc/04/85/59/494048559.db2.gz YUMUZUVBTUMMMN-LLVKDONJSA-N 1 2 361.423 3.223 20 5 FGBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1c[nH]c2ccccc12 ZINC000052844587 494068125 /nfs/dbraw/zinc/06/81/25/494068125.db2.gz WPZVPHQWZXKWDD-UHFFFAOYSA-N 1 2 364.405 3.081 20 5 FGBDLO Cc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000052994266 494082433 /nfs/dbraw/zinc/08/24/33/494082433.db2.gz KVKRQEOZQMRZLH-UHFFFAOYSA-N 1 2 355.394 3.050 20 5 FGBDLO Cc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000052994266 494082434 /nfs/dbraw/zinc/08/24/34/494082434.db2.gz KVKRQEOZQMRZLH-UHFFFAOYSA-N 1 2 355.394 3.050 20 5 FGBDLO COc1ccccc1C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000053238383 494108979 /nfs/dbraw/zinc/10/89/79/494108979.db2.gz PKDIRSGSOCKSRG-UHFFFAOYSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1ccccc1C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000053238383 494108981 /nfs/dbraw/zinc/10/89/81/494108981.db2.gz PKDIRSGSOCKSRG-UHFFFAOYSA-N 1 2 369.421 3.231 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000086336155 494148435 /nfs/dbraw/zinc/14/84/35/494148435.db2.gz UWPHCOFWUFPKJB-LBPRGKRZSA-N 1 2 366.377 3.286 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000065011416 494164313 /nfs/dbraw/zinc/16/43/13/494164313.db2.gz DFJWRMQNMNJJRY-UHFFFAOYSA-N 1 2 352.350 3.013 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c(F)c1 ZINC000042096727 494200342 /nfs/dbraw/zinc/20/03/42/494200342.db2.gz GECNQLSCFMHQKF-OAHLLOKOSA-N 1 2 351.403 3.281 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000042309369 494214992 /nfs/dbraw/zinc/21/49/92/494214992.db2.gz QHUCWCDRHIDLQJ-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000073117961 494324386 /nfs/dbraw/zinc/32/43/86/494324386.db2.gz AIDWUOHWRQJBDQ-MRXNPFEDSA-N 1 2 365.437 3.121 20 5 FGBDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccco1 ZINC000089885661 494391954 /nfs/dbraw/zinc/39/19/54/494391954.db2.gz RMSDVFMFRFJION-UHFFFAOYSA-N 1 2 357.366 3.491 20 5 FGBDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccco1 ZINC000089885661 494391957 /nfs/dbraw/zinc/39/19/57/494391957.db2.gz RMSDVFMFRFJION-UHFFFAOYSA-N 1 2 357.366 3.491 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000016590919 494395604 /nfs/dbraw/zinc/39/56/04/494395604.db2.gz MGEVFYGFWMZARX-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000016590919 494395606 /nfs/dbraw/zinc/39/56/06/494395606.db2.gz MGEVFYGFWMZARX-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO Cn1c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2[nH+]c1C1CC1 ZINC000089988326 494420530 /nfs/dbraw/zinc/42/05/30/494420530.db2.gz MONWHUCOUWIUIR-UHFFFAOYSA-N 1 2 351.366 3.193 20 5 FGBDLO O=C([C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 ZINC000056178666 494466069 /nfs/dbraw/zinc/46/60/69/494466069.db2.gz CFZDZYAOHLFBGL-IBGZPJMESA-N 1 2 353.422 3.438 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000056226352 494473633 /nfs/dbraw/zinc/47/36/33/494473633.db2.gz YLYOIKNRRKVYSF-UHFFFAOYSA-N 1 2 358.304 3.335 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000022261589 494518539 /nfs/dbraw/zinc/51/85/39/494518539.db2.gz TWEHVZBWEBDWFR-GFCCVEGCSA-N 1 2 372.385 3.378 20 5 FGBDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599514 494540081 /nfs/dbraw/zinc/54/00/81/494540081.db2.gz CAHBAHBOAIDGMU-GJZGRUSLSA-N 1 2 371.437 3.301 20 5 FGBDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599514 494540084 /nfs/dbraw/zinc/54/00/84/494540084.db2.gz CAHBAHBOAIDGMU-GJZGRUSLSA-N 1 2 371.437 3.301 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599149 494540203 /nfs/dbraw/zinc/54/02/03/494540203.db2.gz BSZMGMURHNPWRO-UHFFFAOYSA-N 1 2 355.438 3.464 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599149 494540205 /nfs/dbraw/zinc/54/02/05/494540205.db2.gz BSZMGMURHNPWRO-UHFFFAOYSA-N 1 2 355.438 3.464 20 5 FGBDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000115635722 494579556 /nfs/dbraw/zinc/57/95/56/494579556.db2.gz GGMBRVOYBOGAJU-HNNXBMFYSA-N 1 2 364.352 3.297 20 5 FGBDLO CN(C)c1cccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000568611311 505736462 /nfs/dbraw/zinc/73/64/62/505736462.db2.gz LPHVIHSQMNMSOH-IBGZPJMESA-N 1 2 365.437 3.274 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092705153 494715723 /nfs/dbraw/zinc/71/57/23/494715723.db2.gz IQTVPIDYUPBMPH-AWEZNQCLSA-N 1 2 374.466 3.209 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092705153 494715727 /nfs/dbraw/zinc/71/57/27/494715727.db2.gz IQTVPIDYUPBMPH-AWEZNQCLSA-N 1 2 374.466 3.209 20 5 FGBDLO Cc1sc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000116642984 494830070 /nfs/dbraw/zinc/83/00/70/494830070.db2.gz KOBPINQMNQXUQM-UHFFFAOYSA-N 1 2 361.423 3.049 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093234224 494848168 /nfs/dbraw/zinc/84/81/68/494848168.db2.gz WYJDBXGIDAFGKB-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093234224 494848173 /nfs/dbraw/zinc/84/81/73/494848173.db2.gz WYJDBXGIDAFGKB-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000027382024 494866046 /nfs/dbraw/zinc/86/60/46/494866046.db2.gz HUNCXWQXIPAONI-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO CS[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000117212804 494900092 /nfs/dbraw/zinc/90/00/92/494900092.db2.gz GLHNRTLNHQDBJH-UONOGXRCSA-N 1 2 360.439 3.185 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842637 494926915 /nfs/dbraw/zinc/92/69/15/494926915.db2.gz KATXVNYLCQNCTK-UXBLZVDNSA-N 1 2 361.405 3.382 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842637 494926917 /nfs/dbraw/zinc/92/69/17/494926917.db2.gz KATXVNYLCQNCTK-UXBLZVDNSA-N 1 2 361.405 3.382 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000117693476 494945569 /nfs/dbraw/zinc/94/55/69/494945569.db2.gz XFBZXEAFLDIJNR-CYBMUJFWSA-N 1 2 370.434 3.348 20 5 FGBDLO CCCCn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000122273071 494950078 /nfs/dbraw/zinc/95/00/78/494950078.db2.gz RFPCXUZXTWNLPK-UHFFFAOYSA-N 1 2 368.397 3.338 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123149773 495088056 /nfs/dbraw/zinc/08/80/56/495088056.db2.gz PZXPZPVWFWDZRH-SWLSCSKDSA-N 1 2 360.439 3.237 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000128683036 495134794 /nfs/dbraw/zinc/13/47/94/495134794.db2.gz QLZSXVBGMVTGCB-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000112670173 495220630 /nfs/dbraw/zinc/22/06/30/495220630.db2.gz ULKQMYBQYPWTLH-UHFFFAOYSA-N 1 2 362.817 3.304 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000119740634 495230691 /nfs/dbraw/zinc/23/06/91/495230691.db2.gz XRBLDEPDMDZYAK-UHFFFAOYSA-N 1 2 354.410 3.296 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000129643457 495274445 /nfs/dbraw/zinc/27/44/45/495274445.db2.gz FZUHDKXROYJEFG-LBPRGKRZSA-N 1 2 363.414 3.314 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000129857871 495305523 /nfs/dbraw/zinc/30/55/23/495305523.db2.gz ZZJQVJOASIFIPO-UHFFFAOYSA-N 1 2 368.315 3.287 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1C ZINC000136823929 495403913 /nfs/dbraw/zinc/40/39/13/495403913.db2.gz APMHRYGHLHDMMM-UHFFFAOYSA-N 1 2 363.377 3.452 20 5 FGBDLO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000125583397 495466345 /nfs/dbraw/zinc/46/63/45/495466345.db2.gz OJOLSCHPXCSWGF-JTQLQIEISA-N 1 2 356.220 3.028 20 5 FGBDLO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000125583397 495466347 /nfs/dbraw/zinc/46/63/47/495466347.db2.gz OJOLSCHPXCSWGF-JTQLQIEISA-N 1 2 356.220 3.028 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131280004 495516132 /nfs/dbraw/zinc/51/61/32/495516132.db2.gz XRLBDZFAXYEZEV-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131280004 495516135 /nfs/dbraw/zinc/51/61/35/495516135.db2.gz XRLBDZFAXYEZEV-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCCc3[nH]c4ccccc4[nH+]3)cc2N1 ZINC000170639372 495542113 /nfs/dbraw/zinc/54/21/13/495542113.db2.gz ZCEIQCHMECQJHL-UHFFFAOYSA-N 1 2 365.393 3.401 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173586051 495599624 /nfs/dbraw/zinc/59/96/24/495599624.db2.gz ATKVQIWVGQBENZ-UHFFFAOYSA-N 1 2 368.315 3.241 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179658355 495679977 /nfs/dbraw/zinc/67/99/77/495679977.db2.gz MQHKOCYYYKUCOP-UHFFFAOYSA-N 1 2 356.407 3.285 20 5 FGBDLO O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000159699204 495790744 /nfs/dbraw/zinc/79/07/44/495790744.db2.gz XECGZMVHAWAKKV-HNNXBMFYSA-N 1 2 370.409 3.002 20 5 FGBDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000159822284 495817249 /nfs/dbraw/zinc/81/72/49/495817249.db2.gz GHQYUGMUYNBTRG-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000159822284 495817254 /nfs/dbraw/zinc/81/72/54/495817254.db2.gz GHQYUGMUYNBTRG-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2ccccc2C1 ZINC000171525199 495913933 /nfs/dbraw/zinc/91/39/33/495913933.db2.gz BYRTXGZWKJVYPJ-UHFFFAOYSA-N 1 2 362.389 3.369 20 5 FGBDLO C[C@H](C1CC1)n1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000186438482 495999008 /nfs/dbraw/zinc/99/90/08/495999008.db2.gz OEDAWAJBPMOZIG-GFCCVEGCSA-N 1 2 366.381 3.200 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC000180521887 496031288 /nfs/dbraw/zinc/03/12/88/496031288.db2.gz ADRGFZWNYTZOAK-FVQBIDKESA-N 1 2 354.410 3.431 20 5 FGBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152422030 496146106 /nfs/dbraw/zinc/14/61/06/496146106.db2.gz YFMVBTFZWFCWHC-CYBMUJFWSA-N 1 2 360.801 3.042 20 5 FGBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000172179835 496196616 /nfs/dbraw/zinc/19/66/16/496196616.db2.gz JQWLTPWSJAAYMB-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000172179835 496196624 /nfs/dbraw/zinc/19/66/24/496196624.db2.gz JQWLTPWSJAAYMB-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000172179841 496197277 /nfs/dbraw/zinc/19/72/77/496197277.db2.gz JQWLTPWSJAAYMB-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000172179841 496197280 /nfs/dbraw/zinc/19/72/80/496197280.db2.gz JQWLTPWSJAAYMB-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000175143653 496264993 /nfs/dbraw/zinc/26/49/93/496264993.db2.gz MOJDCGTYIYSLPK-LJQANCHMSA-N 1 2 368.437 3.050 20 5 FGBDLO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000175143653 496264998 /nfs/dbraw/zinc/26/49/98/496264998.db2.gz MOJDCGTYIYSLPK-LJQANCHMSA-N 1 2 368.437 3.050 20 5 FGBDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000187136246 496307908 /nfs/dbraw/zinc/30/79/08/496307908.db2.gz VECLNMAFDFOICZ-UHFFFAOYSA-N 1 2 368.842 3.332 20 5 FGBDLO COc1cc(CNc2[nH+]c3cccc(Cl)c3n2C)cc([N+](=O)[O-])c1O ZINC000184311615 496330407 /nfs/dbraw/zinc/33/04/07/496330407.db2.gz GTHPPAHUSXEUGJ-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO CC(C)(NC(=O)NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000175393523 496370847 /nfs/dbraw/zinc/37/08/47/496370847.db2.gz RERDZGGQLXINFG-UHFFFAOYSA-N 1 2 357.414 3.026 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153245332 496395507 /nfs/dbraw/zinc/39/55/07/496395507.db2.gz LNOFBNXMLBTLMF-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153245332 496395509 /nfs/dbraw/zinc/39/55/09/496395509.db2.gz LNOFBNXMLBTLMF-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1ccc(F)cc1 ZINC000153287482 496409033 /nfs/dbraw/zinc/40/90/33/496409033.db2.gz KNHZBRNFRMSOOM-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1ccc(F)cc1 ZINC000153287482 496409040 /nfs/dbraw/zinc/40/90/40/496409040.db2.gz KNHZBRNFRMSOOM-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000181516713 496428713 /nfs/dbraw/zinc/42/87/13/496428713.db2.gz BPAPNDDIUZYOPS-UHFFFAOYSA-N 1 2 366.464 3.095 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000181516713 496428716 /nfs/dbraw/zinc/42/87/16/496428716.db2.gz BPAPNDDIUZYOPS-UHFFFAOYSA-N 1 2 366.464 3.095 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184592798 496455716 /nfs/dbraw/zinc/45/57/16/496455716.db2.gz ORAJZAQZGIHLFD-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184624031 496468347 /nfs/dbraw/zinc/46/83/47/496468347.db2.gz ISKUOUDDKINQBT-HZMBPMFUSA-N 1 2 367.789 3.146 20 5 FGBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184643629 496476214 /nfs/dbraw/zinc/47/62/14/496476214.db2.gz OZMZDKXYLHQPRQ-AWEZNQCLSA-N 1 2 367.789 3.065 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000163251461 496487773 /nfs/dbraw/zinc/48/77/73/496487773.db2.gz HJNFZCAEZALUAG-UHFFFAOYSA-N 1 2 355.398 3.042 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000184702748 496499376 /nfs/dbraw/zinc/49/93/76/496499376.db2.gz URQIZSVKVWIEBR-CYBMUJFWSA-N 1 2 374.466 3.247 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000184702748 496499381 /nfs/dbraw/zinc/49/93/81/496499381.db2.gz URQIZSVKVWIEBR-CYBMUJFWSA-N 1 2 374.466 3.247 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181732541 496522301 /nfs/dbraw/zinc/52/23/01/496522301.db2.gz ZCRVSMAQJLZZPQ-SECBINFHSA-N 1 2 351.765 3.337 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000181779680 496541653 /nfs/dbraw/zinc/54/16/53/496541653.db2.gz RTVZSWIWTUJCIQ-OAHLLOKOSA-N 1 2 368.842 3.124 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178692557 496543663 /nfs/dbraw/zinc/54/36/63/496543663.db2.gz KOSGULMYEJHBQB-UONOGXRCSA-N 1 2 352.398 3.291 20 5 FGBDLO CC(=O)N1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000157828537 496565317 /nfs/dbraw/zinc/56/53/17/496565317.db2.gz WLHIPFIGFKSWTA-UHFFFAOYSA-N 1 2 368.437 3.027 20 5 FGBDLO Cc1cc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000153745263 496565399 /nfs/dbraw/zinc/56/53/99/496565399.db2.gz OPOBCPYIKPEOQY-UHFFFAOYSA-N 1 2 357.414 3.350 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000158025833 496611306 /nfs/dbraw/zinc/61/13/06/496611306.db2.gz KFALXXIHWUICDO-DYVFJYSZSA-N 1 2 365.393 3.063 20 5 FGBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000185046120 496635786 /nfs/dbraw/zinc/63/57/86/496635786.db2.gz DLIRJRRGRPDJTN-NSHDSACASA-N 1 2 354.819 3.384 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000185232893 496712860 /nfs/dbraw/zinc/71/28/60/496712860.db2.gz GBTJFZDXMBFEEZ-LBPRGKRZSA-N 1 2 356.357 3.110 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000191403731 496751353 /nfs/dbraw/zinc/75/13/53/496751353.db2.gz IBDSWQWNCJLVHU-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](Cc4cscn4)CC3)ccc2c1 ZINC000263876420 496752071 /nfs/dbraw/zinc/75/20/71/496752071.db2.gz JAFKAJZHTUDVSF-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](Cc4cscn4)CC3)ccc2c1 ZINC000263876420 496752075 /nfs/dbraw/zinc/75/20/75/496752075.db2.gz JAFKAJZHTUDVSF-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277432495 496770765 /nfs/dbraw/zinc/77/07/65/496770765.db2.gz MNBUHBAXEAWSLP-LLVKDONJSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273469450 496814890 /nfs/dbraw/zinc/81/48/90/496814890.db2.gz CUATYJNKLIELNG-JGVFFNPUSA-N 1 2 369.834 3.086 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000191572997 496817600 /nfs/dbraw/zinc/81/76/00/496817600.db2.gz NDWBFIYXDNWHMN-UHFFFAOYSA-N 1 2 356.386 3.282 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)ccc1[N+](=O)[O-] ZINC000195327616 496890240 /nfs/dbraw/zinc/89/02/40/496890240.db2.gz NZLXIBZUZKILDS-UHFFFAOYSA-N 1 2 366.377 3.470 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893685 496925428 /nfs/dbraw/zinc/92/54/28/496925428.db2.gz WETAHYXGPHZQAO-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893685 496925434 /nfs/dbraw/zinc/92/54/34/496925434.db2.gz WETAHYXGPHZQAO-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000278198253 497035520 /nfs/dbraw/zinc/03/55/20/497035520.db2.gz WGFYXZKJLTVGPB-MLGOLLRUSA-N 1 2 369.381 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000278198253 497035528 /nfs/dbraw/zinc/03/55/28/497035528.db2.gz WGFYXZKJLTVGPB-MLGOLLRUSA-N 1 2 369.381 3.052 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCS[C@H](C)CC1 ZINC000248999750 497148688 /nfs/dbraw/zinc/14/86/88/497148688.db2.gz IGUCNYKFVNZQTL-GHMZBOCLSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCS[C@H](C)CC1 ZINC000248999750 497148694 /nfs/dbraw/zinc/14/86/94/497148694.db2.gz IGUCNYKFVNZQTL-GHMZBOCLSA-N 1 2 357.863 3.403 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000278652422 497180110 /nfs/dbraw/zinc/18/01/10/497180110.db2.gz FZMJYJKONCSPRK-CYBMUJFWSA-N 1 2 352.398 3.243 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000574977594 505896329 /nfs/dbraw/zinc/89/63/29/505896329.db2.gz BRVIYRQGJANBHI-UHFFFAOYSA-N 1 2 366.377 3.497 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F)CCCC2 ZINC000279155629 497350649 /nfs/dbraw/zinc/35/06/49/497350649.db2.gz HREGWAKDSJIKPF-KRWDZBQOSA-N 1 2 372.400 3.324 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000271738786 497435072 /nfs/dbraw/zinc/43/50/72/497435072.db2.gz WSQFMHUROCBYBQ-UHFFFAOYSA-N 1 2 367.409 3.312 20 5 FGBDLO Cc1nn(C)c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)c1[N+](=O)[O-] ZINC000193698521 497450588 /nfs/dbraw/zinc/45/05/88/497450588.db2.gz QOFDJRNISUVOQK-UHFFFAOYSA-N 1 2 367.365 3.385 20 5 FGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698079 497512747 /nfs/dbraw/zinc/51/27/47/497512747.db2.gz GRWBAILWBMIWJH-PJIJBLCYSA-N 1 2 373.409 3.018 20 5 FGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698079 497512750 /nfs/dbraw/zinc/51/27/50/497512750.db2.gz GRWBAILWBMIWJH-PJIJBLCYSA-N 1 2 373.409 3.018 20 5 FGBDLO CCOCCOCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000276180455 497514728 /nfs/dbraw/zinc/51/47/28/497514728.db2.gz KQJVYNCGYQHLTF-UHFFFAOYSA-N 1 2 365.455 3.203 20 5 FGBDLO CCOCCOCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000276180455 497514734 /nfs/dbraw/zinc/51/47/34/497514734.db2.gz KQJVYNCGYQHLTF-UHFFFAOYSA-N 1 2 365.455 3.203 20 5 FGBDLO CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000272175647 497556897 /nfs/dbraw/zinc/55/68/97/497556897.db2.gz DWRKDVOEYHEJLQ-HOTGVXAUSA-N 1 2 372.425 3.104 20 5 FGBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272489129 497642785 /nfs/dbraw/zinc/64/27/85/497642785.db2.gz DLQXRSRDZYONJD-LJQANCHMSA-N 1 2 365.437 3.144 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272513843 497648703 /nfs/dbraw/zinc/64/87/03/497648703.db2.gz JQFBHEIEOMYNJL-LJQANCHMSA-N 1 2 366.421 3.224 20 5 FGBDLO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782127 497898141 /nfs/dbraw/zinc/89/81/41/497898141.db2.gz KMGBDPHLQABARO-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782127 497898148 /nfs/dbraw/zinc/89/81/48/497898148.db2.gz KMGBDPHLQABARO-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292209764 497924370 /nfs/dbraw/zinc/92/43/70/497924370.db2.gz PVOJFDMAXBWIEN-UHFFFAOYSA-N 1 2 357.197 3.260 20 5 FGBDLO CC(C)c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000288993633 497972052 /nfs/dbraw/zinc/97/20/52/497972052.db2.gz JENNNMHBNXWYEI-INIZCTEOSA-N 1 2 358.398 3.304 20 5 FGBDLO CC(C)c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000288993633 497972056 /nfs/dbraw/zinc/97/20/56/497972056.db2.gz JENNNMHBNXWYEI-INIZCTEOSA-N 1 2 358.398 3.304 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281133270 498031681 /nfs/dbraw/zinc/03/16/81/498031681.db2.gz NORSBPKODHSBEK-HNNXBMFYSA-N 1 2 359.386 3.447 20 5 FGBDLO COC(=O)c1ccc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000301289865 498040506 /nfs/dbraw/zinc/04/05/06/498040506.db2.gz PTPFDWHSSQTHDH-UHFFFAOYSA-N 1 2 368.349 3.352 20 5 FGBDLO COc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301341448 498064743 /nfs/dbraw/zinc/06/47/43/498064743.db2.gz GCLWKOJTGHWKTA-KBPBESRZSA-N 1 2 372.425 3.224 20 5 FGBDLO CC(=O)N(c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1)C1CC1 ZINC000285431477 498083630 /nfs/dbraw/zinc/08/36/30/498083630.db2.gz WSIHSJVIXZRZAQ-UHFFFAOYSA-N 1 2 374.466 3.241 20 5 FGBDLO CC(=O)N(c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1)C1CC1 ZINC000285431477 498083624 /nfs/dbraw/zinc/08/36/24/498083624.db2.gz WSIHSJVIXZRZAQ-UHFFFAOYSA-N 1 2 374.466 3.241 20 5 FGBDLO C[C@@H]1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCO1 ZINC000351092039 498177339 /nfs/dbraw/zinc/17/73/39/498177339.db2.gz DNGBBXRCTGLKMM-NEPJUHHUSA-N 1 2 355.354 3.113 20 5 FGBDLO COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1[nH+]ccn1C ZINC000301659647 498209542 /nfs/dbraw/zinc/20/95/42/498209542.db2.gz TWGSLQRSPRYZNR-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942693 498222184 /nfs/dbraw/zinc/22/21/84/498222184.db2.gz GNTDIMUHBXMRJX-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942693 498222190 /nfs/dbraw/zinc/22/21/90/498222190.db2.gz GNTDIMUHBXMRJX-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)oc1C ZINC000297040255 498300001 /nfs/dbraw/zinc/30/00/01/498300001.db2.gz HUYDAQBLVAGHCU-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000569772747 506012507 /nfs/dbraw/zinc/01/25/07/506012507.db2.gz JHLDNSLBNYRMSZ-UHFFFAOYSA-N 1 2 361.361 3.480 20 5 FGBDLO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361005172 498332665 /nfs/dbraw/zinc/33/26/65/498332665.db2.gz SDXYKDJLEDIGJH-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO CC(C)Oc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000575881012 506025185 /nfs/dbraw/zinc/02/51/85/506025185.db2.gz DIEBGHOPSFCHSD-UHFFFAOYSA-N 1 2 371.441 3.196 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000365519667 498508604 /nfs/dbraw/zinc/50/86/04/498508604.db2.gz DPWBAFTTWSTPLT-CYBMUJFWSA-N 1 2 374.416 3.151 20 5 FGBDLO Cn1c2ccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000291017076 498758950 /nfs/dbraw/zinc/75/89/50/498758950.db2.gz WWZBOAPMEXOXEF-UHFFFAOYSA-N 1 2 368.397 3.017 20 5 FGBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283070594 498767737 /nfs/dbraw/zinc/76/77/37/498767737.db2.gz KCCSPXXPSNIEHO-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283070594 498767745 /nfs/dbraw/zinc/76/77/45/498767745.db2.gz KCCSPXXPSNIEHO-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298431600 498769384 /nfs/dbraw/zinc/76/93/84/498769384.db2.gz YKSOBRNCLZVUKR-GFCCVEGCSA-N 1 2 369.849 3.466 20 5 FGBDLO CCOC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298431604 498770078 /nfs/dbraw/zinc/77/00/78/498770078.db2.gz YKSOBRNCLZVUKR-LBPRGKRZSA-N 1 2 369.849 3.466 20 5 FGBDLO Cc1cc(N2CCC[C@H]2c2cc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000287593791 498807517 /nfs/dbraw/zinc/80/75/17/498807517.db2.gz FFUYNAZEUIAEFR-INIZCTEOSA-N 1 2 350.382 3.425 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(OC[C@H]4CCOC4)CC3)c2c1 ZINC000576208325 506102149 /nfs/dbraw/zinc/10/21/49/506102149.db2.gz IZONTDDBIHCCJT-AWEZNQCLSA-N 1 2 357.410 3.165 20 5 FGBDLO Cc1nc(CO[C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cs1 ZINC000366915821 499114788 /nfs/dbraw/zinc/11/47/88/499114788.db2.gz KZYKLBMKWOVHLY-HNNXBMFYSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1nc(CO[C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cs1 ZINC000366915821 499114790 /nfs/dbraw/zinc/11/47/90/499114790.db2.gz KZYKLBMKWOVHLY-HNNXBMFYSA-N 1 2 351.403 3.290 20 5 FGBDLO COC(=O)c1cc(C)nc(N2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000367836869 499236951 /nfs/dbraw/zinc/23/69/51/499236951.db2.gz SJRNISPYDQYITC-UHFFFAOYSA-N 1 2 370.409 3.172 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000368124870 499267030 /nfs/dbraw/zinc/26/70/30/499267030.db2.gz SMQRYXQFAYXGQR-GFCCVEGCSA-N 1 2 362.773 3.328 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368403837 499292889 /nfs/dbraw/zinc/29/28/89/499292889.db2.gz STMMQGHUYMWICB-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019219 499357626 /nfs/dbraw/zinc/35/76/26/499357626.db2.gz OLWVVHJCWVXDFK-ZFWWWQNUSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019219 499357627 /nfs/dbraw/zinc/35/76/27/499357627.db2.gz OLWVVHJCWVXDFK-ZFWWWQNUSA-N 1 2 368.397 3.239 20 5 FGBDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C1CCC1 ZINC000372184200 499406480 /nfs/dbraw/zinc/40/64/80/499406480.db2.gz CLAGVXHMUCSCEI-ZDUSSCGKSA-N 1 2 371.359 3.104 20 5 FGBDLO O=C(N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C1CCC1 ZINC000372184200 499406482 /nfs/dbraw/zinc/40/64/82/499406482.db2.gz CLAGVXHMUCSCEI-ZDUSSCGKSA-N 1 2 371.359 3.104 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000373159474 499454404 /nfs/dbraw/zinc/45/44/04/499454404.db2.gz QITJWHXIFLURDB-UHFFFAOYSA-N 1 2 350.378 3.234 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCn2cc[nH+]c21 ZINC000373270599 499460694 /nfs/dbraw/zinc/46/06/94/499460694.db2.gz MJQKORFXAXEQBU-CYBMUJFWSA-N 1 2 368.315 3.004 20 5 FGBDLO Cc1ccc(C[NH2+]Cc2nnc(-c3ccncc3F)s2)cc1[N+](=O)[O-] ZINC000373472024 499471913 /nfs/dbraw/zinc/47/19/13/499471913.db2.gz DBEDMANVQBVPCW-UHFFFAOYSA-N 1 2 359.386 3.246 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)c1 ZINC000373584677 499478327 /nfs/dbraw/zinc/47/83/27/499478327.db2.gz LRUDXJPQFSGRNL-AWEZNQCLSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)c1 ZINC000373584677 499478328 /nfs/dbraw/zinc/47/83/28/499478328.db2.gz LRUDXJPQFSGRNL-AWEZNQCLSA-N 1 2 370.438 3.147 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000375243426 499498686 /nfs/dbraw/zinc/49/86/86/499498686.db2.gz XYRAWMIYIAITTN-KRWDZBQOSA-N 1 2 358.394 3.051 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](O)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000375243426 499498688 /nfs/dbraw/zinc/49/86/88/499498688.db2.gz XYRAWMIYIAITTN-KRWDZBQOSA-N 1 2 358.394 3.051 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000378444620 499517741 /nfs/dbraw/zinc/51/77/41/499517741.db2.gz XPQCZSFUHVDKPD-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000378444620 499517742 /nfs/dbraw/zinc/51/77/42/499517742.db2.gz XPQCZSFUHVDKPD-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378464952 499520427 /nfs/dbraw/zinc/52/04/27/499520427.db2.gz FGSUSOMIEKUIAT-CYBMUJFWSA-N 1 2 374.466 3.459 20 5 FGBDLO CCC(=O)c1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000375667421 499543146 /nfs/dbraw/zinc/54/31/46/499543146.db2.gz XZRKIKLQMLBETQ-UHFFFAOYSA-N 1 2 351.366 3.380 20 5 FGBDLO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000410151959 499645469 /nfs/dbraw/zinc/64/54/69/499645469.db2.gz UKLZDCPXPYIISK-UHFFFAOYSA-N 1 2 352.350 3.101 20 5 FGBDLO COc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1[N+](=O)[O-] ZINC000377175563 499668028 /nfs/dbraw/zinc/66/80/28/499668028.db2.gz LGAIMMMGEBCRHI-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@]2(CCOC2)O1 ZINC000573270562 506158213 /nfs/dbraw/zinc/15/82/13/506158213.db2.gz QQQWLLJWLVUBKF-HKUYNNGSSA-N 1 2 364.442 3.152 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@]2(CCOC2)O1 ZINC000573270562 506158216 /nfs/dbraw/zinc/15/82/16/506158216.db2.gz QQQWLLJWLVUBKF-HKUYNNGSSA-N 1 2 364.442 3.152 20 5 FGBDLO Cc1cc(C=C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000378179886 499762415 /nfs/dbraw/zinc/76/24/15/499762415.db2.gz MZVVPWPQHBNFJX-UHFFFAOYSA-N 1 2 370.409 3.033 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000411772229 499788906 /nfs/dbraw/zinc/78/89/06/499788906.db2.gz SORZEDPRWPYLKZ-HNNXBMFYSA-N 1 2 358.398 3.473 20 5 FGBDLO Cc1ccc2ncc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2c1 ZINC000411888554 499800584 /nfs/dbraw/zinc/80/05/84/499800584.db2.gz ZRIVHOJJVMNIBX-UHFFFAOYSA-N 1 2 363.421 3.169 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000411930913 499804201 /nfs/dbraw/zinc/80/42/01/499804201.db2.gz ADBQSFSIIGCIIL-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000411930913 499804202 /nfs/dbraw/zinc/80/42/02/499804202.db2.gz ADBQSFSIIGCIIL-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO O=C([C@@H]1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000413263772 499934308 /nfs/dbraw/zinc/93/43/08/499934308.db2.gz HFNNYUCJVMTKIX-CABCVRRESA-N 1 2 354.410 3.346 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)CCCC2 ZINC000417348824 500046207 /nfs/dbraw/zinc/04/62/07/500046207.db2.gz ZHINOQDPUAAFKO-GOSISDBHSA-N 1 2 364.409 3.128 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421456377 500053566 /nfs/dbraw/zinc/05/35/66/500053566.db2.gz IGTZJOVQCCDFHG-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429575497 500106273 /nfs/dbraw/zinc/10/62/73/500106273.db2.gz VHROGJRVHGQMRC-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429575497 500106277 /nfs/dbraw/zinc/10/62/77/500106277.db2.gz VHROGJRVHGQMRC-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000425445709 500108803 /nfs/dbraw/zinc/10/88/03/500108803.db2.gz NCPZPSDISRYUDX-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000425445709 500108808 /nfs/dbraw/zinc/10/88/08/500108808.db2.gz NCPZPSDISRYUDX-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO COc1cc(OCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000421843249 500162471 /nfs/dbraw/zinc/16/24/71/500162471.db2.gz PYEDOPIQLJHERN-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nnc2ccccn21 ZINC000430213973 500210211 /nfs/dbraw/zinc/21/02/11/500210211.db2.gz WLUJAKHLJYBZSG-OAHLLOKOSA-N 1 2 355.398 3.277 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000430217140 500210657 /nfs/dbraw/zinc/21/06/57/500210657.db2.gz HDKPIOOATNWNSY-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000430217140 500210659 /nfs/dbraw/zinc/21/06/59/500210659.db2.gz HDKPIOOATNWNSY-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430262870 500217768 /nfs/dbraw/zinc/21/77/68/500217768.db2.gz ZBGWIXMGPJPBBO-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430262870 500217772 /nfs/dbraw/zinc/21/77/72/500217772.db2.gz ZBGWIXMGPJPBBO-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428805078 500559592 /nfs/dbraw/zinc/55/95/92/500559592.db2.gz IWTFARXJVQCUMN-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428805078 500559593 /nfs/dbraw/zinc/55/95/93/500559593.db2.gz IWTFARXJVQCUMN-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436986264 500586804 /nfs/dbraw/zinc/58/68/04/500586804.db2.gz QUXUYOORXZJFBV-UHFFFAOYSA-N 1 2 370.409 3.006 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437577153 500662691 /nfs/dbraw/zinc/66/26/91/500662691.db2.gz LLTRQCCJWRUUFJ-DYVFJYSZSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437577153 500662692 /nfs/dbraw/zinc/66/26/92/500662692.db2.gz LLTRQCCJWRUUFJ-DYVFJYSZSA-N 1 2 355.394 3.377 20 5 FGBDLO Cc1cc(NCCc2c[nH]c3ncccc23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000443878944 500772602 /nfs/dbraw/zinc/77/26/02/500772602.db2.gz CKOXHSCFPOKIHL-UHFFFAOYSA-N 1 2 374.404 3.313 20 5 FGBDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444718977 500886635 /nfs/dbraw/zinc/88/66/35/500886635.db2.gz XMXIIWDERNXRDB-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444718977 500886637 /nfs/dbraw/zinc/88/66/37/500886637.db2.gz XMXIIWDERNXRDB-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450355542 501098961 /nfs/dbraw/zinc/09/89/61/501098961.db2.gz CWYHIAOUDRRGTN-ZDUSSCGKSA-N 1 2 361.833 3.230 20 5 FGBDLO CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000449974222 501141916 /nfs/dbraw/zinc/14/19/16/501141916.db2.gz MIUITIYDMUSGTI-IAGOWNOFSA-N 1 2 372.425 3.056 20 5 FGBDLO CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000449974224 501142047 /nfs/dbraw/zinc/14/20/47/501142047.db2.gz MIUITIYDMUSGTI-SJORKVTESA-N 1 2 372.425 3.056 20 5 FGBDLO C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000450523798 501143831 /nfs/dbraw/zinc/14/38/31/501143831.db2.gz JTXAUBGXZAMIDA-IFXJQAMLSA-N 1 2 354.410 3.433 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000450074772 501173118 /nfs/dbraw/zinc/17/31/18/501173118.db2.gz GLNSMZPXEYJMFP-WBVHZDCISA-N 1 2 372.450 3.281 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000450726680 501194891 /nfs/dbraw/zinc/19/48/91/501194891.db2.gz VXYUHYGVIQBJNE-UHFFFAOYSA-N 1 2 365.231 3.231 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949945 506240528 /nfs/dbraw/zinc/24/05/28/506240528.db2.gz XQEAUGYGJYULAX-ZDUSSCGKSA-N 1 2 374.466 3.428 20 5 FGBDLO CCc1cc(N[C@@H](C)c2[nH+]ccn2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450822973 501213776 /nfs/dbraw/zinc/21/37/76/501213776.db2.gz BQEIYJHAUGMNAM-ZDUSSCGKSA-N 1 2 366.425 3.426 20 5 FGBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453604113 501359414 /nfs/dbraw/zinc/35/94/14/501359414.db2.gz BQYDYBCNCYBGTQ-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453604113 501359417 /nfs/dbraw/zinc/35/94/17/501359417.db2.gz BQYDYBCNCYBGTQ-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451861828 501387798 /nfs/dbraw/zinc/38/77/98/501387798.db2.gz VBNABDAJHQEQNY-LJQANCHMSA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451861828 501387800 /nfs/dbraw/zinc/38/78/00/501387800.db2.gz VBNABDAJHQEQNY-LJQANCHMSA-N 1 2 367.405 3.304 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456345039 501504809 /nfs/dbraw/zinc/50/48/09/501504809.db2.gz GKQRIRNLGIXXED-SECBINFHSA-N 1 2 367.203 3.065 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359627 501508888 /nfs/dbraw/zinc/50/88/88/501508888.db2.gz CWEMDIURXKFFOM-CMPLNLGQSA-N 1 2 364.789 3.036 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000456411999 501520952 /nfs/dbraw/zinc/52/09/52/501520952.db2.gz HBNQWOXVTWVBDP-QPUJVOFHSA-N 1 2 354.288 3.246 20 5 FGBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452848665 501573443 /nfs/dbraw/zinc/57/34/43/501573443.db2.gz KXQRMNRFPRGBDR-OAHLLOKOSA-N 1 2 350.378 3.262 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454547587 501574842 /nfs/dbraw/zinc/57/48/42/501574842.db2.gz IHCVPANHXGTPLI-XJKSGUPXSA-N 1 2 357.414 3.119 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2n1[C@@H](C)CO ZINC000456741378 501590567 /nfs/dbraw/zinc/59/05/67/501590567.db2.gz ZEHOIMJVTDEPHY-VIFPVBQESA-N 1 2 360.395 3.120 20 5 FGBDLO C[C@]12CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456981500 501629412 /nfs/dbraw/zinc/62/94/12/501629412.db2.gz MKRONUVZWAQQLM-WJCADGGCSA-N 1 2 366.421 3.289 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000460332473 501794552 /nfs/dbraw/zinc/79/45/52/501794552.db2.gz ZXPGCNGVNYTNQI-MRXNPFEDSA-N 1 2 366.421 3.436 20 5 FGBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000602733705 506278809 /nfs/dbraw/zinc/27/88/09/506278809.db2.gz XRSBIHCQPWMCBL-UHFFFAOYSA-N 1 2 359.451 3.359 20 5 FGBDLO Cc1csc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599022754 506282161 /nfs/dbraw/zinc/28/21/61/506282161.db2.gz PXRPQICXUZDXFA-UHFFFAOYSA-N 1 2 355.423 3.235 20 5 FGBDLO CC(C)N(C)C(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020757 506282227 /nfs/dbraw/zinc/28/22/27/506282227.db2.gz CEQMRTAYGYJBAR-UHFFFAOYSA-N 1 2 356.426 3.226 20 5 FGBDLO CC[C@H](C)c1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000478294713 501934997 /nfs/dbraw/zinc/93/49/97/501934997.db2.gz WVLUIUWPIURLAI-LBPRGKRZSA-N 1 2 366.381 3.336 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000474970486 502007266 /nfs/dbraw/zinc/00/72/66/502007266.db2.gz QLTYKFYPBHNNQJ-SNVBAGLBSA-N 1 2 374.347 3.409 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844820 502116183 /nfs/dbraw/zinc/11/61/83/502116183.db2.gz CGILWUOAXAUKSY-BEFAXECRSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844820 502116187 /nfs/dbraw/zinc/11/61/87/502116187.db2.gz CGILWUOAXAUKSY-BEFAXECRSA-N 1 2 372.421 3.444 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468837340 502200450 /nfs/dbraw/zinc/20/04/50/502200450.db2.gz FNJCVXPEDWQENZ-KRWDZBQOSA-N 1 2 359.813 3.139 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468837340 502200452 /nfs/dbraw/zinc/20/04/52/502200452.db2.gz FNJCVXPEDWQENZ-KRWDZBQOSA-N 1 2 359.813 3.139 20 5 FGBDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482974490 502233859 /nfs/dbraw/zinc/23/38/59/502233859.db2.gz APEGTYQLAPUVIA-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482974490 502233865 /nfs/dbraw/zinc/23/38/65/502233865.db2.gz APEGTYQLAPUVIA-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000599063616 506304467 /nfs/dbraw/zinc/30/44/67/506304467.db2.gz FDPDYFNOMHRBLX-CQSZACIVSA-N 1 2 364.409 3.453 20 5 FGBDLO Cc1cc(N[C@@H]2CCOC3(CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000486908456 502300047 /nfs/dbraw/zinc/30/00/47/502300047.db2.gz SQJSTCCUJTXQHA-OAHLLOKOSA-N 1 2 354.410 3.296 20 5 FGBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000602826708 506315843 /nfs/dbraw/zinc/31/58/43/506315843.db2.gz IWCKVCMEUVLOLN-QMMMGPOBSA-N 1 2 357.183 3.081 20 5 FGBDLO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000480693740 502644768 /nfs/dbraw/zinc/64/47/68/502644768.db2.gz NBKIIYDTVTYWID-KRWDZBQOSA-N 1 2 366.425 3.058 20 5 FGBDLO CC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000480693740 502644773 /nfs/dbraw/zinc/64/47/73/502644773.db2.gz NBKIIYDTVTYWID-KRWDZBQOSA-N 1 2 366.425 3.058 20 5 FGBDLO CCN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480693740 502644775 /nfs/dbraw/zinc/64/47/75/502644775.db2.gz NBKIIYDTVTYWID-KRWDZBQOSA-N 1 2 366.425 3.058 20 5 FGBDLO CC(C)c1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000473630201 502660068 /nfs/dbraw/zinc/66/00/68/502660068.db2.gz QQDJTDJYHVZQRF-UHFFFAOYSA-N 1 2 370.331 3.407 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000463083703 502688136 /nfs/dbraw/zinc/68/81/36/502688136.db2.gz HLIXXEJXVROEDH-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000477322983 502742288 /nfs/dbraw/zinc/74/22/88/502742288.db2.gz OLSYYHTZTBLDKD-UHFFFAOYSA-N 1 2 357.410 3.155 20 5 FGBDLO CCc1cc(NC[C@H](CCO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467011428 502757819 /nfs/dbraw/zinc/75/78/19/502757819.db2.gz XNQGNJVCGRUVCC-OAHLLOKOSA-N 1 2 372.469 3.493 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000467119907 502792090 /nfs/dbraw/zinc/79/20/90/502792090.db2.gz UQXMCMHSWBUWJH-OAHLLOKOSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000467119907 502792098 /nfs/dbraw/zinc/79/20/98/502792098.db2.gz UQXMCMHSWBUWJH-OAHLLOKOSA-N 1 2 373.409 3.418 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)nc2c1 ZINC000463425718 502795957 /nfs/dbraw/zinc/79/59/57/502795957.db2.gz LGOOHYPBEWCWRN-UHFFFAOYSA-N 1 2 350.378 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)nc2c1 ZINC000463425718 502795961 /nfs/dbraw/zinc/79/59/61/502795961.db2.gz LGOOHYPBEWCWRN-UHFFFAOYSA-N 1 2 350.378 3.224 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000509122406 502827033 /nfs/dbraw/zinc/82/70/33/502827033.db2.gz CTLAQEZDGBVPDG-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO O=C(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCCC1 ZINC000509277855 502866767 /nfs/dbraw/zinc/86/67/67/502866767.db2.gz WLGDQIBLFZCVNG-UHFFFAOYSA-N 1 2 367.396 3.098 20 5 FGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505462394 502909167 /nfs/dbraw/zinc/90/91/67/502909167.db2.gz XGTZWCVWPMSQMW-INIZCTEOSA-N 1 2 368.368 3.002 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000497648132 503006502 /nfs/dbraw/zinc/00/65/02/503006502.db2.gz BNHVICAWVBBYKU-KRWDZBQOSA-N 1 2 372.400 3.242 20 5 FGBDLO Cc1sc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000497872222 503058855 /nfs/dbraw/zinc/05/88/55/503058855.db2.gz BZRXMZTVXNIIIM-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1nnsc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000593036298 506350867 /nfs/dbraw/zinc/35/08/67/506350867.db2.gz XTSNZTXGELPQNC-SHTZXODSSA-N 1 2 362.455 3.060 20 5 FGBDLO Cc1nnsc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000593036298 506350873 /nfs/dbraw/zinc/35/08/73/506350873.db2.gz XTSNZTXGELPQNC-SHTZXODSSA-N 1 2 362.455 3.060 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000510366154 503100009 /nfs/dbraw/zinc/10/00/09/503100009.db2.gz DUMXVSCNIFUXQH-KRWDZBQOSA-N 1 2 369.425 3.154 20 5 FGBDLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000588844562 506354691 /nfs/dbraw/zinc/35/46/91/506354691.db2.gz PPSMCFNYJMXUAV-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000498117387 503109795 /nfs/dbraw/zinc/10/97/95/503109795.db2.gz NVUIMPRADHIKGE-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO Cc1noc([C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000498363369 503168602 /nfs/dbraw/zinc/16/86/02/503168602.db2.gz JVMPYKWHIVGIKS-HNNXBMFYSA-N 1 2 366.805 3.197 20 5 FGBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccs2)no1 ZINC000511075087 503247887 /nfs/dbraw/zinc/24/78/87/503247887.db2.gz XMGCVGJSGIPWOO-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccs2)no1 ZINC000511075087 503247893 /nfs/dbraw/zinc/24/78/93/503247893.db2.gz XMGCVGJSGIPWOO-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000502893768 503301240 /nfs/dbraw/zinc/30/12/40/503301240.db2.gz IUXLDMCLGKOTBM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000502893768 503301244 /nfs/dbraw/zinc/30/12/44/503301244.db2.gz IUXLDMCLGKOTBM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO COC(=O)c1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000515478374 503346709 /nfs/dbraw/zinc/34/67/09/503346709.db2.gz MYCUVQNVUXPGPG-HDJSIYSDSA-N 1 2 371.397 3.007 20 5 FGBDLO Cc1nc(C2([NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])CCCCCC2)no1 ZINC000507693086 503349121 /nfs/dbraw/zinc/34/91/21/503349121.db2.gz OXTQCYINWSBNCX-UHFFFAOYSA-N 1 2 373.413 3.064 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503256229 503378602 /nfs/dbraw/zinc/37/86/02/503378602.db2.gz KGLCAODJUIFGFK-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503256229 503378604 /nfs/dbraw/zinc/37/86/04/503378604.db2.gz KGLCAODJUIFGFK-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000492977473 503398555 /nfs/dbraw/zinc/39/85/55/503398555.db2.gz TUDUNHIRPOVKKP-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO Cc1cnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000511891098 503409014 /nfs/dbraw/zinc/40/90/14/503409014.db2.gz OBWBOIPSDLLJDN-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO CCn1cc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)C)cn1 ZINC000593079113 506380030 /nfs/dbraw/zinc/38/00/30/506380030.db2.gz GZCHIBZGDGLWTR-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)C)cn1 ZINC000593079113 506380037 /nfs/dbraw/zinc/38/00/37/506380037.db2.gz GZCHIBZGDGLWTR-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)c1)O[C@H](C)C2 ZINC000536669379 503670178 /nfs/dbraw/zinc/67/01/78/503670178.db2.gz ACYXZDJBVOPFML-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)c1)O[C@H](C)C2 ZINC000536669379 503670185 /nfs/dbraw/zinc/67/01/85/503670185.db2.gz ACYXZDJBVOPFML-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533238410 503773278 /nfs/dbraw/zinc/77/32/78/503773278.db2.gz PQJMRIGXVOEOFV-UHFFFAOYSA-N 1 2 368.393 3.145 20 5 FGBDLO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000533238410 503773287 /nfs/dbraw/zinc/77/32/87/503773287.db2.gz PQJMRIGXVOEOFV-UHFFFAOYSA-N 1 2 368.393 3.145 20 5 FGBDLO COCc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000540482395 503785462 /nfs/dbraw/zinc/78/54/62/503785462.db2.gz PFDQBOQUFSJLMJ-UHFFFAOYSA-N 1 2 363.439 3.241 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533289307 503794230 /nfs/dbraw/zinc/79/42/30/503794230.db2.gz DDHGNLSLFLSCQD-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533289307 503794233 /nfs/dbraw/zinc/79/42/33/503794233.db2.gz DDHGNLSLFLSCQD-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc2n1C ZINC000543642277 503838226 /nfs/dbraw/zinc/83/82/26/503838226.db2.gz PUIGAMRKUVIINL-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO CCn1cc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000533440127 503845511 /nfs/dbraw/zinc/84/55/11/503845511.db2.gz QGFPTZYNNLPOND-LBPRGKRZSA-N 1 2 356.386 3.054 20 5 FGBDLO CCn1cc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000533440127 503845521 /nfs/dbraw/zinc/84/55/21/503845521.db2.gz QGFPTZYNNLPOND-LBPRGKRZSA-N 1 2 356.386 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1noc2ccccc12 ZINC000518022763 503892008 /nfs/dbraw/zinc/89/20/08/503892008.db2.gz KUSNDTNAQKHXSP-UHFFFAOYSA-N 1 2 368.393 3.180 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cn21 ZINC000518406637 503975900 /nfs/dbraw/zinc/97/59/00/503975900.db2.gz PYTXSUXQSBGZRV-UHFFFAOYSA-N 1 2 350.334 3.227 20 5 FGBDLO C[N@H+](CCc1ccccc1O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541393214 504116307 /nfs/dbraw/zinc/11/63/07/504116307.db2.gz LXMBKCSCKIRHAS-UHFFFAOYSA-N 1 2 363.801 3.067 20 5 FGBDLO C[N@@H+](CCc1ccccc1O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541393214 504116312 /nfs/dbraw/zinc/11/63/12/504116312.db2.gz LXMBKCSCKIRHAS-UHFFFAOYSA-N 1 2 363.801 3.067 20 5 FGBDLO Cc1cccn2cc(CC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)[nH+]c12 ZINC000519042882 504126027 /nfs/dbraw/zinc/12/60/27/504126027.db2.gz QECPEYRUOFAZNK-ZDUSSCGKSA-N 1 2 350.378 3.071 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510474 504160184 /nfs/dbraw/zinc/16/01/84/504160184.db2.gz SNEMNVYYBQZJAS-HUUCEWRRSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510474 504160189 /nfs/dbraw/zinc/16/01/89/504160189.db2.gz SNEMNVYYBQZJAS-HUUCEWRRSA-N 1 2 365.433 3.319 20 5 FGBDLO COc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000544644199 504202541 /nfs/dbraw/zinc/20/25/41/504202541.db2.gz GWTUNJOIBOHKLG-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000541740679 504239045 /nfs/dbraw/zinc/23/90/45/504239045.db2.gz OKTQKGOXJCUDOI-LJQANCHMSA-N 1 2 350.378 3.273 20 5 FGBDLO COc1cccc(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000548117420 504336873 /nfs/dbraw/zinc/33/68/73/504336873.db2.gz XHHWSHGRJXJBIU-SFHVURJKSA-N 1 2 371.437 3.397 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248552 504381983 /nfs/dbraw/zinc/38/19/83/504381983.db2.gz SIVLWNFANQCJOS-MRXNPFEDSA-N 1 2 367.449 3.390 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248552 504381988 /nfs/dbraw/zinc/38/19/88/504381988.db2.gz SIVLWNFANQCJOS-MRXNPFEDSA-N 1 2 367.449 3.390 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000548585126 504486337 /nfs/dbraw/zinc/48/63/37/504486337.db2.gz BJCULZHPSXBLIF-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO COc1ccc(C2([NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000539261417 504514976 /nfs/dbraw/zinc/51/49/76/504514976.db2.gz PTUCSDIGGQERBI-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393216 504634856 /nfs/dbraw/zinc/63/48/56/504634856.db2.gz OHKOKTISAJNLEI-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)C(F)(F)F ZINC000545931367 504643845 /nfs/dbraw/zinc/64/38/45/504643845.db2.gz CKLGZMCYQOKZPI-HNNXBMFYSA-N 1 2 373.331 3.261 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000565270474 504838906 /nfs/dbraw/zinc/83/89/06/504838906.db2.gz DFDCGQZXROCFRZ-JZUUQJBKSA-N 1 2 358.419 3.116 20 5 FGBDLO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000549717649 504880037 /nfs/dbraw/zinc/88/00/37/504880037.db2.gz INAWINAAYWRTHS-FUHWJXTLSA-N 1 2 361.829 3.489 20 5 FGBDLO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000556508387 504892371 /nfs/dbraw/zinc/89/23/71/504892371.db2.gz NDASZGKGVCJZQF-UHFFFAOYSA-N 1 2 371.359 3.148 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000549793939 504899603 /nfs/dbraw/zinc/89/96/03/504899603.db2.gz YXMDUIGWPLQHDJ-UHFFFAOYSA-N 1 2 365.393 3.100 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cs1 ZINC000553636241 504969394 /nfs/dbraw/zinc/96/93/94/504969394.db2.gz QDXRGYUTQMFDFU-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccc(F)cc3)co2)cc1 ZINC000554636227 505229096 /nfs/dbraw/zinc/22/90/96/505229096.db2.gz RXDUPYXKJTUYNU-QGZVFWFLSA-N 1 2 357.341 3.212 20 5 FGBDLO CC(C)c1nnc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000561315414 505312965 /nfs/dbraw/zinc/31/29/65/505312965.db2.gz ZPDNXXDHVAVFIN-HNNXBMFYSA-N 1 2 372.454 3.182 20 5 FGBDLO CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000555303793 505403094 /nfs/dbraw/zinc/40/30/94/505403094.db2.gz WSKQUEGWLHHLOY-GFCCVEGCSA-N 1 2 356.304 3.464 20 5 FGBDLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000564548741 505449938 /nfs/dbraw/zinc/44/99/38/505449938.db2.gz SLDBUCFOKDWPAG-UHFFFAOYSA-N 1 2 354.366 3.025 20 5 FGBDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000564548741 505449941 /nfs/dbraw/zinc/44/99/41/505449941.db2.gz SLDBUCFOKDWPAG-UHFFFAOYSA-N 1 2 354.366 3.025 20 5 FGBDLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000558691524 505465369 /nfs/dbraw/zinc/46/53/69/505465369.db2.gz JNJFOOBJHTYBNL-CQSZACIVSA-N 1 2 350.378 3.200 20 5 FGBDLO Cc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000555742118 505505646 /nfs/dbraw/zinc/50/56/46/505505646.db2.gz KFYNOQPKGSNTLO-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO CCC(=O)c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c([N+](=O)[O-])c1 ZINC000596514326 506441997 /nfs/dbraw/zinc/44/19/97/506441997.db2.gz ITZVOPROCWUBHW-RTBURBONSA-N 1 2 373.453 3.243 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589640 506476576 /nfs/dbraw/zinc/47/65/76/506476576.db2.gz ALNOYAPAUDLLAA-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589640 506476579 /nfs/dbraw/zinc/47/65/79/506476579.db2.gz ALNOYAPAUDLLAA-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO COCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599506737 506477147 /nfs/dbraw/zinc/47/71/47/506477147.db2.gz GRXPSELNFDGBFA-GFCCVEGCSA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1cc[nH+]cc1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000596603946 506484259 /nfs/dbraw/zinc/48/42/59/506484259.db2.gz ZUHSYVYBLHFUTI-UHFFFAOYSA-N 1 2 351.366 3.297 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn3cc(Cl)ccc3[nH+]1)CCO2 ZINC000589305654 506511387 /nfs/dbraw/zinc/51/13/87/506511387.db2.gz VAYWOOLGURTKSL-UHFFFAOYSA-N 1 2 358.785 3.291 20 5 FGBDLO O=c1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000599640905 506546990 /nfs/dbraw/zinc/54/69/90/506546990.db2.gz JBXVXMSXAXCSIO-MRXNPFEDSA-N 1 2 367.365 3.083 20 5 FGBDLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000599640905 506546992 /nfs/dbraw/zinc/54/69/92/506546992.db2.gz JBXVXMSXAXCSIO-MRXNPFEDSA-N 1 2 367.365 3.083 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000589512164 506574350 /nfs/dbraw/zinc/57/43/50/506574350.db2.gz UXAKSOUAUYURFW-KRWDZBQOSA-N 1 2 374.393 3.458 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000589512164 506574354 /nfs/dbraw/zinc/57/43/54/506574354.db2.gz UXAKSOUAUYURFW-KRWDZBQOSA-N 1 2 374.393 3.458 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccccc2N(C)C)c1 ZINC000589517074 506575598 /nfs/dbraw/zinc/57/55/98/506575598.db2.gz SPZSSEFXTGJWHZ-UHFFFAOYSA-N 1 2 357.410 3.079 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccccc2N(C)C)c1 ZINC000589517074 506575603 /nfs/dbraw/zinc/57/56/03/506575603.db2.gz SPZSSEFXTGJWHZ-UHFFFAOYSA-N 1 2 357.410 3.079 20 5 FGBDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589520589 506577576 /nfs/dbraw/zinc/57/75/76/506577576.db2.gz GHJGPSCJSNRISS-UHFFFAOYSA-N 1 2 364.405 3.484 20 5 FGBDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589520589 506577584 /nfs/dbraw/zinc/57/75/84/506577584.db2.gz GHJGPSCJSNRISS-UHFFFAOYSA-N 1 2 364.405 3.484 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000599986982 506736413 /nfs/dbraw/zinc/73/64/13/506736413.db2.gz BTOXAXHLGOBUQB-DLBZAZTESA-N 1 2 368.437 3.068 20 5 FGBDLO COc1ccc(CC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1[N+](=O)[O-] ZINC000609010686 506762270 /nfs/dbraw/zinc/76/22/70/506762270.db2.gz CMEHUTOZULYQLJ-UHFFFAOYSA-N 1 2 366.377 3.185 20 5 FGBDLO COCC1(C2CCC2)C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597190254 506824598 /nfs/dbraw/zinc/82/45/98/506824598.db2.gz ADDXWKHNOBTNQV-UHFFFAOYSA-N 1 2 356.369 3.445 20 5 FGBDLO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594008312 506879140 /nfs/dbraw/zinc/87/91/40/506879140.db2.gz MNVQJOBCMAQJLG-UHFFFAOYSA-N 1 2 370.453 3.444 20 5 FGBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1F ZINC000609450905 506885985 /nfs/dbraw/zinc/88/59/85/506885985.db2.gz BAFVRTTZZQAVHZ-MEDUHNTESA-N 1 2 361.348 3.329 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609488607 506897957 /nfs/dbraw/zinc/89/79/57/506897957.db2.gz XEVACGWUZWPKPR-UHFFFAOYSA-N 1 2 351.366 3.334 20 5 FGBDLO Cc1c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000609664381 506966977 /nfs/dbraw/zinc/96/69/77/506966977.db2.gz VLPOKXJRHUATAH-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000583833845 507000165 /nfs/dbraw/zinc/00/01/65/507000165.db2.gz GXAZPXIALXOIPZ-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000583851649 507008308 /nfs/dbraw/zinc/00/83/08/507008308.db2.gz GKJQXLUFBRVOOO-ZDUSSCGKSA-N 1 2 373.457 3.383 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000583851649 507008316 /nfs/dbraw/zinc/00/83/16/507008316.db2.gz GKJQXLUFBRVOOO-ZDUSSCGKSA-N 1 2 373.457 3.383 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000609995226 507064434 /nfs/dbraw/zinc/06/44/34/507064434.db2.gz OUQGAUNKBRUKPV-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000597863211 507139872 /nfs/dbraw/zinc/13/98/72/507139872.db2.gz LAHNPFRPPMUSFW-KBPBESRZSA-N 1 2 371.441 3.072 20 5 FGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000597863211 507139877 /nfs/dbraw/zinc/13/98/77/507139877.db2.gz LAHNPFRPPMUSFW-KBPBESRZSA-N 1 2 371.441 3.072 20 5 FGBDLO CC1(C)C[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000594514692 507165329 /nfs/dbraw/zinc/16/53/29/507165329.db2.gz ZIOFSBFWKMOAOR-LSDHHAIUSA-N 1 2 357.414 3.077 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594520841 507170489 /nfs/dbraw/zinc/17/04/89/507170489.db2.gz PZFKAHHMIYSRBF-ROUUACIJSA-N 1 2 370.453 3.499 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610476239 507254375 /nfs/dbraw/zinc/25/43/75/507254375.db2.gz LJTZDHLNEBLVDQ-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610476239 507254384 /nfs/dbraw/zinc/25/43/84/507254384.db2.gz LJTZDHLNEBLVDQ-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581044 507302552 /nfs/dbraw/zinc/30/25/52/507302552.db2.gz BJAHIBXVIJVVKM-UHFFFAOYSA-N 1 2 355.350 3.155 20 5 FGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581044 507302559 /nfs/dbraw/zinc/30/25/59/507302559.db2.gz BJAHIBXVIJVVKM-UHFFFAOYSA-N 1 2 355.350 3.155 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000595032995 507362206 /nfs/dbraw/zinc/36/22/06/507362206.db2.gz OOXPQVRGRSSELV-CYBMUJFWSA-N 1 2 355.394 3.425 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000610718649 507362686 /nfs/dbraw/zinc/36/26/86/507362686.db2.gz NRBDJSVWJRIGFW-KRWDZBQOSA-N 1 2 372.425 3.106 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1Cc2ccccc2C1 ZINC000610769818 507383673 /nfs/dbraw/zinc/38/36/73/507383673.db2.gz IIIYRDMQEQYFRY-UHFFFAOYSA-N 1 2 363.215 3.180 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000591851251 507391431 /nfs/dbraw/zinc/39/14/31/507391431.db2.gz MCKDTYCBDNRCLL-HIFRSBDPSA-N 1 2 367.243 3.358 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000591851251 507391438 /nfs/dbraw/zinc/39/14/38/507391438.db2.gz MCKDTYCBDNRCLL-HIFRSBDPSA-N 1 2 367.243 3.358 20 5 FGBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429763 507492926 /nfs/dbraw/zinc/49/29/26/507492926.db2.gz JTPYEWLYSOIPCL-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429763 507492936 /nfs/dbraw/zinc/49/29/36/507492936.db2.gz JTPYEWLYSOIPCL-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO Cc1noc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595440970 507499508 /nfs/dbraw/zinc/49/95/08/507499508.db2.gz HXEDRAXBOHYSJJ-MJBXVCDLSA-N 1 2 365.430 3.366 20 5 FGBDLO Cc1noc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595440970 507499511 /nfs/dbraw/zinc/49/95/11/507499511.db2.gz HXEDRAXBOHYSJJ-MJBXVCDLSA-N 1 2 365.430 3.366 20 5 FGBDLO COC(=O)c1ccnc(Nc2ccc(NC3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000598592615 507511158 /nfs/dbraw/zinc/51/11/58/507511158.db2.gz KCTFFTPXSXPZLN-UHFFFAOYSA-N 1 2 357.370 3.270 20 5 FGBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485202 507524393 /nfs/dbraw/zinc/52/43/93/507524393.db2.gz WKPFJKWDEDGEQB-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485202 507524401 /nfs/dbraw/zinc/52/44/01/507524401.db2.gz WKPFJKWDEDGEQB-UHFFFAOYSA-N 1 2 351.422 3.347 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595500796 507532128 /nfs/dbraw/zinc/53/21/28/507532128.db2.gz LTHPLAGGINDFGB-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595500796 507532137 /nfs/dbraw/zinc/53/21/37/507532137.db2.gz LTHPLAGGINDFGB-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000611265007 507589692 /nfs/dbraw/zinc/58/96/92/507589692.db2.gz IGJXYLGBMDYILA-VLIAUNLRSA-N 1 2 370.405 3.328 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000611265007 507589700 /nfs/dbraw/zinc/58/97/00/507589700.db2.gz IGJXYLGBMDYILA-VLIAUNLRSA-N 1 2 370.405 3.328 20 5 FGBDLO Cn1cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])n1 ZINC000602443871 507712945 /nfs/dbraw/zinc/71/29/45/507712945.db2.gz XZJYAUKFHVDBOB-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889966 507730764 /nfs/dbraw/zinc/73/07/64/507730764.db2.gz JZFNEODUFBWBGE-WFASDCNBSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889966 507730769 /nfs/dbraw/zinc/73/07/69/507730769.db2.gz JZFNEODUFBWBGE-WFASDCNBSA-N 1 2 362.348 3.405 20 5 FGBDLO O=C(Nc1n[nH]c2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000476419939 561118962 /nfs/dbraw/zinc/11/89/62/561118962.db2.gz SLXNLVJETGGTPG-UHFFFAOYSA-N 1 2 366.312 3.048 20 5 FGBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000172180540 705410048 /nfs/dbraw/zinc/41/00/48/705410048.db2.gz ZKYOHZLMKDFJME-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000172180540 705410049 /nfs/dbraw/zinc/41/00/49/705410049.db2.gz ZKYOHZLMKDFJME-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000172176355 705410053 /nfs/dbraw/zinc/41/00/53/705410053.db2.gz UJRCRFQFKCHHHD-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000172176355 705410054 /nfs/dbraw/zinc/41/00/54/705410054.db2.gz UJRCRFQFKCHHHD-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000784360869 724846496 /nfs/dbraw/zinc/84/64/96/724846496.db2.gz BVSYFTKMQPJMCY-INIZCTEOSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000735490911 722516743 /nfs/dbraw/zinc/51/67/43/722516743.db2.gz VCRAXIJELCBOED-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000735490911 722516744 /nfs/dbraw/zinc/51/67/44/722516744.db2.gz VCRAXIJELCBOED-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO CSc1ccccc1C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000794655047 723538517 /nfs/dbraw/zinc/53/85/17/723538517.db2.gz LMNWTWXLRWTSBP-UHFFFAOYSA-N 1 2 357.439 3.459 20 5 FGBDLO CSc1ccccc1C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000794655047 723538521 /nfs/dbraw/zinc/53/85/21/723538521.db2.gz LMNWTWXLRWTSBP-UHFFFAOYSA-N 1 2 357.439 3.459 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146716 723964045 /nfs/dbraw/zinc/96/40/45/723964045.db2.gz PZGRDTBYFKKCGW-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146716 723964046 /nfs/dbraw/zinc/96/40/46/723964046.db2.gz PZGRDTBYFKKCGW-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242432 724370063 /nfs/dbraw/zinc/37/00/63/724370063.db2.gz IVZRCPMBMVTEBK-ZDUSSCGKSA-N 1 2 356.419 3.296 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242432 724370065 /nfs/dbraw/zinc/37/00/65/724370065.db2.gz IVZRCPMBMVTEBK-ZDUSSCGKSA-N 1 2 356.419 3.296 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000788461921 725065735 /nfs/dbraw/zinc/06/57/35/725065735.db2.gz YWVBJZYNCYLSKW-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000820632619 729012854 /nfs/dbraw/zinc/01/28/54/729012854.db2.gz OHRMFRDKHBXPQE-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000820632619 729012859 /nfs/dbraw/zinc/01/28/59/729012859.db2.gz OHRMFRDKHBXPQE-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826703569 729412903 /nfs/dbraw/zinc/41/29/03/729412903.db2.gz FZICXKMYINJTLM-MRXNPFEDSA-N 1 2 359.813 3.473 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826703569 729412905 /nfs/dbraw/zinc/41/29/05/729412905.db2.gz FZICXKMYINJTLM-MRXNPFEDSA-N 1 2 359.813 3.473 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000832343670 729706102 /nfs/dbraw/zinc/70/61/02/729706102.db2.gz IVDDUHOJMUSWLR-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000832343670 729706106 /nfs/dbraw/zinc/70/61/06/729706106.db2.gz IVDDUHOJMUSWLR-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000844823034 730774926 /nfs/dbraw/zinc/77/49/26/730774926.db2.gz XKTPJFXEJDBRBR-HOTGVXAUSA-N 1 2 366.780 3.215 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)nc1 ZINC000847031596 731009524 /nfs/dbraw/zinc/00/95/24/731009524.db2.gz BBJJWLHLWVSMJU-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO O=[N+]([O-])c1cnn(C2CC([NH2+]c3ccc(N4CCSCC4)cc3)C2)c1 ZINC000876863632 736155648 /nfs/dbraw/zinc/15/56/48/736155648.db2.gz IMNWYJVFIDWCQA-UHFFFAOYSA-N 1 2 359.455 3.160 20 5 FGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877828044 736732507 /nfs/dbraw/zinc/73/25/07/736732507.db2.gz DLMUUGKVNWLADE-QMMMGPOBSA-N 1 2 357.233 3.368 20 5 FGBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1=CCCOC1 ZINC000878937184 736936002 /nfs/dbraw/zinc/93/60/02/736936002.db2.gz PUGWXVKKAXXRDM-UHFFFAOYSA-N 1 2 364.789 3.077 20 5 FGBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1=CCCOC1 ZINC000878937184 736936004 /nfs/dbraw/zinc/93/60/04/736936004.db2.gz PUGWXVKKAXXRDM-UHFFFAOYSA-N 1 2 364.789 3.077 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879626760 737018151 /nfs/dbraw/zinc/01/81/51/737018151.db2.gz QATZQPGQDLDHFC-NSHDSACASA-N 1 2 369.849 3.058 20 5 FGBDLO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000886111535 739219606 /nfs/dbraw/zinc/21/96/06/739219606.db2.gz DEQMVYDNCGKDPU-AWEZNQCLSA-N 1 2 355.316 3.486 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1F ZINC000891507777 739908808 /nfs/dbraw/zinc/90/88/08/739908808.db2.gz HOKYORAUJWSFGJ-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1F ZINC000891507777 739908811 /nfs/dbraw/zinc/90/88/11/739908811.db2.gz HOKYORAUJWSFGJ-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(F)(F)c3cc(F)cc(F)c3)C2)c1 ZINC000895605163 742432654 /nfs/dbraw/zinc/43/26/54/742432654.db2.gz OYMZYGIZYQHREV-UHFFFAOYSA-N 1 2 358.295 3.155 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)C3)o2)c(Cl)c1 ZINC000898192992 742755710 /nfs/dbraw/zinc/75/57/10/742755710.db2.gz NIBYFCUCSXZABO-GJZGRUSLSA-N 1 2 354.765 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)C3)o2)c(Cl)c1 ZINC000898192992 742755714 /nfs/dbraw/zinc/75/57/14/742755714.db2.gz NIBYFCUCSXZABO-GJZGRUSLSA-N 1 2 354.765 3.413 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907837163 744240375 /nfs/dbraw/zinc/24/03/75/744240375.db2.gz RQQILUBPQOUWSB-GFCCVEGCSA-N 1 2 365.748 3.076 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000929603562 760418425 /nfs/dbraw/zinc/41/84/25/760418425.db2.gz OBLCBNZXVNURFI-INIZCTEOSA-N 1 2 365.227 3.355 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)no1 ZINC000931935366 761010799 /nfs/dbraw/zinc/01/07/99/761010799.db2.gz LPVQVVRHWGHWDH-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)no1 ZINC000931935366 761010810 /nfs/dbraw/zinc/01/08/10/761010810.db2.gz LPVQVVRHWGHWDH-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1cc(N(C)C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047182620 208374694 /nfs/dbraw/zinc/37/46/94/208374694.db2.gz IAWLUMAYGUTAKP-UHFFFAOYSA-N 1 2 365.393 3.407 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376551380 257482206 /nfs/dbraw/zinc/48/22/06/257482206.db2.gz HXWNEPORTCONEI-UGSOOPFHSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376551380 257482207 /nfs/dbraw/zinc/48/22/07/257482207.db2.gz HXWNEPORTCONEI-UGSOOPFHSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000571084298 505650090 /nfs/dbraw/zinc/65/00/90/505650090.db2.gz PYOQSSLSJRPVKR-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000571084298 505650093 /nfs/dbraw/zinc/65/00/93/505650093.db2.gz PYOQSSLSJRPVKR-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO Cc1cc(NCCNc2cccc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825574 493804101 /nfs/dbraw/zinc/80/41/01/493804101.db2.gz UPCUJEUHWVUNCV-UHFFFAOYSA-N 1 2 350.382 3.279 20 5 FGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000048314349 493814759 /nfs/dbraw/zinc/81/47/59/493814759.db2.gz FKEIAFBNYKZGIS-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030584887 493899093 /nfs/dbraw/zinc/89/90/93/493899093.db2.gz XBBMKLBVWHKFAW-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO O=C(Nc1nc(C2CC2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032638706 494001933 /nfs/dbraw/zinc/00/19/33/494001933.db2.gz DTLWZVAIJADKEM-UHFFFAOYSA-N 1 2 355.379 3.367 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083174236 494003425 /nfs/dbraw/zinc/00/34/25/494003425.db2.gz PIVAGDYDQJODBA-AWEZNQCLSA-N 1 2 367.409 3.010 20 5 FGBDLO O=[N+]([O-])c1c(NCc2ccc(N3CCCCC3)[nH+]c2)nc2sccn21 ZINC000052314749 494018353 /nfs/dbraw/zinc/01/83/53/494018353.db2.gz FHTTVHMBDALWAI-UHFFFAOYSA-N 1 2 358.427 3.301 20 5 FGBDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000574110780 505695626 /nfs/dbraw/zinc/69/56/26/505695626.db2.gz FKFJGLFWBUJRFM-AWEZNQCLSA-N 1 2 354.410 3.010 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000077233942 494038788 /nfs/dbraw/zinc/03/87/88/494038788.db2.gz KWNANFNQPGFQGC-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000077233942 494038793 /nfs/dbraw/zinc/03/87/93/494038793.db2.gz KWNANFNQPGFQGC-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000052752442 494059965 /nfs/dbraw/zinc/05/99/65/494059965.db2.gz AHSBUXYXRXNKJT-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000053124799 494096641 /nfs/dbraw/zinc/09/66/41/494096641.db2.gz RZQJQKJLVPPSDG-GFCCVEGCSA-N 1 2 361.373 3.374 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000053124799 494096645 /nfs/dbraw/zinc/09/66/45/494096645.db2.gz RZQJQKJLVPPSDG-GFCCVEGCSA-N 1 2 361.373 3.374 20 5 FGBDLO CN(C(=O)C[N@H+](Cc1cccc(F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000053231976 494107966 /nfs/dbraw/zinc/10/79/66/494107966.db2.gz LSEBMZUVOZDALL-UHFFFAOYSA-N 1 2 357.385 3.361 20 5 FGBDLO CN(C(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000053231976 494107969 /nfs/dbraw/zinc/10/79/69/494107969.db2.gz LSEBMZUVOZDALL-UHFFFAOYSA-N 1 2 357.385 3.361 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000077651229 494131824 /nfs/dbraw/zinc/13/18/24/494131824.db2.gz MLXQBDIBTWAGIT-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000012667267 494249342 /nfs/dbraw/zinc/24/93/42/494249342.db2.gz VIGLOMILQOXFIM-UHFFFAOYSA-N 1 2 366.402 3.430 20 5 FGBDLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000043147803 494270297 /nfs/dbraw/zinc/27/02/97/494270297.db2.gz RTRIFYPYDHAZDD-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043151412 494271609 /nfs/dbraw/zinc/27/16/09/494271609.db2.gz YSZSXXAZTDJCIC-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000066562966 494356238 /nfs/dbraw/zinc/35/62/38/494356238.db2.gz TXBMTJANWJRVLH-JTQLQIEISA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000066562966 494356241 /nfs/dbraw/zinc/35/62/41/494356241.db2.gz TXBMTJANWJRVLH-JTQLQIEISA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000016977745 494404475 /nfs/dbraw/zinc/40/44/75/494404475.db2.gz IYPBSURNFSZROD-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045951582 494479511 /nfs/dbraw/zinc/47/95/11/494479511.db2.gz HXXDWTCJLRQAGE-UHFFFAOYSA-N 1 2 355.398 3.089 20 5 FGBDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000056385540 494497133 /nfs/dbraw/zinc/49/71/33/494497133.db2.gz NWAZOKNAGJNHIN-CQSZACIVSA-N 1 2 369.425 3.150 20 5 FGBDLO C[N@H+](CC(=O)NCCCSc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000046599080 494540131 /nfs/dbraw/zinc/54/01/31/494540131.db2.gz AFONYFWGUBIMQO-UHFFFAOYSA-N 1 2 373.478 3.325 20 5 FGBDLO C[N@@H+](CC(=O)NCCCSc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000046599080 494540136 /nfs/dbraw/zinc/54/01/36/494540136.db2.gz AFONYFWGUBIMQO-UHFFFAOYSA-N 1 2 373.478 3.325 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131329398 494586063 /nfs/dbraw/zinc/58/60/63/494586063.db2.gz DKOMXTXAAURIEP-AWEZNQCLSA-N 1 2 371.412 3.139 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131329398 494586069 /nfs/dbraw/zinc/58/60/69/494586069.db2.gz DKOMXTXAAURIEP-AWEZNQCLSA-N 1 2 371.412 3.139 20 5 FGBDLO Cc1sc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000024437832 494628856 /nfs/dbraw/zinc/62/88/56/494628856.db2.gz PBUHOHOONNHWQA-UHFFFAOYSA-N 1 2 356.407 3.140 20 5 FGBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092480173 494640164 /nfs/dbraw/zinc/64/01/64/494640164.db2.gz MNZHSJOTGBDDLN-UHFFFAOYSA-N 1 2 370.409 3.087 20 5 FGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000024691034 494656563 /nfs/dbraw/zinc/65/65/63/494656563.db2.gz GCQRWQYNXLXNJJ-UHFFFAOYSA-N 1 2 365.393 3.204 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CS(C)(=O)=O ZINC000126228753 494679096 /nfs/dbraw/zinc/67/90/96/494679096.db2.gz ZMJUPSILVJLBMC-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CS(C)(=O)=O ZINC000126228753 494679101 /nfs/dbraw/zinc/67/91/01/494679101.db2.gz ZMJUPSILVJLBMC-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000126241116 494684940 /nfs/dbraw/zinc/68/49/40/494684940.db2.gz VZSNQXUHRYITHP-KRWDZBQOSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000126241116 494684945 /nfs/dbraw/zinc/68/49/45/494684945.db2.gz VZSNQXUHRYITHP-KRWDZBQOSA-N 1 2 364.423 3.117 20 5 FGBDLO Cc1n[nH]c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc12 ZINC000091826660 494695070 /nfs/dbraw/zinc/69/50/70/494695070.db2.gz OEIBVOIMLJEONH-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000025166923 494704903 /nfs/dbraw/zinc/70/49/03/494704903.db2.gz IJWLHIORUOUGSL-VMPITWQZSA-N 1 2 366.421 3.458 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000091978309 494741149 /nfs/dbraw/zinc/74/11/49/494741149.db2.gz OFBIAVWBURGRTO-HOTGVXAUSA-N 1 2 371.462 3.218 20 5 FGBDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000116325358 494762382 /nfs/dbraw/zinc/76/23/82/494762382.db2.gz WFDXQZFEONWKNE-GOSISDBHSA-N 1 2 371.462 3.292 20 5 FGBDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000116325358 494762388 /nfs/dbraw/zinc/76/23/88/494762388.db2.gz WFDXQZFEONWKNE-GOSISDBHSA-N 1 2 371.462 3.292 20 5 FGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc2c(c1)OCO2 ZINC000025926297 494789790 /nfs/dbraw/zinc/78/97/90/494789790.db2.gz JRVODAVWHGFWPH-UHFFFAOYSA-N 1 2 368.349 3.006 20 5 FGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc2c(c1)OCO2 ZINC000025926297 494789794 /nfs/dbraw/zinc/78/97/94/494789794.db2.gz JRVODAVWHGFWPH-UHFFFAOYSA-N 1 2 368.349 3.006 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349008 494820225 /nfs/dbraw/zinc/82/02/25/494820225.db2.gz FHMCYPZQNYXNEF-QGZVFWFLSA-N 1 2 357.410 3.453 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349008 494820229 /nfs/dbraw/zinc/82/02/29/494820229.db2.gz FHMCYPZQNYXNEF-QGZVFWFLSA-N 1 2 357.410 3.453 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349215 494821800 /nfs/dbraw/zinc/82/18/00/494821800.db2.gz HQZLUNGRYMPVAD-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349215 494821803 /nfs/dbraw/zinc/82/18/03/494821803.db2.gz HQZLUNGRYMPVAD-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026759052 494837084 /nfs/dbraw/zinc/83/70/84/494837084.db2.gz BXYNVDKQGMELAD-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000580382368 505745483 /nfs/dbraw/zinc/74/54/83/505745483.db2.gz QMYLGRBIILPKMR-UHFFFAOYSA-N 1 2 353.382 3.169 20 5 FGBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000121773824 494857623 /nfs/dbraw/zinc/85/76/23/494857623.db2.gz SSROVCBGFOBFJN-RDJZCZTQSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000121773824 494857626 /nfs/dbraw/zinc/85/76/26/494857626.db2.gz SSROVCBGFOBFJN-RDJZCZTQSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000027383189 494865668 /nfs/dbraw/zinc/86/56/68/494865668.db2.gz INNIXKQTZHEWBG-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000571503447 505748710 /nfs/dbraw/zinc/74/87/10/505748710.db2.gz UBKSBJDGSCUQPR-HNNXBMFYSA-N 1 2 372.425 3.116 20 5 FGBDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093707784 494913881 /nfs/dbraw/zinc/91/38/81/494913881.db2.gz KLSWSQJVCXBVOV-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093707784 494913884 /nfs/dbraw/zinc/91/38/84/494913884.db2.gz KLSWSQJVCXBVOV-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127479783 494950458 /nfs/dbraw/zinc/95/04/58/494950458.db2.gz GKHTYJAJWAHPKU-ZDUSSCGKSA-N 1 2 362.773 3.328 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(-n3ccnc3)cs1)CCO2 ZINC000568717787 505760081 /nfs/dbraw/zinc/76/00/81/505760081.db2.gz OLAUJNMOUPKBOT-UHFFFAOYSA-N 1 2 356.407 3.237 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(-n3ccnc3)cs1)CCO2 ZINC000568717787 505760085 /nfs/dbraw/zinc/76/00/85/505760085.db2.gz OLAUJNMOUPKBOT-UHFFFAOYSA-N 1 2 356.407 3.237 20 5 FGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000134024416 495095825 /nfs/dbraw/zinc/09/58/25/495095825.db2.gz CVSRMJPKEJCMHA-MFKMUULPSA-N 1 2 366.219 3.036 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128508740 495108257 /nfs/dbraw/zinc/10/82/57/495108257.db2.gz OJNPECMBIPAVAL-HNNXBMFYSA-N 1 2 365.437 3.350 20 5 FGBDLO Cc1c(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000128556392 495115611 /nfs/dbraw/zinc/11/56/11/495115611.db2.gz XLGSRFZOHOFGBI-UHFFFAOYSA-N 1 2 365.437 3.097 20 5 FGBDLO C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000580449368 505762544 /nfs/dbraw/zinc/76/25/44/505762544.db2.gz OEBAKDXFECADHD-GWCFXTLKSA-N 1 2 370.331 3.242 20 5 FGBDLO CSc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000119308232 495139027 /nfs/dbraw/zinc/13/90/27/495139027.db2.gz PTQCUTXPBLICPP-CYBMUJFWSA-N 1 2 374.466 3.145 20 5 FGBDLO Cc1csc2nc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n12 ZINC000135224361 495264956 /nfs/dbraw/zinc/26/49/56/495264956.db2.gz QHAHCKQQJUILGB-UHFFFAOYSA-N 1 2 370.434 3.137 20 5 FGBDLO Cc1csc2nc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n12 ZINC000135224361 495264961 /nfs/dbraw/zinc/26/49/61/495264961.db2.gz QHAHCKQQJUILGB-UHFFFAOYSA-N 1 2 370.434 3.137 20 5 FGBDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000120107306 495308360 /nfs/dbraw/zinc/30/83/60/495308360.db2.gz DDDGKWNXFSATMQ-UHFFFAOYSA-N 1 2 371.224 3.311 20 5 FGBDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000120107306 495308363 /nfs/dbraw/zinc/30/83/63/495308363.db2.gz DDDGKWNXFSATMQ-UHFFFAOYSA-N 1 2 371.224 3.311 20 5 FGBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120204429 495327054 /nfs/dbraw/zinc/32/70/54/495327054.db2.gz NUDXNPLPXUKIHL-MRXNPFEDSA-N 1 2 369.425 3.286 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000130609184 495419096 /nfs/dbraw/zinc/41/90/96/495419096.db2.gz JYJCAMRZTKIUIU-OAHLLOKOSA-N 1 2 368.397 3.322 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000130609184 495419100 /nfs/dbraw/zinc/41/91/00/495419100.db2.gz JYJCAMRZTKIUIU-OAHLLOKOSA-N 1 2 368.397 3.322 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137096827 495423336 /nfs/dbraw/zinc/42/33/36/495423336.db2.gz NLGGIBSJLALROS-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000130892369 495462364 /nfs/dbraw/zinc/46/23/64/495462364.db2.gz CPOYJNMHJOYNPO-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000130892369 495462366 /nfs/dbraw/zinc/46/23/66/495462366.db2.gz CPOYJNMHJOYNPO-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131087001 495490699 /nfs/dbraw/zinc/49/06/99/495490699.db2.gz KCQTYUMCRICEBR-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131087001 495490701 /nfs/dbraw/zinc/49/07/01/495490701.db2.gz KCQTYUMCRICEBR-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000131258715 495513820 /nfs/dbraw/zinc/51/38/20/495513820.db2.gz RMSHUTGWZYDVPQ-LBPRGKRZSA-N 1 2 357.395 3.118 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000107180187 495523200 /nfs/dbraw/zinc/52/32/00/495523200.db2.gz BXNGJUIUKCPBMO-UHFFFAOYSA-N 1 2 360.439 3.362 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000107179882 495523247 /nfs/dbraw/zinc/52/32/47/495523247.db2.gz YDADKVRKHRTGMG-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000154255629 495559206 /nfs/dbraw/zinc/55/92/06/495559206.db2.gz QTFXXWGFGBXUOT-QGZVFWFLSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000154255629 495559211 /nfs/dbraw/zinc/55/92/11/495559211.db2.gz QTFXXWGFGBXUOT-QGZVFWFLSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CCCO)c3ccccc3)n2)c1 ZINC000179748790 495717177 /nfs/dbraw/zinc/71/71/77/495717177.db2.gz IUHMWBNVTMGGLE-QGZVFWFLSA-N 1 2 368.393 3.248 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000182829325 495719903 /nfs/dbraw/zinc/71/99/03/495719903.db2.gz JHOAOFSVOMGHID-INIZCTEOSA-N 1 2 352.337 3.359 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179869003 495765670 /nfs/dbraw/zinc/76/56/70/495765670.db2.gz YKMBTJSQOHXINC-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179869003 495765678 /nfs/dbraw/zinc/76/56/78/495765678.db2.gz YKMBTJSQOHXINC-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247706 495881572 /nfs/dbraw/zinc/88/15/72/495881572.db2.gz AGQHZWIKGJVEDX-LBPRGKRZSA-N 1 2 358.398 3.460 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155481956 495969937 /nfs/dbraw/zinc/96/99/37/495969937.db2.gz BKMXCWFBAGKIMH-XHBSWPGZSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155481956 495969943 /nfs/dbraw/zinc/96/99/43/495969943.db2.gz BKMXCWFBAGKIMH-XHBSWPGZSA-N 1 2 367.833 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccccn3)C3CC3)n2)cc1 ZINC000180858571 496174908 /nfs/dbraw/zinc/17/49/08/496174908.db2.gz DEBTYFMKOCQLCG-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccccn3)C3CC3)n2)cc1 ZINC000180858571 496174911 /nfs/dbraw/zinc/17/49/11/496174911.db2.gz DEBTYFMKOCQLCG-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO CCc1cc(NCCCNC(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000161454618 496179360 /nfs/dbraw/zinc/17/93/60/496179360.db2.gz XBZWWSCFSGSQQY-UHFFFAOYSA-N 1 2 371.441 3.188 20 5 FGBDLO Cc1cnc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000177855297 496224704 /nfs/dbraw/zinc/22/47/04/496224704.db2.gz HXIIVFFNDDZNEH-LLVKDONJSA-N 1 2 357.395 3.036 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000177871456 496233080 /nfs/dbraw/zinc/23/30/80/496233080.db2.gz BCTAKHLCSATUBR-UHFFFAOYSA-N 1 2 372.400 3.392 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184236393 496298399 /nfs/dbraw/zinc/29/83/99/496298399.db2.gz BCTIACMNNDJYDX-LJQANCHMSA-N 1 2 360.385 3.490 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184236393 496298403 /nfs/dbraw/zinc/29/84/03/496298403.db2.gz BCTIACMNNDJYDX-LJQANCHMSA-N 1 2 360.385 3.490 20 5 FGBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000162460141 496357524 /nfs/dbraw/zinc/35/75/24/496357524.db2.gz XYUNDYDSDKDFFD-UHFFFAOYSA-N 1 2 351.790 3.028 20 5 FGBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000162460141 496357529 /nfs/dbraw/zinc/35/75/29/496357529.db2.gz XYUNDYDSDKDFFD-UHFFFAOYSA-N 1 2 351.790 3.028 20 5 FGBDLO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153135916 496363468 /nfs/dbraw/zinc/36/34/68/496363468.db2.gz ATRIRBUITHWCPQ-QWRGUYRKSA-N 1 2 368.231 3.028 20 5 FGBDLO COc1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000153152367 496368550 /nfs/dbraw/zinc/36/85/50/496368550.db2.gz GCAIWXGXZMHNLO-AWEZNQCLSA-N 1 2 371.393 3.010 20 5 FGBDLO CN(C)c1ccccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153157853 496369419 /nfs/dbraw/zinc/36/94/19/496369419.db2.gz YLIVROUKQZHJSE-UHFFFAOYSA-N 1 2 365.393 3.123 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])cc1F ZINC000184408656 496371666 /nfs/dbraw/zinc/37/16/66/496371666.db2.gz DWJAUMANPMXAIT-GFCCVEGCSA-N 1 2 371.372 3.174 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349881 496427595 /nfs/dbraw/zinc/42/75/95/496427595.db2.gz NKSRXBBIYZTSQT-KGLIPLIRSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349881 496427601 /nfs/dbraw/zinc/42/76/01/496427601.db2.gz NKSRXBBIYZTSQT-KGLIPLIRSA-N 1 2 371.412 3.358 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187513049 496471732 /nfs/dbraw/zinc/47/17/32/496471732.db2.gz TZAAWBWGUXUXPZ-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO CC(=O)c1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184866443 496563867 /nfs/dbraw/zinc/56/38/67/496563867.db2.gz FYSCZZOIZVLOFT-UHFFFAOYSA-N 1 2 368.324 3.375 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3F)c2cc1C ZINC000153907761 496620388 /nfs/dbraw/zinc/62/03/88/496620388.db2.gz YSLFJZKPDWBSCG-CQSZACIVSA-N 1 2 359.357 3.140 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185013826 496622886 /nfs/dbraw/zinc/62/28/86/496622886.db2.gz BAXWZJRMTFNAOM-WDEREUQCSA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182199227 496704138 /nfs/dbraw/zinc/70/41/38/496704138.db2.gz WUDJJVMVZTZQKA-CYBMUJFWSA-N 1 2 366.414 3.201 20 5 FGBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182199227 496704143 /nfs/dbraw/zinc/70/41/43/496704143.db2.gz WUDJJVMVZTZQKA-CYBMUJFWSA-N 1 2 366.414 3.201 20 5 FGBDLO O=C(Nc1ccc(Cl)cc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179191699 496705849 /nfs/dbraw/zinc/70/58/49/496705849.db2.gz QPCHGRAAXCERSQ-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185275556 496723015 /nfs/dbraw/zinc/72/30/15/496723015.db2.gz HOMKQUVEIFWAJW-LRDDRELGSA-N 1 2 360.414 3.410 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374708 496787802 /nfs/dbraw/zinc/78/78/02/496787802.db2.gz HGZPZJKOMZEVQG-UHFFFAOYSA-N 1 2 373.388 3.441 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000273382365 496790419 /nfs/dbraw/zinc/79/04/19/496790419.db2.gz RHOSOKZEINBLKE-UHFFFAOYSA-N 1 2 355.394 3.151 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1)[NH+]1CCOCC1 ZINC000264182341 496830793 /nfs/dbraw/zinc/83/07/93/496830793.db2.gz FALJESWJZRGIJT-GFCCVEGCSA-N 1 2 361.423 3.302 20 5 FGBDLO C[C@H](c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264316155 496870724 /nfs/dbraw/zinc/87/07/24/496870724.db2.gz ZVUNJEMROQIHNM-OAHLLOKOSA-N 1 2 369.421 3.169 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000210106444 496976325 /nfs/dbraw/zinc/97/63/25/496976325.db2.gz IJWLHIORUOUGSL-YVMONPNESA-N 1 2 366.421 3.458 20 5 FGBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248369825 496984779 /nfs/dbraw/zinc/98/47/79/496984779.db2.gz WSJSYMIPLAIYSQ-VBKZILBWSA-N 1 2 351.406 3.177 20 5 FGBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248369825 496984787 /nfs/dbraw/zinc/98/47/87/496984787.db2.gz WSJSYMIPLAIYSQ-VBKZILBWSA-N 1 2 351.406 3.177 20 5 FGBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)cc2c1 ZINC000274006378 496989258 /nfs/dbraw/zinc/98/92/58/496989258.db2.gz YSHNICMDSCAVGS-ZDUSSCGKSA-N 1 2 372.406 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)cc2c1 ZINC000274006378 496989263 /nfs/dbraw/zinc/98/92/63/496989263.db2.gz YSHNICMDSCAVGS-ZDUSSCGKSA-N 1 2 372.406 3.395 20 5 FGBDLO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265029037 497034086 /nfs/dbraw/zinc/03/40/86/497034086.db2.gz IECBFFSTKRNTRX-CHWSQXEVSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265029037 497034092 /nfs/dbraw/zinc/03/40/92/497034092.db2.gz IECBFFSTKRNTRX-CHWSQXEVSA-N 1 2 369.849 3.324 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000192253972 497049180 /nfs/dbraw/zinc/04/91/80/497049180.db2.gz HLOKYRRPGHVIAH-UHFFFAOYSA-N 1 2 374.441 3.223 20 5 FGBDLO Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000578195441 505884518 /nfs/dbraw/zinc/88/45/18/505884518.db2.gz HICNSAFTVZXQFL-UHFFFAOYSA-N 1 2 368.315 3.369 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1Oc1cc[nH+]cc1 ZINC000192589605 497158453 /nfs/dbraw/zinc/15/84/53/497158453.db2.gz RIERNOOGBCRUSR-UHFFFAOYSA-N 1 2 365.349 3.320 20 5 FGBDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000270958472 497233615 /nfs/dbraw/zinc/23/36/15/497233615.db2.gz YYBJDAZBFVFVNL-PBHICJAKSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000270968828 497236680 /nfs/dbraw/zinc/23/66/80/497236680.db2.gz PPHWUEMJTXARLG-GXFFZTMASA-N 1 2 366.219 3.036 20 5 FGBDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000266536522 497365772 /nfs/dbraw/zinc/36/57/72/497365772.db2.gz OJXGJNJPVGHUPF-WBMJQRKESA-N 1 2 358.394 3.222 20 5 FGBDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000266536522 497365776 /nfs/dbraw/zinc/36/57/76/497365776.db2.gz OJXGJNJPVGHUPF-WBMJQRKESA-N 1 2 358.394 3.222 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000279481564 497451014 /nfs/dbraw/zinc/45/10/14/497451014.db2.gz KWNDYRGGQBXFGC-AWEZNQCLSA-N 1 2 367.409 3.425 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)c1ccsc1 ZINC000267008164 497467961 /nfs/dbraw/zinc/46/79/61/497467961.db2.gz GLNAAZVFVUCMIL-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000245750903 497528385 /nfs/dbraw/zinc/52/83/85/497528385.db2.gz HCXVMDYYRYQGQA-RTBURBONSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000245750903 497528388 /nfs/dbraw/zinc/52/83/88/497528388.db2.gz HCXVMDYYRYQGQA-RTBURBONSA-N 1 2 358.394 3.235 20 5 FGBDLO C[C@H](O)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272509145 497646775 /nfs/dbraw/zinc/64/67/75/497646775.db2.gz IQLZQCDZCFOCRB-LIRRHRJNSA-N 1 2 366.421 3.261 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000194715363 497747751 /nfs/dbraw/zinc/74/77/51/497747751.db2.gz ILAMXXNSAXVYEW-OAHLLOKOSA-N 1 2 363.364 3.214 20 5 FGBDLO O=C(C1CC[NH+](CC(F)F)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000288632876 497852308 /nfs/dbraw/zinc/85/23/08/497852308.db2.gz WJLIWQUDDYIFII-UHFFFAOYSA-N 1 2 367.396 3.063 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295929409 497857822 /nfs/dbraw/zinc/85/78/22/497857822.db2.gz PHPOKEJHTRZRNQ-KRWDZBQOSA-N 1 2 371.441 3.130 20 5 FGBDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280774616 497894279 /nfs/dbraw/zinc/89/42/79/497894279.db2.gz HOYQKLXJNICBPY-RDTXWAMCSA-N 1 2 362.451 3.167 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)c1 ZINC000364335410 497907173 /nfs/dbraw/zinc/90/71/73/497907173.db2.gz IRVDAUNZNSRHAZ-NSHDSACASA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)c1 ZINC000364335410 497907179 /nfs/dbraw/zinc/90/71/79/497907179.db2.gz IRVDAUNZNSRHAZ-NSHDSACASA-N 1 2 356.213 3.330 20 5 FGBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000301058520 497933033 /nfs/dbraw/zinc/93/30/33/497933033.db2.gz ATFBXDYJAHQHKD-UHFFFAOYSA-N 1 2 351.406 3.110 20 5 FGBDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000301212585 498002461 /nfs/dbraw/zinc/00/24/61/498002461.db2.gz XRANMJFKHCDYJX-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301244413 498017513 /nfs/dbraw/zinc/01/75/13/498017513.db2.gz AEWCIQKUKWSQJK-HNNXBMFYSA-N 1 2 366.324 3.496 20 5 FGBDLO CC(=O)c1ccc(NCCc2[nH+]c3ccc(F)cc3n2C)c([N+](=O)[O-])c1 ZINC000301338940 498062817 /nfs/dbraw/zinc/06/28/17/498062817.db2.gz FJLDXUPUQYGWAA-UHFFFAOYSA-N 1 2 356.357 3.478 20 5 FGBDLO Cc1cnc(NCc2cn3cc(Br)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301428484 498106084 /nfs/dbraw/zinc/10/60/84/498106084.db2.gz HVPWCZCHZUSJSN-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000365001982 498249296 /nfs/dbraw/zinc/24/92/96/498249296.db2.gz OBXKIWJEQCYTDK-KRWDZBQOSA-N 1 2 354.410 3.246 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000365001982 498249301 /nfs/dbraw/zinc/24/93/01/498249301.db2.gz OBXKIWJEQCYTDK-KRWDZBQOSA-N 1 2 354.410 3.246 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000286034254 498272901 /nfs/dbraw/zinc/27/29/01/498272901.db2.gz GTBRNXZYKAHHHQ-UHFFFAOYSA-N 1 2 356.411 3.207 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858171 498297011 /nfs/dbraw/zinc/29/70/11/498297011.db2.gz CSXZXKOSMBTMLB-RDJZCZTQSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858171 498297018 /nfs/dbraw/zinc/29/70/18/498297018.db2.gz CSXZXKOSMBTMLB-RDJZCZTQSA-N 1 2 362.817 3.127 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)on1 ZINC000301898376 498317543 /nfs/dbraw/zinc/31/75/43/498317543.db2.gz WVAAEMYRGFGRJA-UHFFFAOYSA-N 1 2 374.441 3.391 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000572629030 506015408 /nfs/dbraw/zinc/01/54/08/506015408.db2.gz BFALEEJDJGXMBU-FZKQIMNGSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000572629030 506015413 /nfs/dbraw/zinc/01/54/13/506015413.db2.gz BFALEEJDJGXMBU-FZKQIMNGSA-N 1 2 354.410 3.320 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569785416 506016090 /nfs/dbraw/zinc/01/60/90/506016090.db2.gz POXWHJFFNCPBLB-OAHLLOKOSA-N 1 2 369.421 3.169 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000581576582 506018855 /nfs/dbraw/zinc/01/88/55/506018855.db2.gz NBLITUWYCJFIRU-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO COc1ccc2[nH+]c(C)nc(NCc3cc([N+](=O)[O-])ccc3OC)c2c1 ZINC000301980649 498354095 /nfs/dbraw/zinc/35/40/95/498354095.db2.gz XPRRSRWJZSMWFS-UHFFFAOYSA-N 1 2 354.366 3.476 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000361278818 498369123 /nfs/dbraw/zinc/36/91/23/498369123.db2.gz QHCQVQVPXVZXKA-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO Cc1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000302194002 498437027 /nfs/dbraw/zinc/43/70/27/498437027.db2.gz RWPROHLTQHUMKU-UHFFFAOYSA-N 1 2 355.441 3.178 20 5 FGBDLO Cc1nc(NCc2[nH+]ccn2CCCc2ccccc2)ncc1[N+](=O)[O-] ZINC000297496954 498471265 /nfs/dbraw/zinc/47/12/65/498471265.db2.gz MXCKULBKYAREHU-UHFFFAOYSA-N 1 2 352.398 3.135 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000363210362 498705629 /nfs/dbraw/zinc/70/56/29/498705629.db2.gz IOEVFJHMNIJJST-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000363210362 498705634 /nfs/dbraw/zinc/70/56/34/498705634.db2.gz IOEVFJHMNIJJST-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)ccc1Br ZINC000291214494 498847638 /nfs/dbraw/zinc/84/76/38/498847638.db2.gz IVYDVWIOKNVHMQ-LBPRGKRZSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cccn3)C2)ccc1Br ZINC000291214494 498847641 /nfs/dbraw/zinc/84/76/41/498847641.db2.gz IVYDVWIOKNVHMQ-LBPRGKRZSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000295049115 498891819 /nfs/dbraw/zinc/89/18/19/498891819.db2.gz UIMYMHUKUFMMIT-UHFFFAOYSA-N 1 2 356.382 3.300 20 5 FGBDLO Cc1ccnc(-c2noc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000295176747 498933242 /nfs/dbraw/zinc/93/32/42/498933242.db2.gz HVWGKRJZKIFGDP-UHFFFAOYSA-N 1 2 353.382 3.373 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295538879 499046058 /nfs/dbraw/zinc/04/60/58/499046058.db2.gz RBVUCEVHXRVVRD-DGCLKSJQSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295538879 499046063 /nfs/dbraw/zinc/04/60/63/499046063.db2.gz RBVUCEVHXRVVRD-DGCLKSJQSA-N 1 2 369.849 3.058 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000367373242 499190400 /nfs/dbraw/zinc/19/04/00/499190400.db2.gz AYHDKYGRXZZRCT-GOSISDBHSA-N 1 2 367.365 3.116 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC000370268988 499204261 /nfs/dbraw/zinc/20/42/61/499204261.db2.gz PKLSTASWFIYAOK-ZDUSSCGKSA-N 1 2 353.382 3.035 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370272196 499204611 /nfs/dbraw/zinc/20/46/11/499204611.db2.gz CPYKZGHWNDZTFU-UHFFFAOYSA-N 1 2 371.441 3.230 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370272196 499204612 /nfs/dbraw/zinc/20/46/12/499204612.db2.gz CPYKZGHWNDZTFU-UHFFFAOYSA-N 1 2 371.441 3.230 20 5 FGBDLO C[C@@H](C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370324596 499209742 /nfs/dbraw/zinc/20/97/42/499209742.db2.gz KFAPKQDEZUFWMJ-ZIAGYGMSSA-N 1 2 372.400 3.018 20 5 FGBDLO CSc1cccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000368467545 499299009 /nfs/dbraw/zinc/29/90/09/499299009.db2.gz WWLPUJFSWRHOGM-UHFFFAOYSA-N 1 2 360.439 3.122 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369367021 499396386 /nfs/dbraw/zinc/39/63/86/499396386.db2.gz VGKUPDSGPCPCQC-OAHLLOKOSA-N 1 2 356.426 3.472 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373435029 499469512 /nfs/dbraw/zinc/46/95/12/499469512.db2.gz JRIYHZZRGZYKEZ-AWEZNQCLSA-N 1 2 355.398 3.089 20 5 FGBDLO CSc1cccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000375320662 499506942 /nfs/dbraw/zinc/50/69/42/499506942.db2.gz SQGORZGZLWYZST-CYBMUJFWSA-N 1 2 372.450 3.111 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378464953 499520364 /nfs/dbraw/zinc/52/03/64/499520364.db2.gz FGSUSOMIEKUIAT-ZDUSSCGKSA-N 1 2 374.466 3.459 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375550888 499531306 /nfs/dbraw/zinc/53/13/06/499531306.db2.gz BMBGWUTUCKLPSK-UKRRQHHQSA-N 1 2 370.409 3.100 20 5 FGBDLO C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000397974208 499565870 /nfs/dbraw/zinc/56/58/70/499565870.db2.gz JZMQRPVSGRYIEB-HXUWFJFHSA-N 1 2 369.421 3.085 20 5 FGBDLO C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397974208 499565872 /nfs/dbraw/zinc/56/58/72/499565872.db2.gz JZMQRPVSGRYIEB-HXUWFJFHSA-N 1 2 369.421 3.085 20 5 FGBDLO CSc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376094964 499582572 /nfs/dbraw/zinc/58/25/72/499582572.db2.gz MLAWPHKWRFXKRM-LBPRGKRZSA-N 1 2 360.439 3.070 20 5 FGBDLO C[C@](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)(C1CC1)C(F)(F)F ZINC000410524872 499666158 /nfs/dbraw/zinc/66/61/58/499666158.db2.gz MLFVTBLENUTRFN-HNNXBMFYSA-N 1 2 368.315 3.241 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC000377964852 499751718 /nfs/dbraw/zinc/75/17/18/499751718.db2.gz WHUPXXUEAOMOPP-JQWIXIFHSA-N 1 2 369.347 3.162 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411993885 499811177 /nfs/dbraw/zinc/81/11/77/499811177.db2.gz YCYNAXLYLSPKOA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411993885 499811179 /nfs/dbraw/zinc/81/11/79/499811179.db2.gz YCYNAXLYLSPKOA-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000412026820 499814365 /nfs/dbraw/zinc/81/43/65/499814365.db2.gz NHJMPBUACCYKCP-ZDUSSCGKSA-N 1 2 361.398 3.354 20 5 FGBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000412026820 499814366 /nfs/dbraw/zinc/81/43/66/499814366.db2.gz NHJMPBUACCYKCP-ZDUSSCGKSA-N 1 2 361.398 3.354 20 5 FGBDLO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412047640 499817049 /nfs/dbraw/zinc/81/70/49/499817049.db2.gz STMSENTZPMSXLB-JTQLQIEISA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412047640 499817051 /nfs/dbraw/zinc/81/70/51/499817051.db2.gz STMSENTZPMSXLB-JTQLQIEISA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412656955 499872895 /nfs/dbraw/zinc/87/28/95/499872895.db2.gz NXLGQOCXGKIGMH-LLVKDONJSA-N 1 2 370.331 3.489 20 5 FGBDLO Cn1nccc1[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413320737 499941012 /nfs/dbraw/zinc/94/10/12/499941012.db2.gz QGQPBPAEUTZZQA-CXAGYDPISA-N 1 2 353.382 3.209 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130910 500008679 /nfs/dbraw/zinc/00/86/79/500008679.db2.gz VRLADHVNTZDVKN-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130910 500008681 /nfs/dbraw/zinc/00/86/81/500008681.db2.gz VRLADHVNTZDVKN-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO CN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000582257394 506170474 /nfs/dbraw/zinc/17/04/74/506170474.db2.gz XKMGNYVNRISRMD-INIZCTEOSA-N 1 2 373.384 3.189 20 5 FGBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000582257394 506170478 /nfs/dbraw/zinc/17/04/78/506170478.db2.gz XKMGNYVNRISRMD-INIZCTEOSA-N 1 2 373.384 3.189 20 5 FGBDLO COc1ccc(C[N@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000429392406 500067979 /nfs/dbraw/zinc/06/79/79/500067979.db2.gz FWPUWPQVTHZEEI-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000429392406 500067983 /nfs/dbraw/zinc/06/79/83/500067983.db2.gz FWPUWPQVTHZEEI-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425363617 500085387 /nfs/dbraw/zinc/08/53/87/500085387.db2.gz CFKJTVDEENXMDQ-WUTDNEBXSA-N 1 2 365.433 3.171 20 5 FGBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425363617 500085391 /nfs/dbraw/zinc/08/53/91/500085391.db2.gz CFKJTVDEENXMDQ-WUTDNEBXSA-N 1 2 365.433 3.171 20 5 FGBDLO C[C@@]([NH2+]Cc1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426437802 500272224 /nfs/dbraw/zinc/27/22/24/500272224.db2.gz PRKCKBNCBDGXEI-AWEZNQCLSA-N 1 2 373.356 3.165 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432313568 500497221 /nfs/dbraw/zinc/49/72/21/500497221.db2.gz NHIRVRKAJCPXBF-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000428476751 500515631 /nfs/dbraw/zinc/51/56/31/500515631.db2.gz CGWSFTWOFNCPDC-CYBMUJFWSA-N 1 2 357.414 3.030 20 5 FGBDLO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3O)CC2)CC1 ZINC000436956050 500578638 /nfs/dbraw/zinc/57/86/38/500578638.db2.gz KNYSTQJOSXFYTR-UHFFFAOYSA-N 1 2 361.442 3.073 20 5 FGBDLO Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(C)[nH+]1 ZINC000442676333 500610353 /nfs/dbraw/zinc/61/03/53/500610353.db2.gz HOTGSCQPWKIEOD-UHFFFAOYSA-N 1 2 352.350 3.172 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000433050924 500613439 /nfs/dbraw/zinc/61/34/39/500613439.db2.gz FJRJGMUZPCOUJE-QGZVFWFLSA-N 1 2 374.462 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000433050924 500613441 /nfs/dbraw/zinc/61/34/41/500613441.db2.gz FJRJGMUZPCOUJE-QGZVFWFLSA-N 1 2 374.462 3.248 20 5 FGBDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000433221170 500649783 /nfs/dbraw/zinc/64/97/83/500649783.db2.gz SFAREIIDBWYWAH-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000433272135 500658541 /nfs/dbraw/zinc/65/85/41/500658541.db2.gz OKFKBSVDHYJFBA-UHFFFAOYSA-N 1 2 365.792 3.482 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000433272135 500658544 /nfs/dbraw/zinc/65/85/44/500658544.db2.gz OKFKBSVDHYJFBA-UHFFFAOYSA-N 1 2 365.792 3.482 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576996 500662711 /nfs/dbraw/zinc/66/27/11/500662711.db2.gz CWZXOISEMRQPKP-GUYCJALGSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576996 500662713 /nfs/dbraw/zinc/66/27/13/500662713.db2.gz CWZXOISEMRQPKP-GUYCJALGSA-N 1 2 355.394 3.377 20 5 FGBDLO CCC(CC)[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000437903694 500714839 /nfs/dbraw/zinc/71/48/39/500714839.db2.gz VGOLITZYSNGPOZ-SFHVURJKSA-N 1 2 374.441 3.352 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448220980 500735101 /nfs/dbraw/zinc/73/51/01/500735101.db2.gz UXKUGQVPEFADCU-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccco1 ZINC000602566276 506219431 /nfs/dbraw/zinc/21/94/31/506219431.db2.gz WTKNWVDNGNDILN-SNVBAGLBSA-N 1 2 361.217 3.489 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000434982853 500918988 /nfs/dbraw/zinc/91/89/88/500918988.db2.gz NZIPUPQRYYOLQL-HNNXBMFYSA-N 1 2 368.437 3.182 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000434982853 500918990 /nfs/dbraw/zinc/91/89/90/500918990.db2.gz NZIPUPQRYYOLQL-HNNXBMFYSA-N 1 2 368.437 3.182 20 5 FGBDLO CCC1CCC([NH2+]CCOc2ccccc2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000440919861 501063651 /nfs/dbraw/zinc/06/36/51/501063651.db2.gz QPVUXJHGVDQRDH-UHFFFAOYSA-N 1 2 350.415 3.075 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000446313937 501104027 /nfs/dbraw/zinc/10/40/27/501104027.db2.gz TZIPWXAYWWFBIF-UHFFFAOYSA-N 1 2 350.806 3.339 20 5 FGBDLO COCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000450120725 501186454 /nfs/dbraw/zinc/18/64/54/501186454.db2.gz SMPDYLWIBLTUBF-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000450832530 501215138 /nfs/dbraw/zinc/21/51/38/501215138.db2.gz RFNIVQMFDKHNOZ-VIFPVBQESA-N 1 2 352.778 3.424 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451005252 501238396 /nfs/dbraw/zinc/23/83/96/501238396.db2.gz PBXJHJAFSXGGFK-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451005252 501238397 /nfs/dbraw/zinc/23/83/97/501238397.db2.gz PBXJHJAFSXGGFK-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C3CCSCC3)no2)cc1-n1cc[nH+]c1 ZINC000453167760 501283107 /nfs/dbraw/zinc/28/31/07/501283107.db2.gz XWBWRULZJZMCHE-UHFFFAOYSA-N 1 2 357.395 3.441 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000455367761 501283364 /nfs/dbraw/zinc/28/33/64/501283364.db2.gz YTNJCTXYRDIIOA-HNNXBMFYSA-N 1 2 373.413 3.342 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402630 501283890 /nfs/dbraw/zinc/28/38/90/501283890.db2.gz BVIUOFHDDJXNNZ-RYUDHWBXSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402630 501283892 /nfs/dbraw/zinc/28/38/92/501283892.db2.gz BVIUOFHDDJXNNZ-RYUDHWBXSA-N 1 2 359.348 3.220 20 5 FGBDLO CC(C)Oc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453573781 501350824 /nfs/dbraw/zinc/35/08/24/501350824.db2.gz HTLPAJZVVSYHHW-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459325146 501631179 /nfs/dbraw/zinc/63/11/79/501631179.db2.gz KTPUZPDSHOVUPY-UHFFFAOYSA-N 1 2 371.462 3.492 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596112696 506264861 /nfs/dbraw/zinc/26/48/61/506264861.db2.gz SENDPRUUCFWYBL-NSHDSACASA-N 1 2 351.204 3.395 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457310250 501679714 /nfs/dbraw/zinc/67/97/14/501679714.db2.gz IZYOLUIQTHOBHK-ZDUSSCGKSA-N 1 2 362.455 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459641490 501691777 /nfs/dbraw/zinc/69/17/77/501691777.db2.gz YLWKEJJBULFLAD-NSHDSACASA-N 1 2 360.439 3.138 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2cccc(Cl)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000459692005 501699898 /nfs/dbraw/zinc/69/98/98/501699898.db2.gz VNIYFQFWDBODSE-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2cccc(Cl)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000459692005 501699899 /nfs/dbraw/zinc/69/98/99/501699899.db2.gz VNIYFQFWDBODSE-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467226439 501743871 /nfs/dbraw/zinc/74/38/71/501743871.db2.gz UJOWQGDIQGWJDJ-UHFFFAOYSA-N 1 2 363.805 3.061 20 5 FGBDLO COc1cc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1[N+](=O)[O-] ZINC000481706028 501856618 /nfs/dbraw/zinc/85/66/18/501856618.db2.gz HAWLVJFCMXPBOQ-CQSZACIVSA-N 1 2 371.393 3.010 20 5 FGBDLO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000468136940 501970092 /nfs/dbraw/zinc/97/00/92/501970092.db2.gz SZQYKBDKNUHNNJ-HNNXBMFYSA-N 1 2 370.247 3.418 20 5 FGBDLO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000468136940 501970094 /nfs/dbraw/zinc/97/00/94/501970094.db2.gz SZQYKBDKNUHNNJ-HNNXBMFYSA-N 1 2 370.247 3.418 20 5 FGBDLO CCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000464498781 502006857 /nfs/dbraw/zinc/00/68/57/502006857.db2.gz QQLZCTGDZGQJHT-CQSZACIVSA-N 1 2 373.388 3.416 20 5 FGBDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000461367111 502084694 /nfs/dbraw/zinc/08/46/94/502084694.db2.gz AYTPDYVXIMICFN-INIZCTEOSA-N 1 2 368.437 3.134 20 5 FGBDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000461367111 502084699 /nfs/dbraw/zinc/08/46/99/502084699.db2.gz AYTPDYVXIMICFN-INIZCTEOSA-N 1 2 368.437 3.134 20 5 FGBDLO COc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000478905104 502118207 /nfs/dbraw/zinc/11/82/07/502118207.db2.gz XSRHBSKPLBVDON-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO CCN1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475347329 502144592 /nfs/dbraw/zinc/14/45/92/502144592.db2.gz HQNRTTIXFFTZKN-SFHVURJKSA-N 1 2 357.458 3.320 20 5 FGBDLO CCN1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475347329 502144594 /nfs/dbraw/zinc/14/45/94/502144594.db2.gz HQNRTTIXFFTZKN-SFHVURJKSA-N 1 2 357.458 3.320 20 5 FGBDLO COCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000471855440 502155490 /nfs/dbraw/zinc/15/54/90/502155490.db2.gz GTENBGNPZGQMBY-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO COc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1C ZINC000479094079 502162277 /nfs/dbraw/zinc/16/22/77/502162277.db2.gz WEYDREPLJIFFQZ-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO Cc1cc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461716511 502177275 /nfs/dbraw/zinc/17/72/75/502177275.db2.gz FGSBJBNYGZKJRX-UHFFFAOYSA-N 1 2 369.400 3.012 20 5 FGBDLO CN(Cc1cccc(F)c1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472040794 502208270 /nfs/dbraw/zinc/20/82/70/502208270.db2.gz AECLAHIOZIWWIV-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000472350937 502324705 /nfs/dbraw/zinc/32/47/05/502324705.db2.gz ORBJKXXLJZZKMD-HXUWFJFHSA-N 1 2 371.437 3.227 20 5 FGBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000472350936 502325501 /nfs/dbraw/zinc/32/55/01/502325501.db2.gz ORBJKXXLJZZKMD-FQEVSTJZSA-N 1 2 371.437 3.227 20 5 FGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000599069953 506308097 /nfs/dbraw/zinc/30/80/97/506308097.db2.gz DFGYRDNESWUZJY-PJIJBLCYSA-N 1 2 357.410 3.306 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000596214641 506314561 /nfs/dbraw/zinc/31/45/61/506314561.db2.gz JENSPOQWHOESTB-GFCCVEGCSA-N 1 2 364.199 3.410 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)c1C ZINC000462772832 502565530 /nfs/dbraw/zinc/56/55/30/502565530.db2.gz JIFFZRDBXHYQGM-UHFFFAOYSA-N 1 2 352.350 3.355 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000487929540 502570279 /nfs/dbraw/zinc/57/02/79/502570279.db2.gz XQLXVFUBNJMXDB-UHFFFAOYSA-N 1 2 359.389 3.422 20 5 FGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC000599101569 506323974 /nfs/dbraw/zinc/32/39/74/506323974.db2.gz RAXFSRKZSHOCJU-LLVKDONJSA-N 1 2 363.215 3.450 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000470169458 502690639 /nfs/dbraw/zinc/69/06/39/502690639.db2.gz FJYUUDRFBHBOTB-SAPNQHFASA-N 1 2 365.433 3.456 20 5 FGBDLO CNc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000463170303 502711232 /nfs/dbraw/zinc/71/12/32/502711232.db2.gz KSRPNIJHKCDYII-ZDUSSCGKSA-N 1 2 374.466 3.217 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000466925886 502728607 /nfs/dbraw/zinc/72/86/07/502728607.db2.gz PPSUYHLNTRIPAX-INIZCTEOSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000466925886 502728611 /nfs/dbraw/zinc/72/86/11/502728611.db2.gz PPSUYHLNTRIPAX-INIZCTEOSA-N 1 2 369.421 3.379 20 5 FGBDLO CCc1cc(NCC2(CCO)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467010408 502757586 /nfs/dbraw/zinc/75/75/86/502757586.db2.gz GUJOXOMSGIPYGI-UHFFFAOYSA-N 1 2 370.453 3.391 20 5 FGBDLO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000495450156 502840870 /nfs/dbraw/zinc/84/08/70/502840870.db2.gz LJQLUALQCWDMKE-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO Cc1cc(C)n(-c2ccc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000495450156 502840872 /nfs/dbraw/zinc/84/08/72/502840872.db2.gz LJQLUALQCWDMKE-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488994637 502856740 /nfs/dbraw/zinc/85/67/40/502856740.db2.gz RREGDYXZRWYHGC-LLVKDONJSA-N 1 2 374.426 3.301 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505470317 502910448 /nfs/dbraw/zinc/91/04/48/502910448.db2.gz ZNGFHGLNDJGQBT-MRXNPFEDSA-N 1 2 363.776 3.174 20 5 FGBDLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000497076504 502919238 /nfs/dbraw/zinc/91/92/38/502919238.db2.gz GKEMJWZLRKORQU-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505508160 502920949 /nfs/dbraw/zinc/92/09/49/502920949.db2.gz UUINREIELOJETH-GOSISDBHSA-N 1 2 368.368 3.002 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000489426616 502955372 /nfs/dbraw/zinc/95/53/72/502955372.db2.gz BEVYULITOLXRHF-HNNXBMFYSA-N 1 2 360.458 3.316 20 5 FGBDLO Cc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000490090797 503107857 /nfs/dbraw/zinc/10/78/57/503107857.db2.gz OPBFVLSHNOJTPT-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO CCOCCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506458717 503118565 /nfs/dbraw/zinc/11/85/65/503118565.db2.gz DSHVIVRWILXZJS-UHFFFAOYSA-N 1 2 359.426 3.009 20 5 FGBDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)sc2C1 ZINC000510522955 503133373 /nfs/dbraw/zinc/13/33/73/503133373.db2.gz RUTBEFYRQSUUSN-CQSZACIVSA-N 1 2 372.494 3.498 20 5 FGBDLO O=[N+]([O-])c1ccsc1N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000588840132 506353735 /nfs/dbraw/zinc/35/37/35/506353735.db2.gz PCAPXEXZZPODKA-ZDUSSCGKSA-N 1 2 360.439 3.309 20 5 FGBDLO Cc1ccsc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000514617440 503149791 /nfs/dbraw/zinc/14/97/91/503149791.db2.gz KRKRKHYGABYSMI-UHFFFAOYSA-N 1 2 361.467 3.433 20 5 FGBDLO Cc1cccn2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])n[nH]4)cc3)[nH+]c12 ZINC000506672764 503153765 /nfs/dbraw/zinc/15/37/65/503153765.db2.gz DEJIDLLSUVUATE-UHFFFAOYSA-N 1 2 362.349 3.193 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1[nH+]cnc2c1cnn2C ZINC000511090562 503252226 /nfs/dbraw/zinc/25/22/26/503252226.db2.gz MYCJXORRBDRZIE-UHFFFAOYSA-N 1 2 359.411 3.351 20 5 FGBDLO Cc1c[nH]c(C(C)(C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000515066771 503264310 /nfs/dbraw/zinc/26/43/10/503264310.db2.gz UYMKPKUCLJUVQP-UHFFFAOYSA-N 1 2 368.846 3.423 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180823 506362864 /nfs/dbraw/zinc/36/28/64/506362864.db2.gz ZTTCECOWEJVPEE-UHFFFAOYSA-N 1 2 371.828 3.447 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492557238 503374763 /nfs/dbraw/zinc/37/47/63/503374763.db2.gz ICCYXHNOEQESBB-MRXNPFEDSA-N 1 2 354.341 3.319 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000511856665 503401233 /nfs/dbraw/zinc/40/12/33/503401233.db2.gz AJTKDBDNVJPPFK-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO Cc1csc(C2([NH2+]CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCC2)n1 ZINC000494811318 503614649 /nfs/dbraw/zinc/61/46/49/503614649.db2.gz VOEJZDFFDXDNSB-UHFFFAOYSA-N 1 2 360.439 3.276 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000517064557 503654440 /nfs/dbraw/zinc/65/44/40/503654440.db2.gz AGSIJVCPDLVAGY-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000517064557 503654447 /nfs/dbraw/zinc/65/44/47/503654447.db2.gz AGSIJVCPDLVAGY-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533291018 503792867 /nfs/dbraw/zinc/79/28/67/503792867.db2.gz RVZCFAWZLNYCEG-GMTAPVOTSA-N 1 2 357.863 3.401 20 5 FGBDLO C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296062 503797728 /nfs/dbraw/zinc/79/77/28/503797728.db2.gz UFYYYDLDQAISQF-ZJUUUORDSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296062 503797735 /nfs/dbraw/zinc/79/77/35/503797735.db2.gz UFYYYDLDQAISQF-ZJUUUORDSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000517915071 503865708 /nfs/dbraw/zinc/86/57/08/503865708.db2.gz SMZOBHUBGWALRA-OAHLLOKOSA-N 1 2 368.437 3.400 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000530428706 503962324 /nfs/dbraw/zinc/96/23/24/503962324.db2.gz RXTIZGMKEVSRJR-GHMZBOCLSA-N 1 2 374.426 3.056 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518526099 504009220 /nfs/dbraw/zinc/00/92/20/504009220.db2.gz GIBUTUDGBFBGJO-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518526099 504009226 /nfs/dbraw/zinc/00/92/26/504009226.db2.gz GIBUTUDGBFBGJO-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000541567743 504179579 /nfs/dbraw/zinc/17/95/79/504179579.db2.gz NBCYGJOOVVSFNP-ZDUSSCGKSA-N 1 2 367.409 3.343 20 5 FGBDLO Cc1cc(N2CCc3nc(C)ncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519938132 504388401 /nfs/dbraw/zinc/38/84/01/504388401.db2.gz NGGDVKCNNQTJQT-UHFFFAOYSA-N 1 2 362.393 3.021 20 5 FGBDLO CS[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000542203466 504403592 /nfs/dbraw/zinc/40/35/92/504403592.db2.gz BBKNCVGQCZVJMS-OAHLLOKOSA-N 1 2 362.455 3.288 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168505 504709595 /nfs/dbraw/zinc/70/95/95/504709595.db2.gz NFZXERJOZDBUAL-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168505 504709600 /nfs/dbraw/zinc/70/96/00/504709600.db2.gz NFZXERJOZDBUAL-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc(OC)c1OC ZINC000559146654 504791886 /nfs/dbraw/zinc/79/18/86/504791886.db2.gz ALJLTIQYILNOGL-LLVKDONJSA-N 1 2 362.382 3.177 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000559185860 504798408 /nfs/dbraw/zinc/79/84/08/504798408.db2.gz IBFIILOODMGTDA-MRXNPFEDSA-N 1 2 371.441 3.285 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000559236345 504805113 /nfs/dbraw/zinc/80/51/13/504805113.db2.gz UAHNADVWUAMZGP-UHFFFAOYSA-N 1 2 351.366 3.177 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000559302658 504826211 /nfs/dbraw/zinc/82/62/11/504826211.db2.gz QTCNEJPNYLVMHZ-ZDUSSCGKSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000559302658 504826214 /nfs/dbraw/zinc/82/62/14/504826214.db2.gz QTCNEJPNYLVMHZ-ZDUSSCGKSA-N 1 2 373.384 3.171 20 5 FGBDLO C[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000559390285 504852592 /nfs/dbraw/zinc/85/25/92/504852592.db2.gz LGLORMSEACXDQK-CYBMUJFWSA-N 1 2 350.378 3.405 20 5 FGBDLO Cc1cc(N2CC[C@@H](COC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553306036 504878599 /nfs/dbraw/zinc/87/85/99/504878599.db2.gz SFXWVEGIXWYTDG-GFCCVEGCSA-N 1 2 364.352 3.426 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000549813933 504905355 /nfs/dbraw/zinc/90/53/55/504905355.db2.gz VYHWOHKGPSAQIM-AWEZNQCLSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000549813933 504905356 /nfs/dbraw/zinc/90/53/56/504905356.db2.gz VYHWOHKGPSAQIM-AWEZNQCLSA-N 1 2 357.385 3.470 20 5 FGBDLO CC(=O)Nc1ccc(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556894561 505009583 /nfs/dbraw/zinc/00/95/83/505009583.db2.gz DLPHJXFOKDGNCL-GOSISDBHSA-N 1 2 365.393 3.488 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000550473647 505051324 /nfs/dbraw/zinc/05/13/24/505051324.db2.gz BCYKUSAVVDGRDR-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO CCc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000550474619 505051405 /nfs/dbraw/zinc/05/14/05/505051405.db2.gz KIZIOGIBZCUBFR-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000557498168 505150253 /nfs/dbraw/zinc/15/02/53/505150253.db2.gz VQQIIWHIZDYONI-IBGZPJMESA-N 1 2 372.428 3.296 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000561134920 505259301 /nfs/dbraw/zinc/25/93/01/505259301.db2.gz HBKPUAWUDBLPJJ-KRWDZBQOSA-N 1 2 364.405 3.499 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCSCC1 ZINC000555073635 505342231 /nfs/dbraw/zinc/34/22/31/505342231.db2.gz FHTVSPFHOQSOGH-UHFFFAOYSA-N 1 2 371.890 3.082 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCSCC1 ZINC000555073635 505342233 /nfs/dbraw/zinc/34/22/33/505342233.db2.gz FHTVSPFHOQSOGH-UHFFFAOYSA-N 1 2 371.890 3.082 20 5 FGBDLO O=C1NCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000552357514 505470781 /nfs/dbraw/zinc/47/07/81/505470781.db2.gz CVDZXMCLWUYXCM-HUQFFUELSA-N 1 2 365.433 3.041 20 5 FGBDLO O=C1NCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000552357514 505470786 /nfs/dbraw/zinc/47/07/86/505470786.db2.gz CVDZXMCLWUYXCM-HUQFFUELSA-N 1 2 365.433 3.041 20 5 FGBDLO CCc1c(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000558733178 505476790 /nfs/dbraw/zinc/47/67/90/505476790.db2.gz WMIMBLDLQSZENP-UHFFFAOYSA-N 1 2 371.437 3.354 20 5 FGBDLO CCc1c(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000558733178 505476794 /nfs/dbraw/zinc/47/67/94/505476794.db2.gz WMIMBLDLQSZENP-UHFFFAOYSA-N 1 2 371.437 3.354 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000558744317 505481345 /nfs/dbraw/zinc/48/13/45/505481345.db2.gz YIVQAILVJCDZQS-HNNXBMFYSA-N 1 2 372.322 3.381 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000558744317 505481349 /nfs/dbraw/zinc/48/13/49/505481349.db2.gz YIVQAILVJCDZQS-HNNXBMFYSA-N 1 2 372.322 3.381 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000567790126 505563181 /nfs/dbraw/zinc/56/31/81/505563181.db2.gz PEOXRQWYIAYJNH-LBPRGKRZSA-N 1 2 368.842 3.108 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000567790126 505563183 /nfs/dbraw/zinc/56/31/83/505563183.db2.gz PEOXRQWYIAYJNH-LBPRGKRZSA-N 1 2 368.842 3.108 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000588982513 506404513 /nfs/dbraw/zinc/40/45/13/506404513.db2.gz VLQXFIXBNHUAKP-UHFFFAOYSA-N 1 2 356.378 3.367 20 5 FGBDLO CCOc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000588982513 506404516 /nfs/dbraw/zinc/40/45/16/506404516.db2.gz VLQXFIXBNHUAKP-UHFFFAOYSA-N 1 2 356.378 3.367 20 5 FGBDLO C[C@@]1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596478501 506426985 /nfs/dbraw/zinc/42/69/85/506426985.db2.gz OLQYEFZXRIDJDW-MRXNPFEDSA-N 1 2 355.385 3.274 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551294 506496025 /nfs/dbraw/zinc/49/60/25/506496025.db2.gz LMIPBBXXSYRAAR-UHFFFAOYSA-N 1 2 357.357 3.053 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551294 506496032 /nfs/dbraw/zinc/49/60/32/506496032.db2.gz LMIPBBXXSYRAAR-UHFFFAOYSA-N 1 2 357.357 3.053 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599585407 506512132 /nfs/dbraw/zinc/51/21/32/506512132.db2.gz YSTJHUBKBKFBKW-SWLSCSKDSA-N 1 2 350.415 3.100 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599585407 506512136 /nfs/dbraw/zinc/51/21/36/506512136.db2.gz YSTJHUBKBKFBKW-SWLSCSKDSA-N 1 2 350.415 3.100 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591489 506518022 /nfs/dbraw/zinc/51/80/22/506518022.db2.gz UWODWMJOJGBMLA-JSGCOSHPSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591489 506518026 /nfs/dbraw/zinc/51/80/26/506518026.db2.gz UWODWMJOJGBMLA-JSGCOSHPSA-N 1 2 374.441 3.271 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621603 506532716 /nfs/dbraw/zinc/53/27/16/506532716.db2.gz BPUIADFHTIUNEC-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621603 506532724 /nfs/dbraw/zinc/53/27/24/506532724.db2.gz BPUIADFHTIUNEC-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO NC(=O)c1ccnc(Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000589572696 506588503 /nfs/dbraw/zinc/58/85/03/506588503.db2.gz PGEZUGMGZNQINQ-UHFFFAOYSA-N 1 2 351.322 3.020 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOc4ccccc4C3)o2)cc1 ZINC000603869830 506644012 /nfs/dbraw/zinc/64/40/12/506644012.db2.gz OPMQLFBVRDOWBW-UHFFFAOYSA-N 1 2 352.350 3.039 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOc4ccccc4C3)o2)cc1 ZINC000603869830 506644016 /nfs/dbraw/zinc/64/40/16/506644016.db2.gz OPMQLFBVRDOWBW-UHFFFAOYSA-N 1 2 352.350 3.039 20 5 FGBDLO Nc1c(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097266 506773098 /nfs/dbraw/zinc/77/30/98/506773098.db2.gz FRXGODFLNKCFIN-NSHDSACASA-N 1 2 364.793 3.313 20 5 FGBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609417872 506877463 /nfs/dbraw/zinc/87/74/63/506877463.db2.gz ZZUVTZQYRNWIOP-UHFFFAOYSA-N 1 2 366.364 3.400 20 5 FGBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609417872 506877469 /nfs/dbraw/zinc/87/74/69/506877469.db2.gz ZZUVTZQYRNWIOP-UHFFFAOYSA-N 1 2 366.364 3.400 20 5 FGBDLO CC(C)n1cc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000609568080 506925451 /nfs/dbraw/zinc/92/54/51/506925451.db2.gz YDOSLPBUJMBHCA-ZDUSSCGKSA-N 1 2 368.397 3.049 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609618999 506949750 /nfs/dbraw/zinc/94/97/50/506949750.db2.gz YCNXGWGWHOKKBA-UHFFFAOYSA-N 1 2 351.366 3.095 20 5 FGBDLO COc1cc(C[NH+]2CC(C(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000590968801 507066356 /nfs/dbraw/zinc/06/63/56/507066356.db2.gz QVOSGMAWBFXTPD-UHFFFAOYSA-N 1 2 370.274 3.241 20 5 FGBDLO O=C(C[N@@H+]1CCC12CCC2)Nc1cc(N2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000591016440 507079252 /nfs/dbraw/zinc/07/92/52/507079252.db2.gz SRIUSUBQPOLRAF-UHFFFAOYSA-N 1 2 370.453 3.295 20 5 FGBDLO O=C(C[N@H+]1CCC12CCC2)Nc1cc(N2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000591016440 507079254 /nfs/dbraw/zinc/07/92/54/507079254.db2.gz SRIUSUBQPOLRAF-UHFFFAOYSA-N 1 2 370.453 3.295 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000591051114 507093589 /nfs/dbraw/zinc/09/35/89/507093589.db2.gz IVBCCUFFPBWEFY-HNNXBMFYSA-N 1 2 358.398 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCCC2 ZINC000594510923 507163721 /nfs/dbraw/zinc/16/37/21/507163721.db2.gz MNLNQYQPDIHQAV-HOTGVXAUSA-N 1 2 357.414 3.122 20 5 FGBDLO Cc1[nH+]cn(CCCCc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1C ZINC000594533656 507175422 /nfs/dbraw/zinc/17/54/22/507175422.db2.gz DEGAMNZCFMTGHZ-UHFFFAOYSA-N 1 2 357.370 3.187 20 5 FGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094174 507388252 /nfs/dbraw/zinc/38/82/52/507388252.db2.gz HSQRPZKNBUZOTD-ROUUACIJSA-N 1 2 358.442 3.213 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC000598402181 507412814 /nfs/dbraw/zinc/41/28/14/507412814.db2.gz ZOODBDZFPCQSGM-MRXNPFEDSA-N 1 2 354.410 3.433 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000595466819 507512075 /nfs/dbraw/zinc/51/20/75/507512075.db2.gz NDAWCSPTYXIJBF-ZDUSSCGKSA-N 1 2 374.290 3.456 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614530625 507554125 /nfs/dbraw/zinc/55/41/25/507554125.db2.gz NMSLXKOOOWKUMS-HNNXBMFYSA-N 1 2 357.435 3.102 20 5 FGBDLO COC(=O)C[C@H]1CCCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611338140 507628150 /nfs/dbraw/zinc/62/81/50/507628150.db2.gz ZEEZKZLCTSQJOY-MRXNPFEDSA-N 1 2 370.409 3.282 20 5 FGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nnc2n1CCCCC2 ZINC000595798334 507692743 /nfs/dbraw/zinc/69/27/43/507692743.db2.gz BVPHTMNGLORGBC-OAHLLOKOSA-N 1 2 359.430 3.162 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595815220 507697248 /nfs/dbraw/zinc/69/72/48/507697248.db2.gz MVRNTPMBCBTTRZ-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595815220 507697254 /nfs/dbraw/zinc/69/72/54/507697254.db2.gz MVRNTPMBCBTTRZ-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC3(C2)CCOCC3)cc1Br ZINC000602488019 507724884 /nfs/dbraw/zinc/72/48/84/507724884.db2.gz YITWCZOAMKTZJB-UHFFFAOYSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC3(C2)CCOCC3)cc1Br ZINC000602488019 507724893 /nfs/dbraw/zinc/72/48/93/507724893.db2.gz YITWCZOAMKTZJB-UHFFFAOYSA-N 1 2 361.261 3.421 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611563426 507741353 /nfs/dbraw/zinc/74/13/53/507741353.db2.gz WJPKZJYVGRDVDQ-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611563426 507741358 /nfs/dbraw/zinc/74/13/58/507741358.db2.gz WJPKZJYVGRDVDQ-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000153754340 705011378 /nfs/dbraw/zinc/01/13/78/705011378.db2.gz UBHYUYGKVWIGJO-ROUUACIJSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000153754340 705011385 /nfs/dbraw/zinc/01/13/85/705011385.db2.gz UBHYUYGKVWIGJO-ROUUACIJSA-N 1 2 362.813 3.355 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000184108280 705918209 /nfs/dbraw/zinc/91/82/09/705918209.db2.gz TTWCPUXRFNPUDQ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000184108280 705918210 /nfs/dbraw/zinc/91/82/10/705918210.db2.gz TTWCPUXRFNPUDQ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880030 722538903 /nfs/dbraw/zinc/53/89/03/722538903.db2.gz RWLKIFYVQDAKPD-WCQYABFASA-N 1 2 355.460 3.391 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880030 722538904 /nfs/dbraw/zinc/53/89/04/722538904.db2.gz RWLKIFYVQDAKPD-WCQYABFASA-N 1 2 355.460 3.391 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753623515 722907461 /nfs/dbraw/zinc/90/74/61/722907461.db2.gz MJBKZJUSBYLXHM-GJZGRUSLSA-N 1 2 358.316 3.352 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1Br ZINC000758479685 722990514 /nfs/dbraw/zinc/99/05/14/722990514.db2.gz KSHDBJFILUCTQH-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000793367370 723431335 /nfs/dbraw/zinc/43/13/35/723431335.db2.gz ZNYXEIOUBLDTBI-UHFFFAOYSA-N 1 2 369.215 3.253 20 5 FGBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000793367370 723431337 /nfs/dbraw/zinc/43/13/37/723431337.db2.gz ZNYXEIOUBLDTBI-UHFFFAOYSA-N 1 2 369.215 3.253 20 5 FGBDLO CCC1(CC)C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCS1 ZINC000794643304 723537667 /nfs/dbraw/zinc/53/76/67/723537667.db2.gz QMMILZDUMZNXCL-UHFFFAOYSA-N 1 2 351.428 3.068 20 5 FGBDLO CCC1(CC)C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCS1 ZINC000794643304 723537669 /nfs/dbraw/zinc/53/76/69/723537669.db2.gz QMMILZDUMZNXCL-UHFFFAOYSA-N 1 2 351.428 3.068 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)nc1-c1ccncc1 ZINC000766117292 723556852 /nfs/dbraw/zinc/55/68/52/723556852.db2.gz GNVNXRIZWUOUBJ-LLVKDONJSA-N 1 2 355.320 3.085 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](CC(F)(F)F)C2)nc1-c1ccncc1 ZINC000766117292 723556853 /nfs/dbraw/zinc/55/68/53/723556853.db2.gz GNVNXRIZWUOUBJ-LLVKDONJSA-N 1 2 355.320 3.085 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769846500 723697752 /nfs/dbraw/zinc/69/77/52/723697752.db2.gz MIIVAXMDWWVHQI-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769846500 723697753 /nfs/dbraw/zinc/69/77/53/723697753.db2.gz MIIVAXMDWWVHQI-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771929170 723745817 /nfs/dbraw/zinc/74/58/17/723745817.db2.gz UDISUDUHGIDEPE-NSHDSACASA-N 1 2 371.231 3.132 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771929170 723745818 /nfs/dbraw/zinc/74/58/18/723745818.db2.gz UDISUDUHGIDEPE-NSHDSACASA-N 1 2 371.231 3.132 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805763721 725092857 /nfs/dbraw/zinc/09/28/57/725092857.db2.gz WBLAWOOGPKUFGX-HNNXBMFYSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805763721 725092860 /nfs/dbraw/zinc/09/28/60/725092860.db2.gz WBLAWOOGPKUFGX-HNNXBMFYSA-N 1 2 353.394 3.177 20 5 FGBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809713954 725261835 /nfs/dbraw/zinc/26/18/35/725261835.db2.gz RPUGVNIVEPPARC-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809713954 725261838 /nfs/dbraw/zinc/26/18/38/725261838.db2.gz RPUGVNIVEPPARC-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017165 725282490 /nfs/dbraw/zinc/28/24/90/725282490.db2.gz NNOSAHOPRYQOKC-SMDDNHRTSA-N 1 2 374.268 3.197 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811803688 725380836 /nfs/dbraw/zinc/38/08/36/725380836.db2.gz PJLQIAKEMMLTEI-AWEZNQCLSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811803688 725380838 /nfs/dbraw/zinc/38/08/38/725380838.db2.gz PJLQIAKEMMLTEI-AWEZNQCLSA-N 1 2 360.805 3.007 20 5 FGBDLO CCc1ncsc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172448 726846273 /nfs/dbraw/zinc/84/62/73/726846273.db2.gz IBGJMEGVDZXTHT-AWEZNQCLSA-N 1 2 361.423 3.045 20 5 FGBDLO CCc1ncsc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172448 726846279 /nfs/dbraw/zinc/84/62/79/726846279.db2.gz IBGJMEGVDZXTHT-AWEZNQCLSA-N 1 2 361.423 3.045 20 5 FGBDLO C[C@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000821924703 729132701 /nfs/dbraw/zinc/13/27/01/729132701.db2.gz RHTMKZCYDLBEIN-HUUCEWRRSA-N 1 2 353.737 3.252 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831773422 729666880 /nfs/dbraw/zinc/66/68/80/729666880.db2.gz NMJVBTXBMVIYLE-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831773422 729666883 /nfs/dbraw/zinc/66/68/83/729666883.db2.gz NMJVBTXBMVIYLE-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000865804453 733272431 /nfs/dbraw/zinc/27/24/31/733272431.db2.gz ZOIQEQGBPSQBHB-UHFFFAOYSA-N 1 2 354.332 3.436 20 5 FGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000867628254 733502165 /nfs/dbraw/zinc/50/21/65/733502165.db2.gz UTMYWJIRADJVSA-UHFFFAOYSA-N 1 2 353.375 3.124 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000872803367 735678979 /nfs/dbraw/zinc/67/89/79/735678979.db2.gz BJEVAWNFWXPKCD-CQSZACIVSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000872803367 735678982 /nfs/dbraw/zinc/67/89/82/735678982.db2.gz BJEVAWNFWXPKCD-CQSZACIVSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c2nccn21 ZINC000883295535 737548461 /nfs/dbraw/zinc/54/84/61/737548461.db2.gz LOLVRTZRTJZXNP-BXKDBHETSA-N 1 2 351.204 3.349 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000885969641 739204431 /nfs/dbraw/zinc/20/44/31/739204431.db2.gz YRSLOBIXANXJPB-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CC(F)F)C1CCC1 ZINC000887100933 739330293 /nfs/dbraw/zinc/33/02/93/739330293.db2.gz XWQXJZMNWBUKKU-UHFFFAOYSA-N 1 2 355.341 3.012 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100933 739330297 /nfs/dbraw/zinc/33/02/97/739330297.db2.gz XWQXJZMNWBUKKU-UHFFFAOYSA-N 1 2 355.341 3.012 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891511302 739909280 /nfs/dbraw/zinc/90/92/80/739909280.db2.gz SXQBYGPUEBILKF-UHFFFAOYSA-N 1 2 352.412 3.019 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891511302 739909282 /nfs/dbraw/zinc/90/92/82/739909282.db2.gz SXQBYGPUEBILKF-UHFFFAOYSA-N 1 2 352.412 3.019 20 5 FGBDLO CC[C@@H]([NH2+]Cc1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000903317157 743836242 /nfs/dbraw/zinc/83/62/42/743836242.db2.gz AQYYIZSHGCAJEI-CYBMUJFWSA-N 1 2 351.204 3.388 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000906543634 744141592 /nfs/dbraw/zinc/14/15/92/744141592.db2.gz XGYNUJDECUFNKF-ZDUSSCGKSA-N 1 2 362.817 3.310 20 5 FGBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000917615212 758250237 /nfs/dbraw/zinc/25/02/37/758250237.db2.gz IUSJBSOOXHBIAM-WZRBSPASSA-N 1 2 357.252 3.412 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000917615212 758250243 /nfs/dbraw/zinc/25/02/43/758250243.db2.gz IUSJBSOOXHBIAM-WZRBSPASSA-N 1 2 357.252 3.412 20 5 FGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927105342 759892513 /nfs/dbraw/zinc/89/25/13/759892513.db2.gz JOGXMGJCOCNZBD-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1Cl ZINC000927765346 760041013 /nfs/dbraw/zinc/04/10/13/760041013.db2.gz RZORUNKTJYPLKQ-UHFFFAOYSA-N 1 2 368.846 3.005 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766956 760042041 /nfs/dbraw/zinc/04/20/41/760042041.db2.gz NOMWKZHXBRMEQM-UHFFFAOYSA-N 1 2 368.846 3.005 20 5 FGBDLO O=C1NCCC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)O1 ZINC000932758956 761235916 /nfs/dbraw/zinc/23/59/16/761235916.db2.gz BVDGWIOCCYJUSQ-UHFFFAOYSA-N 1 2 374.224 3.366 20 5 FGBDLO O=C1OCCCN1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000933614022 761439889 /nfs/dbraw/zinc/43/98/89/761439889.db2.gz GEYGHGKTDHOWFZ-UHFFFAOYSA-N 1 2 353.806 3.055 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933978921 761512627 /nfs/dbraw/zinc/51/26/27/761512627.db2.gz YANIRQLCXGOACU-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933978921 761512636 /nfs/dbraw/zinc/51/26/36/761512636.db2.gz YANIRQLCXGOACU-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000023815784 257335172 /nfs/dbraw/zinc/33/51/72/257335172.db2.gz BIURJGRJPIMITB-UHFFFAOYSA-N 1 2 361.829 3.449 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533799924 503954420 /nfs/dbraw/zinc/95/44/20/503954420.db2.gz BFJLKDCWYLTKIT-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533799924 503954425 /nfs/dbraw/zinc/95/44/25/503954425.db2.gz BFJLKDCWYLTKIT-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000576882162 505615816 /nfs/dbraw/zinc/61/58/16/505615816.db2.gz AXTGYUOQFAXYLF-HDJSIYSDSA-N 1 2 370.409 3.152 20 5 FGBDLO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)[nH+]1 ZINC000057825693 493803754 /nfs/dbraw/zinc/80/37/54/493803754.db2.gz VUXWYAYRLHOVAY-UHFFFAOYSA-N 1 2 350.382 3.279 20 5 FGBDLO C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000057868566 493810450 /nfs/dbraw/zinc/81/04/50/493810450.db2.gz SWLZIVMCGMBFFC-SFHVURJKSA-N 1 2 371.462 3.202 20 5 FGBDLO C[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000057868566 493810454 /nfs/dbraw/zinc/81/04/54/493810454.db2.gz SWLZIVMCGMBFFC-SFHVURJKSA-N 1 2 371.462 3.202 20 5 FGBDLO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029142948 493819106 /nfs/dbraw/zinc/81/91/06/493819106.db2.gz IJJMJBZWBFABCV-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029142948 493819108 /nfs/dbraw/zinc/81/91/08/493819108.db2.gz IJJMJBZWBFABCV-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068481016 493828207 /nfs/dbraw/zinc/82/82/07/493828207.db2.gz XAYPPIGRJYURRT-UHFFFAOYSA-N 1 2 357.292 3.018 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cn21 ZINC000068570019 493843516 /nfs/dbraw/zinc/84/35/16/493843516.db2.gz UCIXBDCYRQDRLM-ZDUSSCGKSA-N 1 2 370.434 3.348 20 5 FGBDLO CC(=O)c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029585358 493845427 /nfs/dbraw/zinc/84/54/27/493845427.db2.gz CGHLDMZVNTXWJB-UHFFFAOYSA-N 1 2 368.437 3.032 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000058398564 493849550 /nfs/dbraw/zinc/84/95/50/493849550.db2.gz IQDNEUWMIHKPBC-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000068838125 493882421 /nfs/dbraw/zinc/88/24/21/493882421.db2.gz VAEWLQOZMKQRNX-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000068838125 493882426 /nfs/dbraw/zinc/88/24/26/493882426.db2.gz VAEWLQOZMKQRNX-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000069080998 493917014 /nfs/dbraw/zinc/91/70/14/493917014.db2.gz YVZIXDSBSVQEDN-ZDUSSCGKSA-N 1 2 353.382 3.111 20 5 FGBDLO CN1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc21 ZINC000069091060 493919908 /nfs/dbraw/zinc/91/99/08/493919908.db2.gz DCAPEZFXXWGGHK-UHFFFAOYSA-N 1 2 374.828 3.139 20 5 FGBDLO CN1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc21 ZINC000069091060 493919910 /nfs/dbraw/zinc/91/99/10/493919910.db2.gz DCAPEZFXXWGGHK-UHFFFAOYSA-N 1 2 374.828 3.139 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000081808878 493958286 /nfs/dbraw/zinc/95/82/86/493958286.db2.gz MNUFHHSOYDZLMQ-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COCc2ccccc2F)cc1 ZINC000051451885 493970443 /nfs/dbraw/zinc/97/04/43/493970443.db2.gz ABXXZAWJWNIZQZ-KRWDZBQOSA-N 1 2 371.368 3.175 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000051824213 493989604 /nfs/dbraw/zinc/98/96/04/493989604.db2.gz BXMBUDZWMLBELF-UHFFFAOYSA-N 1 2 359.451 3.047 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000033223046 494052591 /nfs/dbraw/zinc/05/25/91/494052591.db2.gz JRHKWHYDOGQHKW-GFCCVEGCSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)on1 ZINC000052822086 494064771 /nfs/dbraw/zinc/06/47/71/494064771.db2.gz ZDPXDOUTXBTJOH-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)on1 ZINC000052822086 494064776 /nfs/dbraw/zinc/06/47/76/494064776.db2.gz ZDPXDOUTXBTJOH-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053125150 494096222 /nfs/dbraw/zinc/09/62/22/494096222.db2.gz QXAQQDVBPCLMMQ-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053125150 494096227 /nfs/dbraw/zinc/09/62/27/494096227.db2.gz QXAQQDVBPCLMMQ-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000053191469 494103398 /nfs/dbraw/zinc/10/33/98/494103398.db2.gz PTKPNWVBUZWXMB-UHFFFAOYSA-N 1 2 371.412 3.043 20 5 FGBDLO CCc1nc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000072581381 494209684 /nfs/dbraw/zinc/20/96/84/494209684.db2.gz ATYJRIXNBJGXFK-CQSZACIVSA-N 1 2 360.483 3.493 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000054516350 494243056 /nfs/dbraw/zinc/24/30/56/494243056.db2.gz IRVIRZSUBCZDRG-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000065864933 494249109 /nfs/dbraw/zinc/24/91/09/494249109.db2.gz YQERBVCNWMHDGV-UHFFFAOYSA-N 1 2 352.394 3.222 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605551 494251928 /nfs/dbraw/zinc/25/19/28/494251928.db2.gz NSPJXCWSQZBTQJ-HUUCEWRRSA-N 1 2 353.422 3.219 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605551 494251932 /nfs/dbraw/zinc/25/19/32/494251932.db2.gz NSPJXCWSQZBTQJ-HUUCEWRRSA-N 1 2 353.422 3.219 20 5 FGBDLO Cc1cnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000078659572 494339402 /nfs/dbraw/zinc/33/94/02/494339402.db2.gz VUXQMPQLAKDONL-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000073314354 494356949 /nfs/dbraw/zinc/35/69/49/494356949.db2.gz HFEPATDNAUQDNL-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1-c1ccccc1 ZINC000090065826 494435897 /nfs/dbraw/zinc/43/58/97/494435897.db2.gz NTMXMNDVSNRNSF-UHFFFAOYSA-N 1 2 361.405 3.378 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000067031571 494458340 /nfs/dbraw/zinc/45/83/40/494458340.db2.gz KSVPHRMHSAHMIQ-KRWDZBQOSA-N 1 2 350.378 3.156 20 5 FGBDLO CC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000022344157 494520329 /nfs/dbraw/zinc/52/03/29/494520329.db2.gz JZEJVGRCLDOAOH-UHFFFAOYSA-N 1 2 361.442 3.244 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599439 494539646 /nfs/dbraw/zinc/53/96/46/494539646.db2.gz RSQMHNALFYUIHY-MRXNPFEDSA-N 1 2 355.438 3.382 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599439 494539650 /nfs/dbraw/zinc/53/96/50/494539650.db2.gz RSQMHNALFYUIHY-MRXNPFEDSA-N 1 2 355.438 3.382 20 5 FGBDLO CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131366199 494596005 /nfs/dbraw/zinc/59/60/05/494596005.db2.gz JSJKRFMPDVCQKG-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131366199 494596012 /nfs/dbraw/zinc/59/60/12/494596012.db2.gz JSJKRFMPDVCQKG-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121316188 494696751 /nfs/dbraw/zinc/69/67/51/494696751.db2.gz AAODBUMQLVBQFV-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1csc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121316188 494696754 /nfs/dbraw/zinc/69/67/54/494696754.db2.gz AAODBUMQLVBQFV-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO COc1cc(F)c([N+](=O)[O-])c(NCCc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000092656007 494698697 /nfs/dbraw/zinc/69/86/97/494698697.db2.gz SWDIIQQLOHQPGO-UHFFFAOYSA-N 1 2 362.336 3.423 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091892611 494715964 /nfs/dbraw/zinc/71/59/64/494715964.db2.gz GCOXGNMRHZXJRM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091892611 494715973 /nfs/dbraw/zinc/71/59/73/494715973.db2.gz GCOXGNMRHZXJRM-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000091920704 494721396 /nfs/dbraw/zinc/72/13/96/494721396.db2.gz UVGCTWBMWXEVSN-WBVHZDCISA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000091920704 494721405 /nfs/dbraw/zinc/72/14/05/494721405.db2.gz UVGCTWBMWXEVSN-WBVHZDCISA-N 1 2 362.451 3.289 20 5 FGBDLO C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067999170 494724331 /nfs/dbraw/zinc/72/43/31/494724331.db2.gz QUWQDPCLMVIVLQ-ZDUSSCGKSA-N 1 2 351.366 3.009 20 5 FGBDLO Cc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 ZINC000092736991 494730731 /nfs/dbraw/zinc/73/07/31/494730731.db2.gz AIAPLRBTYYGIEZ-UHFFFAOYSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n[nH]1 ZINC000092736991 494730738 /nfs/dbraw/zinc/73/07/38/494730738.db2.gz AIAPLRBTYYGIEZ-UHFFFAOYSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)[nH]1 ZINC000092736991 494730740 /nfs/dbraw/zinc/73/07/40/494730740.db2.gz AIAPLRBTYYGIEZ-UHFFFAOYSA-N 1 2 367.356 3.002 20 5 FGBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000121569637 494806020 /nfs/dbraw/zinc/80/60/20/494806020.db2.gz KVBZVCYTPGMLLO-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000121569637 494806026 /nfs/dbraw/zinc/80/60/26/494806026.db2.gz KVBZVCYTPGMLLO-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO O=C(NC1(c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126806054 494841514 /nfs/dbraw/zinc/84/15/14/494841514.db2.gz YFZQOFAJRUOQLU-UHFFFAOYSA-N 1 2 366.352 3.339 20 5 FGBDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027371859 494864873 /nfs/dbraw/zinc/86/48/73/494864873.db2.gz AXXAYERVYJMSDG-LBPRGKRZSA-N 1 2 357.435 3.165 20 5 FGBDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027371859 494864878 /nfs/dbraw/zinc/86/48/78/494864878.db2.gz AXXAYERVYJMSDG-LBPRGKRZSA-N 1 2 357.435 3.165 20 5 FGBDLO CC(C)c1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392509 494884736 /nfs/dbraw/zinc/88/47/36/494884736.db2.gz CJKIOCWQCVUEFV-ZDUSSCGKSA-N 1 2 354.472 3.116 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392509 494884740 /nfs/dbraw/zinc/88/47/40/494884740.db2.gz CJKIOCWQCVUEFV-ZDUSSCGKSA-N 1 2 354.472 3.116 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563166 505752754 /nfs/dbraw/zinc/75/27/54/505752754.db2.gz DMOQKMCAIXDNJC-JQFCIGGWSA-N 1 2 361.442 3.120 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563166 505752755 /nfs/dbraw/zinc/75/27/55/505752755.db2.gz DMOQKMCAIXDNJC-JQFCIGGWSA-N 1 2 361.442 3.120 20 5 FGBDLO CCOC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000122989555 495063712 /nfs/dbraw/zinc/06/37/12/495063712.db2.gz YVLDSYKJDLBEAE-UHFFFAOYSA-N 1 2 371.231 3.132 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119040827 495077619 /nfs/dbraw/zinc/07/76/19/495077619.db2.gz YGLADCSWSDVBKY-FQEVSTJZSA-N 1 2 372.421 3.446 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119040827 495077622 /nfs/dbraw/zinc/07/76/22/495077622.db2.gz YGLADCSWSDVBKY-FQEVSTJZSA-N 1 2 372.421 3.446 20 5 FGBDLO C[N@H+](CCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000119722953 495226382 /nfs/dbraw/zinc/22/63/82/495226382.db2.gz BFZMRESHGKJWFX-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO C[N@@H+](CCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000119722953 495226386 /nfs/dbraw/zinc/22/63/86/495226386.db2.gz BFZMRESHGKJWFX-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119841818 495252342 /nfs/dbraw/zinc/25/23/42/495252342.db2.gz FQXJLXGYMJWNEY-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224813 495265953 /nfs/dbraw/zinc/26/59/53/495265953.db2.gz FHDFJNFLHKNDOR-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224813 495265958 /nfs/dbraw/zinc/26/59/58/495265958.db2.gz FHDFJNFLHKNDOR-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000129643672 495274434 /nfs/dbraw/zinc/27/44/34/495274434.db2.gz FZUHDKXROYJEFG-GFCCVEGCSA-N 1 2 363.414 3.314 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119943299 495274495 /nfs/dbraw/zinc/27/44/95/495274495.db2.gz KFXAYXZXACJWQL-AWEZNQCLSA-N 1 2 355.398 3.007 20 5 FGBDLO Cc1nc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)cc[nH+]1 ZINC000129903207 495312074 /nfs/dbraw/zinc/31/20/74/495312074.db2.gz NFUSTCZHXTYTID-UHFFFAOYSA-N 1 2 368.224 3.327 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1F ZINC000130003110 495327139 /nfs/dbraw/zinc/32/71/39/495327139.db2.gz DCVOXJSYBJKONV-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1F ZINC000130003110 495327145 /nfs/dbraw/zinc/32/71/45/495327145.db2.gz DCVOXJSYBJKONV-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000138073841 495455306 /nfs/dbraw/zinc/45/53/06/495455306.db2.gz NSBFZFWCRFGMAQ-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO NC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000179612230 495660506 /nfs/dbraw/zinc/66/05/06/495660506.db2.gz FSGFXBDANMFPMU-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO NC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000179612230 495660514 /nfs/dbraw/zinc/66/05/14/495660514.db2.gz FSGFXBDANMFPMU-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171048214 495701980 /nfs/dbraw/zinc/70/19/80/495701980.db2.gz MKNYAXJOKKIPQQ-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171048214 495701990 /nfs/dbraw/zinc/70/19/90/495701990.db2.gz MKNYAXJOKKIPQQ-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159598782 495766180 /nfs/dbraw/zinc/76/61/80/495766180.db2.gz YLVDWBPVHZISHV-QMHKHESXSA-N 1 2 352.843 3.458 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179885981 495770865 /nfs/dbraw/zinc/77/08/65/495770865.db2.gz CIGQYWHMQQVXDN-UHFFFAOYSA-N 1 2 356.325 3.472 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179885981 495770869 /nfs/dbraw/zinc/77/08/69/495770869.db2.gz CIGQYWHMQQVXDN-UHFFFAOYSA-N 1 2 356.325 3.472 20 5 FGBDLO CN1CCc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc21 ZINC000183041399 495810295 /nfs/dbraw/zinc/81/02/95/495810295.db2.gz HQEYBTRNXDVYNG-UHFFFAOYSA-N 1 2 363.377 3.025 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155036097 495812155 /nfs/dbraw/zinc/81/21/55/495812155.db2.gz OADBORUEOCPBER-MRXNPFEDSA-N 1 2 354.410 3.110 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155036097 495812161 /nfs/dbraw/zinc/81/21/61/495812161.db2.gz OADBORUEOCPBER-MRXNPFEDSA-N 1 2 354.410 3.110 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000174242929 495878808 /nfs/dbraw/zinc/87/88/08/495878808.db2.gz LLIYFDLPCVYKCY-UHFFFAOYSA-N 1 2 370.365 3.281 20 5 FGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171588963 495938192 /nfs/dbraw/zinc/93/81/92/495938192.db2.gz AJFAFEGELKEIBL-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186350264 495959423 /nfs/dbraw/zinc/95/94/23/495959423.db2.gz LGCOWZGYWTYSGN-UHFFFAOYSA-N 1 2 372.812 3.477 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186366605 495967217 /nfs/dbraw/zinc/96/72/17/495967217.db2.gz XBQZAKZVJGUQRI-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000177406076 496050718 /nfs/dbraw/zinc/05/07/18/496050718.db2.gz IEGPCWZQYHWUHD-INIZCTEOSA-N 1 2 368.220 3.392 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(COc2cc[nH+]cc2)c1 ZINC000577929831 505820336 /nfs/dbraw/zinc/82/03/36/505820336.db2.gz YMFCYWORBGXWDR-UHFFFAOYSA-N 1 2 356.119 3.173 20 5 FGBDLO Cc1c(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000155934669 496112311 /nfs/dbraw/zinc/11/23/11/496112311.db2.gz SSIPGJWECZFVQS-AWEZNQCLSA-N 1 2 355.398 3.089 20 5 FGBDLO Cc1cccn2cc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[nH+]c12 ZINC000180841431 496167087 /nfs/dbraw/zinc/16/70/87/496167087.db2.gz MLTKOUNMEPURMG-UHFFFAOYSA-N 1 2 351.366 3.048 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183954940 496175435 /nfs/dbraw/zinc/17/54/35/496175435.db2.gz VPENLULPHKCTFN-ZDUSSCGKSA-N 1 2 368.368 3.340 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1nc2ccccc2o1 ZINC000156199815 496184621 /nfs/dbraw/zinc/18/46/21/496184621.db2.gz IOUXERQLANLODD-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156199815 496184625 /nfs/dbraw/zinc/18/46/25/496184625.db2.gz IOUXERQLANLODD-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000175074417 496238298 /nfs/dbraw/zinc/23/82/98/496238298.db2.gz OZLNYPOELLEBAY-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cc2ccccc2o1 ZINC000175175797 496278008 /nfs/dbraw/zinc/27/80/08/496278008.db2.gz IUKLDAKRVVDEOH-UHFFFAOYSA-N 1 2 365.389 3.362 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cc2ccccc2o1 ZINC000175175797 496278012 /nfs/dbraw/zinc/27/80/12/496278012.db2.gz IUKLDAKRVVDEOH-UHFFFAOYSA-N 1 2 365.389 3.362 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000184231644 496297476 /nfs/dbraw/zinc/29/74/76/496297476.db2.gz DDUBRFNLCKTCBW-RUZDIDTESA-N 1 2 366.414 3.112 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000184231644 496297481 /nfs/dbraw/zinc/29/74/81/496297481.db2.gz DDUBRFNLCKTCBW-RUZDIDTESA-N 1 2 366.414 3.112 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184256155 496307088 /nfs/dbraw/zinc/30/70/88/496307088.db2.gz JRIMXEDQSYZOIA-NSHDSACASA-N 1 2 364.427 3.048 20 5 FGBDLO CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000172566668 496343006 /nfs/dbraw/zinc/34/30/06/496343006.db2.gz HSCQCLDUAZZUCH-IAGOWNOFSA-N 1 2 372.425 3.056 20 5 FGBDLO COc1cc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC000569054911 505839833 /nfs/dbraw/zinc/83/98/33/505839833.db2.gz RHRKQVKJKIQZMM-UHFFFAOYSA-N 1 2 352.272 3.415 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000162583631 496377690 /nfs/dbraw/zinc/37/76/90/496377690.db2.gz YEFGLFWZZQEQSN-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175408744 496378064 /nfs/dbraw/zinc/37/80/64/496378064.db2.gz CSMNOALFJVNTAX-NVXWUHKLSA-N 1 2 372.450 3.281 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153281456 496407184 /nfs/dbraw/zinc/40/71/84/496407184.db2.gz AKRVQKHCTYGCDG-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153281456 496407190 /nfs/dbraw/zinc/40/71/90/496407190.db2.gz AKRVQKHCTYGCDG-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178420613 496450204 /nfs/dbraw/zinc/45/02/04/496450204.db2.gz MDKZECFXSLEBLE-VWLOTQADSA-N 1 2 362.451 3.363 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178420613 496450210 /nfs/dbraw/zinc/45/02/10/496450210.db2.gz MDKZECFXSLEBLE-VWLOTQADSA-N 1 2 362.451 3.363 20 5 FGBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000184607109 496461885 /nfs/dbraw/zinc/46/18/85/496461885.db2.gz OCQDXIJHHKACAI-IINYFYTJSA-N 1 2 367.789 3.146 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc(C)c3[N+](=O)[O-])c2cc1C ZINC000153792343 496581752 /nfs/dbraw/zinc/58/17/52/496581752.db2.gz ZLKOPIBJOTWNSU-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185013864 496623493 /nfs/dbraw/zinc/62/34/93/496623493.db2.gz BAXWZJRMTFNAOM-GHMZBOCLSA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000247111313 496781805 /nfs/dbraw/zinc/78/18/05/496781805.db2.gz YAQPVHXHXWXLSL-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000247111313 496781808 /nfs/dbraw/zinc/78/18/08/496781808.db2.gz YAQPVHXHXWXLSL-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273387017 496790900 /nfs/dbraw/zinc/79/09/00/496790900.db2.gz JISWMFQSOITJHD-UHFFFAOYSA-N 1 2 359.361 3.051 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000264029435 496793887 /nfs/dbraw/zinc/79/38/87/496793887.db2.gz BTERJIOKPUDBFM-UHFFFAOYSA-N 1 2 367.409 3.363 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000195336116 496894114 /nfs/dbraw/zinc/89/41/14/496894114.db2.gz GJFIIMAGWRKUNS-UHFFFAOYSA-N 1 2 370.413 3.302 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247696780 496907353 /nfs/dbraw/zinc/90/73/53/496907353.db2.gz UAQCADHDUJLMSU-TZMCWYRMSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247696780 496907360 /nfs/dbraw/zinc/90/73/60/496907360.db2.gz UAQCADHDUJLMSU-TZMCWYRMSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189141370 497021929 /nfs/dbraw/zinc/02/19/29/497021929.db2.gz GMKXPRGXWOJLQS-INIZCTEOSA-N 1 2 367.833 3.078 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000278508307 497138692 /nfs/dbraw/zinc/13/86/92/497138692.db2.gz ONMMDHGTCMKPFB-SNVBAGLBSA-N 1 2 353.220 3.250 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c1cc(F)cc2F ZINC000192597373 497160256 /nfs/dbraw/zinc/16/02/56/497160256.db2.gz ISYWRRVXFFJLAQ-UHFFFAOYSA-N 1 2 370.315 3.262 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000192638330 497171710 /nfs/dbraw/zinc/17/17/10/497171710.db2.gz NRRSZIZECLYLRJ-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000192638330 497171714 /nfs/dbraw/zinc/17/17/14/497171714.db2.gz NRRSZIZECLYLRJ-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000266219599 497282720 /nfs/dbraw/zinc/28/27/20/497282720.db2.gz AFLMTJRDOOFXOO-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000255128874 497359343 /nfs/dbraw/zinc/35/93/43/497359343.db2.gz ALDWNRDXIGDJIK-HYXAFXHYSA-N 1 2 361.339 3.126 20 5 FGBDLO CCc1cc(N[C@H](C)CC[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266885455 497439003 /nfs/dbraw/zinc/43/90/03/497439003.db2.gz YYBKYSIEYUPEIZ-XELLLNAOSA-N 1 2 362.455 3.183 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000271832224 497463592 /nfs/dbraw/zinc/46/35/92/497463592.db2.gz XGGRZZKDNJYQOE-HNNXBMFYSA-N 1 2 368.842 3.124 20 5 FGBDLO CCS(=O)(=O)CCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000190753309 497594011 /nfs/dbraw/zinc/59/40/11/497594011.db2.gz UFXNEYWESGAFGB-UHFFFAOYSA-N 1 2 362.879 3.285 20 5 FGBDLO CCS(=O)(=O)CCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000190753309 497594017 /nfs/dbraw/zinc/59/40/17/497594017.db2.gz UFXNEYWESGAFGB-UHFFFAOYSA-N 1 2 362.879 3.285 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338334 497600634 /nfs/dbraw/zinc/60/06/34/497600634.db2.gz YCMZHSJIUKYOLW-OCCSQVGLSA-N 1 2 372.368 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338334 497600639 /nfs/dbraw/zinc/60/06/39/497600639.db2.gz YCMZHSJIUKYOLW-OCCSQVGLSA-N 1 2 372.368 3.001 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000272349372 497604861 /nfs/dbraw/zinc/60/48/61/497604861.db2.gz CVOUPLJMJFAPSM-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000194234838 497610043 /nfs/dbraw/zinc/61/00/43/497610043.db2.gz ASALKZIZAULAGC-UHFFFAOYSA-N 1 2 365.430 3.122 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581136205 505917898 /nfs/dbraw/zinc/91/78/98/505917898.db2.gz SXDRVGXWEKLGHP-NSHDSACASA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581136205 505917902 /nfs/dbraw/zinc/91/79/02/505917902.db2.gz SXDRVGXWEKLGHP-NSHDSACASA-N 1 2 366.311 3.478 20 5 FGBDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000194426266 497662518 /nfs/dbraw/zinc/66/25/18/497662518.db2.gz RBIAWVZHKALCRE-IBGZPJMESA-N 1 2 371.437 3.303 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272587674 497671817 /nfs/dbraw/zinc/67/18/17/497671817.db2.gz FQLTZRRSZHFJFO-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272587674 497671819 /nfs/dbraw/zinc/67/18/19/497671819.db2.gz FQLTZRRSZHFJFO-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO CSCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000194513408 497691477 /nfs/dbraw/zinc/69/14/77/497691477.db2.gz KCYWFVHIIADJMY-CQSZACIVSA-N 1 2 357.439 3.222 20 5 FGBDLO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782117 497898409 /nfs/dbraw/zinc/89/84/09/497898409.db2.gz KMGBDPHLQABARO-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782117 497898411 /nfs/dbraw/zinc/89/84/11/497898411.db2.gz KMGBDPHLQABARO-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO Cc1ccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280812273 497907895 /nfs/dbraw/zinc/90/78/95/497907895.db2.gz MDPLCXZMVFDKIJ-LRDDRELGSA-N 1 2 368.480 3.229 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000575244111 505949987 /nfs/dbraw/zinc/94/99/87/505949987.db2.gz VMDUDWOAPOOVAK-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccccn2)C1 ZINC000575244111 505949990 /nfs/dbraw/zinc/94/99/90/505949990.db2.gz VMDUDWOAPOOVAK-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1OC ZINC000581278030 505950214 /nfs/dbraw/zinc/95/02/14/505950214.db2.gz NLKYMZDGGWTBLC-UHFFFAOYSA-N 1 2 359.426 3.310 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1OC ZINC000581278030 505950218 /nfs/dbraw/zinc/95/02/18/505950218.db2.gz NLKYMZDGGWTBLC-UHFFFAOYSA-N 1 2 359.426 3.310 20 5 FGBDLO Cc1ncc(C[NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000301123374 497963033 /nfs/dbraw/zinc/96/30/33/497963033.db2.gz ZMSPAYCVTMGWAG-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317007 498102482 /nfs/dbraw/zinc/10/24/82/498102482.db2.gz IMSNMFDFGBAVDR-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317007 498102490 /nfs/dbraw/zinc/10/24/90/498102490.db2.gz IMSNMFDFGBAVDR-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000292830809 498162429 /nfs/dbraw/zinc/16/24/29/498162429.db2.gz DPBJQJDNBPFCLR-CYBMUJFWSA-N 1 2 353.220 3.332 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000292865282 498175366 /nfs/dbraw/zinc/17/53/66/498175366.db2.gz AYRHVODESSGRCF-UHFFFAOYSA-N 1 2 368.315 3.287 20 5 FGBDLO COc1ccc([C@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2[nH+]ccn2C)cc1 ZINC000301628095 498195233 /nfs/dbraw/zinc/19/52/33/498195233.db2.gz HZZSAGRCAAOOHF-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO CC(C)C(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292986783 498223499 /nfs/dbraw/zinc/22/34/99/498223499.db2.gz FTAPQRZRVQCTMC-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292986783 498223509 /nfs/dbraw/zinc/22/35/09/498223509.db2.gz FTAPQRZRVQCTMC-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO COc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c([N+](=O)[O-])cc1OC ZINC000281658990 498228630 /nfs/dbraw/zinc/22/86/30/498228630.db2.gz NIPKWSUSVJTULB-UHFFFAOYSA-N 1 2 374.290 3.458 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000285958047 498251842 /nfs/dbraw/zinc/25/18/42/498251842.db2.gz AIDVFJWQQVGGRX-UHFFFAOYSA-N 1 2 356.411 3.207 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1OC(F)F ZINC000301787279 498264885 /nfs/dbraw/zinc/26/48/85/498264885.db2.gz WVFBFCMVQWGFHZ-LBPRGKRZSA-N 1 2 350.325 3.282 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)n1 ZINC000365127578 498311633 /nfs/dbraw/zinc/31/16/33/498311633.db2.gz WSUKDUAQAUNOHD-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000301942170 498339740 /nfs/dbraw/zinc/33/97/40/498339740.db2.gz VJQWOIIQPRMSCM-UHFFFAOYSA-N 1 2 358.398 3.088 20 5 FGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000578778972 506018904 /nfs/dbraw/zinc/01/89/04/506018904.db2.gz ZNMXJISSCQOPPT-PBHICJAKSA-N 1 2 369.421 3.269 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000282030022 498364561 /nfs/dbraw/zinc/36/45/61/498364561.db2.gz RIBNCQVGUBWZBX-KRWDZBQOSA-N 1 2 371.441 3.291 20 5 FGBDLO Cc1cc(N(C)C[C@@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302046761 498384238 /nfs/dbraw/zinc/38/42/38/498384238.db2.gz NKFCFBCLSWXLQD-DOTOQJQBSA-N 1 2 356.426 3.348 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2cccnc21 ZINC000365294222 498391276 /nfs/dbraw/zinc/39/12/76/498391276.db2.gz VSQOPPAJKKSPJA-KRWDZBQOSA-N 1 2 355.394 3.366 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2cccnc21 ZINC000365294222 498391281 /nfs/dbraw/zinc/39/12/81/498391281.db2.gz VSQOPPAJKKSPJA-KRWDZBQOSA-N 1 2 355.394 3.366 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(F)c1 ZINC000286474373 498409147 /nfs/dbraw/zinc/40/91/47/498409147.db2.gz PKVXHMWLQFAAHB-HNNXBMFYSA-N 1 2 370.396 3.423 20 5 FGBDLO CCOc1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000302146640 498416208 /nfs/dbraw/zinc/41/62/08/498416208.db2.gz JSNWNSYOBOBVBU-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302220458 498448775 /nfs/dbraw/zinc/44/87/75/498448775.db2.gz MDBYAIUVQNHVRW-ZFWWWQNUSA-N 1 2 367.331 3.050 20 5 FGBDLO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302220458 498448783 /nfs/dbraw/zinc/44/87/83/498448783.db2.gz MDBYAIUVQNHVRW-ZFWWWQNUSA-N 1 2 367.331 3.050 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCN2 ZINC000302697170 498535915 /nfs/dbraw/zinc/53/59/15/498535915.db2.gz TUHTZJQVICZGAH-UHFFFAOYSA-N 1 2 353.357 3.500 20 5 FGBDLO Cc1cnn([C@@H]2CCN(c3cc(C)[nH+]c(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000290920744 498723956 /nfs/dbraw/zinc/72/39/56/498723956.db2.gz XLBJUEHHYOJIEE-QGZVFWFLSA-N 1 2 364.409 3.317 20 5 FGBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc([N+](=O)[O-])c1 ZINC000332651387 498753942 /nfs/dbraw/zinc/75/39/42/498753942.db2.gz NIPVYKTVHPALTA-AWEZNQCLSA-N 1 2 356.426 3.142 20 5 FGBDLO C[C@@H](O)c1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000366116681 498783418 /nfs/dbraw/zinc/78/34/18/498783418.db2.gz JSQBAUQJTZRVTB-GFCCVEGCSA-N 1 2 363.439 3.148 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363438619 498821424 /nfs/dbraw/zinc/82/14/24/498821424.db2.gz PUOXAAWSLGFWIC-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000283990594 499026123 /nfs/dbraw/zinc/02/61/23/499026123.db2.gz MTQLSAUVTUHUEL-NSHDSACASA-N 1 2 361.789 3.044 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693703 499038512 /nfs/dbraw/zinc/03/85/12/499038512.db2.gz YHVWMXSTQUKAPX-WMLDXEAASA-N 1 2 350.415 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693703 499038515 /nfs/dbraw/zinc/03/85/15/499038515.db2.gz YHVWMXSTQUKAPX-WMLDXEAASA-N 1 2 350.415 3.001 20 5 FGBDLO Cn1ncc(Br)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291775596 499064776 /nfs/dbraw/zinc/06/47/76/499064776.db2.gz UFTDQJDFRASWAI-UHFFFAOYSA-N 1 2 353.220 3.116 20 5 FGBDLO CCC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000366858496 499096395 /nfs/dbraw/zinc/09/63/95/499096395.db2.gz PGWMYHDLFKURSH-UHFFFAOYSA-N 1 2 351.366 3.380 20 5 FGBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367077836 499144610 /nfs/dbraw/zinc/14/46/10/499144610.db2.gz MRYLKRGHZRJFNF-CYBMUJFWSA-N 1 2 360.345 3.123 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c2ccc(F)cc2)cn1 ZINC000367306111 499177915 /nfs/dbraw/zinc/17/79/15/499177915.db2.gz UMEFBHTVXWYNAJ-GOSISDBHSA-N 1 2 358.348 3.486 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](O)c4ccccc4C3)n2)c1 ZINC000367936060 499247587 /nfs/dbraw/zinc/24/75/87/499247587.db2.gz XLQYTVZNYIUUHC-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](O)c4ccccc4C3)n2)c1 ZINC000367936060 499247589 /nfs/dbraw/zinc/24/75/89/499247589.db2.gz XLQYTVZNYIUUHC-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000368391905 499291836 /nfs/dbraw/zinc/29/18/36/499291836.db2.gz YTGBFHXQTCNVBM-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368468006 499299059 /nfs/dbraw/zinc/29/90/59/499299059.db2.gz YFBCKQVUOAXMDY-UHFFFAOYSA-N 1 2 356.426 3.325 20 5 FGBDLO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cscn3)CC2)c(Cl)c1 ZINC000371691060 499355317 /nfs/dbraw/zinc/35/53/17/499355317.db2.gz NUDPOQVSTPFUGY-UHFFFAOYSA-N 1 2 353.835 3.176 20 5 FGBDLO Cc1cccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000371702925 499357123 /nfs/dbraw/zinc/35/71/23/499357123.db2.gz HCCHDVFJCAAMOB-UHFFFAOYSA-N 1 2 368.393 3.483 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369721051 499438827 /nfs/dbraw/zinc/43/88/27/499438827.db2.gz CKLPMGWEACPRTB-AWEZNQCLSA-N 1 2 357.414 3.357 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000372966198 499445150 /nfs/dbraw/zinc/44/51/50/499445150.db2.gz PBOLQVLLPAYVFG-AWEZNQCLSA-N 1 2 371.441 3.339 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])CCC2 ZINC000378235451 499492908 /nfs/dbraw/zinc/49/29/08/499492908.db2.gz RATGIKGECZXQPQ-JTQLQIEISA-N 1 2 366.219 3.247 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000378255802 499494997 /nfs/dbraw/zinc/49/49/97/499494997.db2.gz XRQAMVHGEDESFL-UKRRQHHQSA-N 1 2 357.414 3.038 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378260153 499495337 /nfs/dbraw/zinc/49/53/37/499495337.db2.gz PDVBCDSHCJBRQS-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO CC(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000375367087 499510950 /nfs/dbraw/zinc/51/09/50/499510950.db2.gz MPNXINRQIHSMHR-UHFFFAOYSA-N 1 2 365.393 3.229 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375946835 499570584 /nfs/dbraw/zinc/57/05/84/499570584.db2.gz ITDOZGJOJAHDGT-CYBMUJFWSA-N 1 2 374.466 3.460 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000411967100 499807135 /nfs/dbraw/zinc/80/71/35/499807135.db2.gz DAHQQXRGDXGBOO-CQSZACIVSA-N 1 2 358.398 3.125 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(Cl)c1 ZINC000579395852 506164140 /nfs/dbraw/zinc/16/41/40/506164140.db2.gz RERULQWSDDPSLE-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CCO[C@H](C)c1noc(CN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413163535 499921390 /nfs/dbraw/zinc/92/13/90/499921390.db2.gz GNAZVXCWVYUSEM-LLVKDONJSA-N 1 2 357.370 3.260 20 5 FGBDLO CC(C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OCC1CC1 ZINC000413519369 499978496 /nfs/dbraw/zinc/97/84/96/499978496.db2.gz VSSDLKQTCYVCRP-UHFFFAOYSA-N 1 2 363.458 3.044 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc2O1 ZINC000429164103 500017195 /nfs/dbraw/zinc/01/71/95/500017195.db2.gz OUKJGBIGNTXYKL-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc2O1 ZINC000429164103 500017198 /nfs/dbraw/zinc/01/71/98/500017198.db2.gz OUKJGBIGNTXYKL-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000421442753 500049302 /nfs/dbraw/zinc/04/93/02/500049302.db2.gz HEIAAIVDFGIWAL-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccnn1C ZINC000426537554 500286475 /nfs/dbraw/zinc/28/64/75/500286475.db2.gz IFOZABPDUHDZDC-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccnn1C ZINC000426537554 500286478 /nfs/dbraw/zinc/28/64/78/500286478.db2.gz IFOZABPDUHDZDC-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO C[C@H]1[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000419336830 500355134 /nfs/dbraw/zinc/35/51/34/500355134.db2.gz AVYUXKJSDPCZHD-GMTAPVOTSA-N 1 2 370.247 3.272 20 5 FGBDLO C[C@H]1[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000419336830 500355135 /nfs/dbraw/zinc/35/51/35/500355135.db2.gz AVYUXKJSDPCZHD-GMTAPVOTSA-N 1 2 370.247 3.272 20 5 FGBDLO Cc1cc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc(C)[nH+]1 ZINC000420649540 500482940 /nfs/dbraw/zinc/48/29/40/500482940.db2.gz GIHWYAJRNHIOMJ-UHFFFAOYSA-N 1 2 354.410 3.455 20 5 FGBDLO Cc1cc(NCC2(CO)CC3(CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432830809 500574528 /nfs/dbraw/zinc/57/45/28/500574528.db2.gz VXPDCNBWLLNEKK-UHFFFAOYSA-N 1 2 368.437 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000433050923 500613331 /nfs/dbraw/zinc/61/33/31/500613331.db2.gz FJRJGMUZPCOUJE-KRWDZBQOSA-N 1 2 374.462 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000433050923 500613335 /nfs/dbraw/zinc/61/33/35/500613335.db2.gz FJRJGMUZPCOUJE-KRWDZBQOSA-N 1 2 374.462 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000442878012 500638391 /nfs/dbraw/zinc/63/83/91/500638391.db2.gz CNNVOUCASQOGRR-UHFFFAOYSA-N 1 2 370.331 3.380 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447669848 500642173 /nfs/dbraw/zinc/64/21/73/500642173.db2.gz HKUZEEMQVWLTJG-UHFFFAOYSA-N 1 2 362.393 3.352 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576990 500662727 /nfs/dbraw/zinc/66/27/27/500662727.db2.gz CWZXOISEMRQPKP-CXAGYDPISA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576990 500662729 /nfs/dbraw/zinc/66/27/29/500662729.db2.gz CWZXOISEMRQPKP-CXAGYDPISA-N 1 2 355.394 3.377 20 5 FGBDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448717986 500813157 /nfs/dbraw/zinc/81/31/57/500813157.db2.gz ZSUQYAJCFKSMCZ-KDOFPFPSSA-N 1 2 372.425 3.106 20 5 FGBDLO C[C@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000602570015 506220291 /nfs/dbraw/zinc/22/02/91/506220291.db2.gz RCYKVKIHWRMSIX-DTWKUNHWSA-N 1 2 360.277 3.134 20 5 FGBDLO C[C@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000602570015 506220293 /nfs/dbraw/zinc/22/02/93/506220293.db2.gz RCYKVKIHWRMSIX-DTWKUNHWSA-N 1 2 360.277 3.134 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000444691395 500879269 /nfs/dbraw/zinc/87/92/69/500879269.db2.gz YNNLSEDUBSUKQO-INIZCTEOSA-N 1 2 362.336 3.227 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](n4ncc5ccccc54)C3)nc2c1 ZINC000444689575 500880025 /nfs/dbraw/zinc/88/00/25/500880025.db2.gz OIFRXMOBOBHZJC-OAHLLOKOSA-N 1 2 362.393 3.268 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](n4ncc5ccccc54)C3)nc2c1 ZINC000444689575 500880029 /nfs/dbraw/zinc/88/00/29/500880029.db2.gz OIFRXMOBOBHZJC-OAHLLOKOSA-N 1 2 362.393 3.268 20 5 FGBDLO CCc1cc(N[C@@H](CC)c2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439651090 500923031 /nfs/dbraw/zinc/92/30/31/500923031.db2.gz RKDQCWFXDUXEDT-HNNXBMFYSA-N 1 2 352.398 3.322 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592746290 506227230 /nfs/dbraw/zinc/22/72/30/506227230.db2.gz TXIKBCWAVTVFGG-ZWKOTPCHSA-N 1 2 364.405 3.013 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000445824094 501037517 /nfs/dbraw/zinc/03/75/17/501037517.db2.gz KUQIZXHZUXQYSU-BLLLJJGKSA-N 1 2 369.381 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000445824094 501037522 /nfs/dbraw/zinc/03/75/22/501037522.db2.gz KUQIZXHZUXQYSU-BLLLJJGKSA-N 1 2 369.381 3.052 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069258 501068804 /nfs/dbraw/zinc/06/88/04/501068804.db2.gz HJCDAPMTCCWMKO-QJPTWQEYSA-N 1 2 374.384 3.245 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069258 501068806 /nfs/dbraw/zinc/06/88/06/501068806.db2.gz HJCDAPMTCCWMKO-QJPTWQEYSA-N 1 2 374.384 3.245 20 5 FGBDLO C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000450523797 501143879 /nfs/dbraw/zinc/14/38/79/501143879.db2.gz JTXAUBGXZAMIDA-AUUYWEPGSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441497560 501148490 /nfs/dbraw/zinc/14/84/90/501148490.db2.gz CCYFGDHNRIGMFX-QRWLVFNGSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441497560 501148493 /nfs/dbraw/zinc/14/84/93/501148493.db2.gz CCYFGDHNRIGMFX-QRWLVFNGSA-N 1 2 372.421 3.444 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCCC[C@H]21 ZINC000450538067 501148730 /nfs/dbraw/zinc/14/87/30/501148730.db2.gz YDOFDDYWRDAJQM-VNQPRFMTSA-N 1 2 354.410 3.431 20 5 FGBDLO CCc1cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450825890 501214336 /nfs/dbraw/zinc/21/43/36/501214336.db2.gz FTRXPRPXNYBKQY-WBMJQRKESA-N 1 2 364.409 3.351 20 5 FGBDLO CCN(CC)c1ccc(CNc2nccc3cc([N+](=O)[O-])ccc32)c[nH+]1 ZINC000450256163 501220173 /nfs/dbraw/zinc/22/01/73/501220173.db2.gz OXFDKKLNJPSYFR-UHFFFAOYSA-N 1 2 351.410 3.418 20 5 FGBDLO Cc1cc(C)c(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c[nH+]1 ZINC000450913907 501228863 /nfs/dbraw/zinc/22/88/63/501228863.db2.gz VODJLCUCWWRZDC-UHFFFAOYSA-N 1 2 356.426 3.051 20 5 FGBDLO COC(=O)c1c(Cl)c(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596073529 506242282 /nfs/dbraw/zinc/24/22/82/506242282.db2.gz MGLPLHRTZOXTKX-UHFFFAOYSA-N 1 2 364.789 3.108 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[C@@H](C)C1 ZINC000451153802 501248561 /nfs/dbraw/zinc/24/85/61/501248561.db2.gz JAGWWASPWVAKCW-ZBFHGGJFSA-N 1 2 372.425 3.058 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)o1 ZINC000453255884 501301060 /nfs/dbraw/zinc/30/10/60/501301060.db2.gz LEHLWURBYUQISP-HNNXBMFYSA-N 1 2 372.406 3.376 20 5 FGBDLO Cc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c(C)[nH+]1 ZINC000596081354 506246990 /nfs/dbraw/zinc/24/69/90/506246990.db2.gz GGQSKOFHUWWOJN-MRVPVSSYSA-N 1 2 351.204 3.359 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000596086823 506249582 /nfs/dbraw/zinc/24/95/82/506249582.db2.gz BTEGRLNRHYMHLP-MRXNPFEDSA-N 1 2 373.425 3.152 20 5 FGBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000452048775 501424836 /nfs/dbraw/zinc/42/48/36/501424836.db2.gz QQKXIDBQUVWWEY-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000456342416 501504009 /nfs/dbraw/zinc/50/40/09/501504009.db2.gz DNIVGSMDZISNCE-SECBINFHSA-N 1 2 367.203 3.065 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708048 506265204 /nfs/dbraw/zinc/26/52/04/506265204.db2.gz PFXNAWSYKBDCMU-UHFFFAOYSA-N 1 2 374.404 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636721 501690984 /nfs/dbraw/zinc/69/09/84/501690984.db2.gz AGEGRYHRZQMGSR-HNNXBMFYSA-N 1 2 374.359 3.481 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636721 501690986 /nfs/dbraw/zinc/69/09/86/501690986.db2.gz AGEGRYHRZQMGSR-HNNXBMFYSA-N 1 2 374.359 3.481 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459638298 501691460 /nfs/dbraw/zinc/69/14/60/501691460.db2.gz UEUJCJRYGOBGOJ-NSHDSACASA-N 1 2 360.439 3.138 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459725431 501704279 /nfs/dbraw/zinc/70/42/79/501704279.db2.gz CMLLGQMUMVCKKE-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459725431 501704280 /nfs/dbraw/zinc/70/42/80/501704280.db2.gz CMLLGQMUMVCKKE-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459724037 501704431 /nfs/dbraw/zinc/70/44/31/501704431.db2.gz WGVGODDJPBLBFT-CYBMUJFWSA-N 1 2 355.822 3.078 20 5 FGBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459724037 501704433 /nfs/dbraw/zinc/70/44/33/501704433.db2.gz WGVGODDJPBLBFT-CYBMUJFWSA-N 1 2 355.822 3.078 20 5 FGBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000481474169 501785331 /nfs/dbraw/zinc/78/53/31/501785331.db2.gz QRQAAKRQBPAQAH-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485545517 501855056 /nfs/dbraw/zinc/85/50/56/501855056.db2.gz OXCFFHGMKKSCKL-GOSISDBHSA-N 1 2 372.421 3.210 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485545517 501855061 /nfs/dbraw/zinc/85/50/61/501855061.db2.gz OXCFFHGMKKSCKL-GOSISDBHSA-N 1 2 372.421 3.210 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485744453 501922194 /nfs/dbraw/zinc/92/21/94/501922194.db2.gz NFQGABPPLVJQOU-UHFFFAOYSA-N 1 2 357.410 3.236 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485744453 501922201 /nfs/dbraw/zinc/92/22/01/501922201.db2.gz NFQGABPPLVJQOU-UHFFFAOYSA-N 1 2 357.410 3.236 20 5 FGBDLO Cc1cc(C)c2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000485859693 501964770 /nfs/dbraw/zinc/96/47/70/501964770.db2.gz AXVAJPBYTWSNGJ-UHFFFAOYSA-N 1 2 374.462 3.044 20 5 FGBDLO Cc1cc(C)c2c(c1)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000485859693 501964773 /nfs/dbraw/zinc/96/47/73/501964773.db2.gz AXVAJPBYTWSNGJ-UHFFFAOYSA-N 1 2 374.462 3.044 20 5 FGBDLO COc1c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cccc1[N+](=O)[O-] ZINC000474961162 502005455 /nfs/dbraw/zinc/00/54/55/502005455.db2.gz CDTGCYZHPLPVPY-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO COc1cccc2c(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc[nH+]c12 ZINC000486034278 502025622 /nfs/dbraw/zinc/02/56/22/502025622.db2.gz GEOXUZGQWHSADK-UHFFFAOYSA-N 1 2 353.382 3.190 20 5 FGBDLO CCCCNC(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599036485 506289079 /nfs/dbraw/zinc/28/90/79/506289079.db2.gz SJGHRXSDCONMHP-OAHLLOKOSA-N 1 2 356.426 3.276 20 5 FGBDLO C[C@H](N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)C(F)(F)F ZINC000599055722 506298420 /nfs/dbraw/zinc/29/84/20/506298420.db2.gz OVHLSYOGQWBINZ-NSHDSACASA-N 1 2 354.332 3.216 20 5 FGBDLO CCn1ncnc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475575824 502217778 /nfs/dbraw/zinc/21/77/78/502217778.db2.gz QBXJSTMLYNYCHP-UHFFFAOYSA-N 1 2 361.789 3.409 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000469444630 502420601 /nfs/dbraw/zinc/42/06/01/502420601.db2.gz ONBMUPPNHHFSPK-GOSISDBHSA-N 1 2 357.410 3.113 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000479972661 502434868 /nfs/dbraw/zinc/43/48/68/502434868.db2.gz SFKGMVPFFLJJGV-UHFFFAOYSA-N 1 2 370.315 3.262 20 5 FGBDLO Cn1nccc1[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599083984 506316690 /nfs/dbraw/zinc/31/66/90/506316690.db2.gz NXHUIMOJZZFRCN-DYVFJYSZSA-N 1 2 353.382 3.209 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](c2cc(C)cc[nH+]2)C1 ZINC000599100718 506322807 /nfs/dbraw/zinc/32/28/07/506322807.db2.gz MMKNFQLBYWETIM-CQSZACIVSA-N 1 2 355.394 3.387 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480560566 502603556 /nfs/dbraw/zinc/60/35/56/502603556.db2.gz XBBQFJIFIJSHLB-GXTWGEPZSA-N 1 2 373.375 3.204 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000473504719 502612495 /nfs/dbraw/zinc/61/24/95/502612495.db2.gz CKKQFBBMUJSNTN-UHFFFAOYSA-N 1 2 359.389 3.422 20 5 FGBDLO CCc1cc(NC[C@@H](C)C(=O)OC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462949793 502639867 /nfs/dbraw/zinc/63/98/67/502639867.db2.gz WPJOBYVMGZZSIY-CYBMUJFWSA-N 1 2 372.425 3.036 20 5 FGBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480692379 502645024 /nfs/dbraw/zinc/64/50/24/502645024.db2.gz IBOXCUICQJGJTP-CQSZACIVSA-N 1 2 369.347 3.220 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000470178822 502697695 /nfs/dbraw/zinc/69/76/95/502697695.db2.gz OMBBLDLWNDHRDG-YRNVUSSQSA-N 1 2 367.331 3.124 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000470178822 502697703 /nfs/dbraw/zinc/69/77/03/502697703.db2.gz OMBBLDLWNDHRDG-YRNVUSSQSA-N 1 2 367.331 3.124 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415600 502791285 /nfs/dbraw/zinc/79/12/85/502791285.db2.gz KCFBJMNRUOTTML-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415600 502791288 /nfs/dbraw/zinc/79/12/88/502791288.db2.gz KCFBJMNRUOTTML-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000485070447 502812945 /nfs/dbraw/zinc/81/29/45/502812945.db2.gz CESXIHOUDZGZHR-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000485070447 502812947 /nfs/dbraw/zinc/81/29/47/502812947.db2.gz CESXIHOUDZGZHR-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO CCNc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000500710179 502845359 /nfs/dbraw/zinc/84/53/59/502845359.db2.gz LUYCSSNQBGLZGQ-UHFFFAOYSA-N 1 2 351.366 3.465 20 5 FGBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513252465 502889355 /nfs/dbraw/zinc/88/93/55/502889355.db2.gz KYOIKIOGDGXCPK-UHFFFAOYSA-N 1 2 373.457 3.084 20 5 FGBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513252465 502889358 /nfs/dbraw/zinc/88/93/58/502889358.db2.gz KYOIKIOGDGXCPK-UHFFFAOYSA-N 1 2 373.457 3.084 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2n[nH]cc2c1 ZINC000513360763 502914450 /nfs/dbraw/zinc/91/44/50/502914450.db2.gz DWCWUSQUZHWWQV-NSHDSACASA-N 1 2 364.365 3.372 20 5 FGBDLO Cc1ccc2oc(N3CC[NH+](Cc4cccc([N+](=O)[O-])c4)CC3)nc2c1 ZINC000513619730 502982125 /nfs/dbraw/zinc/98/21/25/502982125.db2.gz NNTOJOQBLZJJDL-UHFFFAOYSA-N 1 2 352.394 3.367 20 5 FGBDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513708417 503005988 /nfs/dbraw/zinc/00/59/88/503005988.db2.gz RPRWRQNOMJCHCK-SUMWQHHRSA-N 1 2 374.441 3.128 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cc1 ZINC000497921431 503067785 /nfs/dbraw/zinc/06/77/85/503067785.db2.gz NLIMPTRSRRNPMT-UHFFFAOYSA-N 1 2 370.453 3.015 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588844488 506354665 /nfs/dbraw/zinc/35/46/65/506354665.db2.gz MERAHVNABXXFOO-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000490089595 503107456 /nfs/dbraw/zinc/10/74/56/503107456.db2.gz ODMRJABEULIXIB-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000501952963 503115305 /nfs/dbraw/zinc/11/53/05/503115305.db2.gz BEADNJPQSZUVGC-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152731 503118868 /nfs/dbraw/zinc/11/88/68/503118868.db2.gz KRDNLOCWZITPIM-GOSISDBHSA-N 1 2 368.418 3.059 20 5 FGBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152736 503118889 /nfs/dbraw/zinc/11/88/89/503118889.db2.gz KRDNLOCWZITPIM-SFHVURJKSA-N 1 2 368.418 3.059 20 5 FGBDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304708 503154096 /nfs/dbraw/zinc/15/40/96/503154096.db2.gz RHHREQTZEUQQDE-OAUYIBNBSA-N 1 2 354.834 3.264 20 5 FGBDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304708 503154099 /nfs/dbraw/zinc/15/40/99/503154099.db2.gz RHHREQTZEUQQDE-OAUYIBNBSA-N 1 2 354.834 3.264 20 5 FGBDLO CCc1cc(NCCc2ccccc2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000506994775 503208595 /nfs/dbraw/zinc/20/85/95/503208595.db2.gz KZOIYCMTKVHZPF-UHFFFAOYSA-N 1 2 364.405 3.396 20 5 FGBDLO Cc1c(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000502517413 503215796 /nfs/dbraw/zinc/21/57/96/503215796.db2.gz LYYAYPYCAXFHBM-UHFFFAOYSA-N 1 2 365.393 3.107 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089385 503228224 /nfs/dbraw/zinc/22/82/24/503228224.db2.gz SREDNMSWJLXGPN-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089385 503228229 /nfs/dbraw/zinc/22/82/29/503228229.db2.gz SREDNMSWJLXGPN-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836450 503332124 /nfs/dbraw/zinc/33/21/24/503332124.db2.gz CHXBXBTXPLWSTI-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836450 503332127 /nfs/dbraw/zinc/33/21/27/503332127.db2.gz CHXBXBTXPLWSTI-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000491960824 503339880 /nfs/dbraw/zinc/33/98/80/503339880.db2.gz RHEDUSVBPUIKIQ-CYBMUJFWSA-N 1 2 366.381 3.117 20 5 FGBDLO CCOc1cc(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492694937 503381779 /nfs/dbraw/zinc/38/17/79/503381779.db2.gz GUXZJDMQEIBZBO-CQSZACIVSA-N 1 2 357.410 3.042 20 5 FGBDLO CCOc1cc(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492694937 503381783 /nfs/dbraw/zinc/38/17/83/503381783.db2.gz GUXZJDMQEIBZBO-CQSZACIVSA-N 1 2 357.410 3.042 20 5 FGBDLO COc1c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000492811583 503386223 /nfs/dbraw/zinc/38/62/23/503386223.db2.gz WXKWELDJCAZNBT-MRXNPFEDSA-N 1 2 366.377 3.188 20 5 FGBDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493108301 503406969 /nfs/dbraw/zinc/40/69/69/503406969.db2.gz VNCMQKYWYCSRNF-GFCCVEGCSA-N 1 2 353.850 3.375 20 5 FGBDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493108301 503406970 /nfs/dbraw/zinc/40/69/70/503406970.db2.gz VNCMQKYWYCSRNF-GFCCVEGCSA-N 1 2 353.850 3.375 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000512190523 503481567 /nfs/dbraw/zinc/48/15/67/503481567.db2.gz YFJZHDSSEXJVOK-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494641096 503580950 /nfs/dbraw/zinc/58/09/50/503580950.db2.gz DILUQQJMNJOJRH-RISCZKNCSA-N 1 2 374.422 3.399 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000508943649 503605095 /nfs/dbraw/zinc/60/50/95/503605095.db2.gz UWEJFHXCAXKZQY-ZDUSSCGKSA-N 1 2 362.455 3.360 20 5 FGBDLO CN(C)C(=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000508964196 503608452 /nfs/dbraw/zinc/60/84/52/503608452.db2.gz JQDBENCJGGVCLH-KRWDZBQOSA-N 1 2 363.364 3.182 20 5 FGBDLO O=c1ccccn1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000500524895 503641756 /nfs/dbraw/zinc/64/17/56/503641756.db2.gz HKGOPAIMYBEKLT-LJQANCHMSA-N 1 2 367.380 3.427 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 ZINC000532920951 503655953 /nfs/dbraw/zinc/65/59/53/503655953.db2.gz WWJQANPOVXGBPY-UHFFFAOYSA-N 1 2 363.421 3.169 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527085971 503673821 /nfs/dbraw/zinc/67/38/21/503673821.db2.gz WSRXXKQICFUODR-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424122 503764496 /nfs/dbraw/zinc/76/44/96/503764496.db2.gz MBUXLWWLDUCJKO-JLTOFOAXSA-N 1 2 369.421 3.193 20 5 FGBDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C ZINC000543540300 503806597 /nfs/dbraw/zinc/80/65/97/503806597.db2.gz QCZUYMUHUONAFD-SECBINFHSA-N 1 2 355.441 3.449 20 5 FGBDLO COc1ccc(OCCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000518015389 503889698 /nfs/dbraw/zinc/88/96/98/503889698.db2.gz WGUNZIHVJRQICW-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO COc1ccc(OCCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000518015389 503889706 /nfs/dbraw/zinc/88/97/06/503889706.db2.gz WGUNZIHVJRQICW-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]CCc2n[nH]c(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384226 504111165 /nfs/dbraw/zinc/11/11/65/504111165.db2.gz ICGVYGLAFGOIDM-SFHVURJKSA-N 1 2 355.398 3.098 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]CCc2nnc(C)[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384226 504111170 /nfs/dbraw/zinc/11/11/70/504111170.db2.gz ICGVYGLAFGOIDM-SFHVURJKSA-N 1 2 355.398 3.098 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000534513990 504162025 /nfs/dbraw/zinc/16/20/25/504162025.db2.gz ZWZBEGLAKFZEPO-INIZCTEOSA-N 1 2 367.449 3.447 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000534513990 504162030 /nfs/dbraw/zinc/16/20/30/504162030.db2.gz ZWZBEGLAKFZEPO-INIZCTEOSA-N 1 2 367.449 3.447 20 5 FGBDLO CCc1ccc([C@H]([NH2+]Cc2cnc(C)[nH]c2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541567777 504179660 /nfs/dbraw/zinc/17/96/60/504179660.db2.gz PNDKLZXTGFOTFA-GOSISDBHSA-N 1 2 368.393 3.433 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000531203742 504226822 /nfs/dbraw/zinc/22/68/22/504226822.db2.gz CKVRDHXBAYQNRI-CYBMUJFWSA-N 1 2 353.382 3.111 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000531203743 504226860 /nfs/dbraw/zinc/22/68/60/504226860.db2.gz CKVRDHXBAYQNRI-ZDUSSCGKSA-N 1 2 353.382 3.111 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538492488 504262338 /nfs/dbraw/zinc/26/23/38/504262338.db2.gz QBASDURGRKLXSB-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538492488 504262343 /nfs/dbraw/zinc/26/23/43/504262343.db2.gz QBASDURGRKLXSB-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cc1F ZINC000541935720 504308809 /nfs/dbraw/zinc/30/88/09/504308809.db2.gz DFEUSBGVNNDVBJ-UHFFFAOYSA-N 1 2 374.416 3.077 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3cccc(F)c3)co2)cc1 ZINC000542881776 504646077 /nfs/dbraw/zinc/64/60/77/504646077.db2.gz LMZDREVRFXDHPR-QGZVFWFLSA-N 1 2 357.341 3.212 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532536725 504686168 /nfs/dbraw/zinc/68/61/68/504686168.db2.gz JQFZAUGAHANUDH-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532536725 504686171 /nfs/dbraw/zinc/68/61/71/504686171.db2.gz JQFZAUGAHANUDH-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521529668 504752998 /nfs/dbraw/zinc/75/29/98/504752998.db2.gz SFDTUHRQAIHGSO-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521529668 504753000 /nfs/dbraw/zinc/75/30/00/504753000.db2.gz SFDTUHRQAIHGSO-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO COCC1(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000549577034 504852780 /nfs/dbraw/zinc/85/27/80/504852780.db2.gz DPHHUMCACSPYCS-UHFFFAOYSA-N 1 2 356.426 3.401 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000562788894 504946403 /nfs/dbraw/zinc/94/64/03/504946403.db2.gz ZRPMCHVQKSPTGZ-SNVBAGLBSA-N 1 2 353.220 3.250 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000553620970 504964738 /nfs/dbraw/zinc/96/47/38/504964738.db2.gz UAZYIAOAMYSTTM-UHFFFAOYSA-N 1 2 374.360 3.035 20 5 FGBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550097478 504966149 /nfs/dbraw/zinc/96/61/49/504966149.db2.gz QQABSZHQHNJZBU-MRXNPFEDSA-N 1 2 358.394 3.352 20 5 FGBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550097478 504966153 /nfs/dbraw/zinc/96/61/53/504966153.db2.gz QQABSZHQHNJZBU-MRXNPFEDSA-N 1 2 358.394 3.352 20 5 FGBDLO CCc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000553635364 504968639 /nfs/dbraw/zinc/96/86/39/504968639.db2.gz LOXYAOXVQGOWTH-UHFFFAOYSA-N 1 2 351.366 3.049 20 5 FGBDLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000555074707 505342985 /nfs/dbraw/zinc/34/29/85/505342985.db2.gz ZWZPMWLIZPIVHJ-OAHLLOKOSA-N 1 2 364.405 3.260 20 5 FGBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)C(F)(F)F ZINC000558422136 505384885 /nfs/dbraw/zinc/38/48/85/505384885.db2.gz KXFATXFMCWIZTK-LBPRGKRZSA-N 1 2 361.345 3.073 20 5 FGBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)C(F)(F)F ZINC000558422136 505384890 /nfs/dbraw/zinc/38/48/90/505384890.db2.gz KXFATXFMCWIZTK-LBPRGKRZSA-N 1 2 361.345 3.073 20 5 FGBDLO COc1ccc(-c2ccc(CNc3ccc(CO)c[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000558571439 505426546 /nfs/dbraw/zinc/42/65/46/505426546.db2.gz KYJWUYDYDLLVIF-UHFFFAOYSA-N 1 2 355.350 3.363 20 5 FGBDLO CC1(C)[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(F)F ZINC000596513012 506441544 /nfs/dbraw/zinc/44/15/44/506441544.db2.gz OXCXCXFYIVBPAK-HNNXBMFYSA-N 1 2 355.385 3.130 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512547 506480106 /nfs/dbraw/zinc/48/01/06/506480106.db2.gz KBQOMZZYBBKNFK-TXEJJXNPSA-N 1 2 371.384 3.155 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512547 506480111 /nfs/dbraw/zinc/48/01/11/506480111.db2.gz KBQOMZZYBBKNFK-TXEJJXNPSA-N 1 2 371.384 3.155 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649589 506509682 /nfs/dbraw/zinc/50/96/82/506509682.db2.gz CQVDKZFKAXZYSI-RTBURBONSA-N 1 2 363.421 3.277 20 5 FGBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000596829216 506623295 /nfs/dbraw/zinc/62/32/95/506623295.db2.gz QRRKFYGHJGPHCZ-MRVPVSSYSA-N 1 2 357.292 3.230 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)Cc2ccccc2O1 ZINC000590053761 506717842 /nfs/dbraw/zinc/71/78/42/506717842.db2.gz SMSMJEVAPBMUSL-ZDUSSCGKSA-N 1 2 356.378 3.149 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)Cc2ccccc2O1 ZINC000590053761 506717846 /nfs/dbraw/zinc/71/78/46/506717846.db2.gz SMSMJEVAPBMUSL-ZDUSSCGKSA-N 1 2 356.378 3.149 20 5 FGBDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126114 506724324 /nfs/dbraw/zinc/72/43/24/506724324.db2.gz HIJLGWCXKPYUEV-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000599986985 506736401 /nfs/dbraw/zinc/73/64/01/506736401.db2.gz BTOXAXHLGOBUQB-SJORKVTESA-N 1 2 368.437 3.068 20 5 FGBDLO CSc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000608901307 506740126 /nfs/dbraw/zinc/74/01/26/506740126.db2.gz XARHCGPBGCJBDJ-UHFFFAOYSA-N 1 2 355.379 3.150 20 5 FGBDLO COc1ccc(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000609017022 506763565 /nfs/dbraw/zinc/76/35/65/506763565.db2.gz QURPBPRZTCJTEL-UHFFFAOYSA-N 1 2 352.350 3.175 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234569 506821788 /nfs/dbraw/zinc/82/17/88/506821788.db2.gz VWAMMSQIURSWNS-GOSISDBHSA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234569 506821794 /nfs/dbraw/zinc/82/17/94/506821794.db2.gz VWAMMSQIURSWNS-GOSISDBHSA-N 1 2 369.421 3.305 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)o2)c([N+](=O)[O-])c1 ZINC000600203202 506841510 /nfs/dbraw/zinc/84/15/10/506841510.db2.gz AMPBYHBLDLQQCI-AWEZNQCLSA-N 1 2 364.373 3.424 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)o2)c([N+](=O)[O-])c1 ZINC000600203202 506841513 /nfs/dbraw/zinc/84/15/13/506841513.db2.gz AMPBYHBLDLQQCI-AWEZNQCLSA-N 1 2 364.373 3.424 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604507792 506855090 /nfs/dbraw/zinc/85/50/90/506855090.db2.gz WEZWHQQKGQMLAA-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO COc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000590570863 506865209 /nfs/dbraw/zinc/86/52/09/506865209.db2.gz GQSIIZRKZKMUQR-IBGZPJMESA-N 1 2 371.437 3.397 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590758706 506941295 /nfs/dbraw/zinc/94/12/95/506941295.db2.gz UTAABGOCZCSLLQ-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590758706 506941301 /nfs/dbraw/zinc/94/13/01/506941301.db2.gz UTAABGOCZCSLLQ-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609657169 506963214 /nfs/dbraw/zinc/96/32/14/506963214.db2.gz TXKNCDNMAQNTHQ-UHFFFAOYSA-N 1 2 362.345 3.457 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000609671802 506969722 /nfs/dbraw/zinc/96/97/22/506969722.db2.gz QDOHVGSCZYZLIY-UHFFFAOYSA-N 1 2 371.462 3.103 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000600585813 507018166 /nfs/dbraw/zinc/01/81/66/507018166.db2.gz DNXFSZYZZCVJCY-SFHVURJKSA-N 1 2 360.385 3.040 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000609995260 507065777 /nfs/dbraw/zinc/06/57/77/507065777.db2.gz SELDOENOPZWUQG-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO NC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)c1[N+](=O)[O-] ZINC000584035786 507115338 /nfs/dbraw/zinc/11/53/38/507115338.db2.gz RZYYJIJGXNGUGN-UHFFFAOYSA-N 1 2 374.360 3.171 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc([N+](=O)[O-])c1OC ZINC000610196978 507135524 /nfs/dbraw/zinc/13/55/24/507135524.db2.gz WCVIDACDXJKKSO-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)o1 ZINC000594510220 507161163 /nfs/dbraw/zinc/16/11/63/507161163.db2.gz KIRFSXDYXLGGIQ-MRXNPFEDSA-N 1 2 369.381 3.114 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597940276 507189018 /nfs/dbraw/zinc/18/90/18/507189018.db2.gz HHTQVPNNVABNBC-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000610434766 507237838 /nfs/dbraw/zinc/23/78/38/507237838.db2.gz KUPKZMWYAAUIBN-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601291266 507324969 /nfs/dbraw/zinc/32/49/69/507324969.db2.gz IWPRCAQBSLLSIV-UHFFFAOYSA-N 1 2 354.410 3.146 20 5 FGBDLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601291266 507324971 /nfs/dbraw/zinc/32/49/71/507324971.db2.gz IWPRCAQBSLLSIV-UHFFFAOYSA-N 1 2 354.410 3.146 20 5 FGBDLO CCn1cc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)nn1 ZINC000594971631 507337857 /nfs/dbraw/zinc/33/78/57/507337857.db2.gz NRHPCLCNRPXCAE-UHFFFAOYSA-N 1 2 366.425 3.264 20 5 FGBDLO Cc1cccn2c(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c[nH+]c12 ZINC000598262316 507348616 /nfs/dbraw/zinc/34/86/16/507348616.db2.gz LUHUIKDCSZVZAO-UHFFFAOYSA-N 1 2 365.393 3.403 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CC3)C1)OCCO2 ZINC000614255837 507430561 /nfs/dbraw/zinc/43/05/61/507430561.db2.gz BIZRTZZHJHCGEX-UHFFFAOYSA-N 1 2 352.390 3.413 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1Cc3ccccc3C3(CC3)C1)OCCO2 ZINC000614255837 507430570 /nfs/dbraw/zinc/43/05/70/507430570.db2.gz BIZRTZZHJHCGEX-UHFFFAOYSA-N 1 2 352.390 3.413 20 5 FGBDLO Cc1cn2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000598468600 507437224 /nfs/dbraw/zinc/43/72/24/507437224.db2.gz JUCKLCFNHDSFNB-UHFFFAOYSA-N 1 2 365.393 3.403 20 5 FGBDLO Cc1noc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595296249 507453808 /nfs/dbraw/zinc/45/38/08/507453808.db2.gz YKZMLCKSRDRFPK-YUMQZZPRSA-N 1 2 361.242 3.454 20 5 FGBDLO COc1ccc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000610970134 507459200 /nfs/dbraw/zinc/45/92/00/507459200.db2.gz LWMGTMMWWPTPDF-UHFFFAOYSA-N 1 2 365.393 3.400 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000611090599 507513635 /nfs/dbraw/zinc/51/36/35/507513635.db2.gz VBBFRSJJBRGZFK-UHFFFAOYSA-N 1 2 354.410 3.116 20 5 FGBDLO COc1cc(C[NH2+][C@H](CCO)c2ccccc2F)c([N+](=O)[O-])cc1F ZINC000592160001 507517142 /nfs/dbraw/zinc/51/71/42/507517142.db2.gz IHTGUFGTKSAPHC-OAHLLOKOSA-N 1 2 352.337 3.095 20 5 FGBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000595502690 507531656 /nfs/dbraw/zinc/53/16/56/507531656.db2.gz WCHQPVNROYDMEN-UHFFFAOYSA-N 1 2 361.348 3.137 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000595502690 507531659 /nfs/dbraw/zinc/53/16/59/507531659.db2.gz WCHQPVNROYDMEN-UHFFFAOYSA-N 1 2 361.348 3.137 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602456293 507715948 /nfs/dbraw/zinc/71/59/48/507715948.db2.gz WZPFRAOJXLOFFD-CYBMUJFWSA-N 1 2 359.348 3.104 20 5 FGBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602456293 507715953 /nfs/dbraw/zinc/71/59/53/507715953.db2.gz WZPFRAOJXLOFFD-CYBMUJFWSA-N 1 2 359.348 3.104 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000587846385 507719182 /nfs/dbraw/zinc/71/91/82/507719182.db2.gz GBXYXXJGXKPTLM-UHFFFAOYSA-N 1 2 369.421 3.128 20 5 FGBDLO O=C(NCc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031813764 695739618 /nfs/dbraw/zinc/73/96/18/695739618.db2.gz GMGVKHXWNWCYEH-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](C)O2 ZINC000373967588 713888778 /nfs/dbraw/zinc/88/87/78/713888778.db2.gz HTURTWRQOJGNEM-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](C)O2 ZINC000373967588 713888780 /nfs/dbraw/zinc/88/87/80/713888780.db2.gz HTURTWRQOJGNEM-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](C)O2 ZINC000373967589 713889033 /nfs/dbraw/zinc/88/90/33/713889033.db2.gz HTURTWRQOJGNEM-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](C)O2 ZINC000373967589 713889038 /nfs/dbraw/zinc/88/90/38/713889038.db2.gz HTURTWRQOJGNEM-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000446348898 714035409 /nfs/dbraw/zinc/03/54/09/714035409.db2.gz NHIBJRMVQUISLE-LBPRGKRZSA-N 1 2 362.817 3.310 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804616000 724534509 /nfs/dbraw/zinc/53/45/09/724534509.db2.gz HWZYIVSEWQMSCX-GFCCVEGCSA-N 1 2 362.411 3.448 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492576 722516871 /nfs/dbraw/zinc/51/68/71/722516871.db2.gz KCERLFPZBFYMFU-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492576 722516872 /nfs/dbraw/zinc/51/68/72/722516872.db2.gz KCERLFPZBFYMFU-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736072715 722521882 /nfs/dbraw/zinc/52/18/82/722521882.db2.gz QSWDPWGVQQASHY-AWEZNQCLSA-N 1 2 350.806 3.289 20 5 FGBDLO O=C(OCC1(C(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739335656 722532693 /nfs/dbraw/zinc/53/26/93/722532693.db2.gz MZPIMGBNUWTYKS-UHFFFAOYSA-N 1 2 355.272 3.280 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000749812320 722742839 /nfs/dbraw/zinc/74/28/39/722742839.db2.gz TYQDTGVQYJJXQG-GFCCVEGCSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000749812320 722742840 /nfs/dbraw/zinc/74/28/40/722742840.db2.gz TYQDTGVQYJJXQG-GFCCVEGCSA-N 1 2 353.394 3.175 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790361 722871686 /nfs/dbraw/zinc/87/16/86/722871686.db2.gz RZWFCRRPBTVTCJ-UHFFFAOYSA-N 1 2 360.336 3.069 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752790361 722871688 /nfs/dbraw/zinc/87/16/88/722871688.db2.gz RZWFCRRPBTVTCJ-UHFFFAOYSA-N 1 2 360.336 3.069 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753821016 722914570 /nfs/dbraw/zinc/91/45/70/722914570.db2.gz WXJUWUNJTVLDMZ-GFCCVEGCSA-N 1 2 363.215 3.443 20 5 FGBDLO Cc1cccn2cc(CC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[nH+]c12 ZINC000756991750 722972974 /nfs/dbraw/zinc/97/29/74/722972974.db2.gz VGSNVXRJXNWZIE-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000765490324 723516950 /nfs/dbraw/zinc/51/69/50/723516950.db2.gz LVUYCHXSFKHYTC-NSHDSACASA-N 1 2 364.789 3.073 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805763722 725092782 /nfs/dbraw/zinc/09/27/82/725092782.db2.gz WBLAWOOGPKUFGX-OAHLLOKOSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805763722 725092785 /nfs/dbraw/zinc/09/27/85/725092785.db2.gz WBLAWOOGPKUFGX-OAHLLOKOSA-N 1 2 353.394 3.177 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000830594192 729574261 /nfs/dbraw/zinc/57/42/61/729574261.db2.gz POGYVHHNOVTNSU-GFCCVEGCSA-N 1 2 362.817 3.310 20 5 FGBDLO Cn1c(Cl)ncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848887814 731217834 /nfs/dbraw/zinc/21/78/34/731217834.db2.gz FTGKOZCHTCHMMS-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852416651 731581753 /nfs/dbraw/zinc/58/17/53/731581753.db2.gz DWFDCJGMILYGHX-IUCAKERBSA-N 1 2 354.819 3.383 20 5 FGBDLO Cc1c(Cl)cc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000857901625 732167910 /nfs/dbraw/zinc/16/79/10/732167910.db2.gz MDTYFWXMKXVCEW-SECBINFHSA-N 1 2 367.814 3.092 20 5 FGBDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866620426 733375301 /nfs/dbraw/zinc/37/53/01/733375301.db2.gz MSAWDVQPHAQSIH-ZETCQYMHSA-N 1 2 357.233 3.247 20 5 FGBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1=CCSC1 ZINC000878998593 736943772 /nfs/dbraw/zinc/94/37/72/736943772.db2.gz RSVLKDFHLOLKAB-UHFFFAOYSA-N 1 2 366.830 3.403 20 5 FGBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1=CCSC1 ZINC000878998593 736943774 /nfs/dbraw/zinc/94/37/74/736943774.db2.gz RSVLKDFHLOLKAB-UHFFFAOYSA-N 1 2 366.830 3.403 20 5 FGBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892608026 740022356 /nfs/dbraw/zinc/02/23/56/740022356.db2.gz XYKBDKHQXMYPIL-SNVBAGLBSA-N 1 2 350.346 3.308 20 5 FGBDLO Cc1[nH]c([C@@H]2CCCN2c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH+]c1C ZINC000895196918 742386328 /nfs/dbraw/zinc/38/63/28/742386328.db2.gz NSOXXVAFRKLYFR-VIFPVBQESA-N 1 2 358.324 3.029 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000895483820 742418353 /nfs/dbraw/zinc/41/83/53/742418353.db2.gz COONVBULVGPNNF-UHFFFAOYSA-N 1 2 358.370 3.326 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@H](F)C3)o2)c(Cl)c1 ZINC000898192991 742755795 /nfs/dbraw/zinc/75/57/95/742755795.db2.gz NIBYFCUCSXZABO-CABCVRRESA-N 1 2 354.765 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](F)C3)o2)c(Cl)c1 ZINC000898192991 742755799 /nfs/dbraw/zinc/75/57/99/742755799.db2.gz NIBYFCUCSXZABO-CABCVRRESA-N 1 2 354.765 3.413 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000901039701 743217048 /nfs/dbraw/zinc/21/70/48/743217048.db2.gz HJLVADGSECDIEH-YGRLFVJLSA-N 1 2 366.780 3.307 20 5 FGBDLO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286757 743834529 /nfs/dbraw/zinc/83/45/29/743834529.db2.gz GDUQVWPJBKGSTR-BZNIZROVSA-N 1 2 364.398 3.303 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000929853277 760471072 /nfs/dbraw/zinc/47/10/72/760471072.db2.gz ICSPRLXQOKGLEZ-UONOGXRCSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000929853277 760471079 /nfs/dbraw/zinc/47/10/79/760471079.db2.gz ICSPRLXQOKGLEZ-UONOGXRCSA-N 1 2 373.272 3.064 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933973454 761510394 /nfs/dbraw/zinc/51/03/94/761510394.db2.gz KGOKPNJUEBSESK-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933973454 761510399 /nfs/dbraw/zinc/51/03/99/761510399.db2.gz KGOKPNJUEBSESK-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1[N+](=O)[O-] ZINC000107683407 209278986 /nfs/dbraw/zinc/27/89/86/209278986.db2.gz UNIGAZCZZFWAQF-UHFFFAOYSA-N 1 2 372.425 3.165 20 5 FGBDLO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075941718 493797677 /nfs/dbraw/zinc/79/76/77/493797677.db2.gz RMBOASYZHGFPFZ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075941718 493797684 /nfs/dbraw/zinc/79/76/84/493797684.db2.gz RMBOASYZHGFPFZ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc[nH+]c1N(C)C ZINC000068378384 493806866 /nfs/dbraw/zinc/80/68/66/493806866.db2.gz PRXPDJILPWEOQU-JTQLQIEISA-N 1 2 364.789 3.115 20 5 FGBDLO CC[N@H+](CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000029187470 493824530 /nfs/dbraw/zinc/82/45/30/493824530.db2.gz GKGOZCPRZXEWEU-UHFFFAOYSA-N 1 2 367.409 3.160 20 5 FGBDLO CC[N@@H+](CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000029187470 493824534 /nfs/dbraw/zinc/82/45/34/493824534.db2.gz GKGOZCPRZXEWEU-UHFFFAOYSA-N 1 2 367.409 3.160 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030012098 493873703 /nfs/dbraw/zinc/87/37/03/493873703.db2.gz NHWCVVFGFRMQDE-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000030221076 493880884 /nfs/dbraw/zinc/88/08/84/493880884.db2.gz QKAYDUYJIDORKL-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050964814 493940563 /nfs/dbraw/zinc/94/05/63/493940563.db2.gz WVQJOHPULLSVPT-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1cccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1C ZINC000051121780 493949925 /nfs/dbraw/zinc/94/99/25/493949925.db2.gz ZZVKUHYKLURFKK-UHFFFAOYSA-N 1 2 365.437 3.410 20 5 FGBDLO Cc1cccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451853 493970680 /nfs/dbraw/zinc/97/06/80/493970680.db2.gz HVXGJNVJWDEOCA-QGZVFWFLSA-N 1 2 353.378 3.207 20 5 FGBDLO CC(C)c1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000032625653 494001121 /nfs/dbraw/zinc/00/11/21/494001121.db2.gz YVMIPDNARBKSKR-UHFFFAOYSA-N 1 2 358.383 3.008 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 ZINC000032638908 494002227 /nfs/dbraw/zinc/00/22/27/494002227.db2.gz PKYFUXDEMPHJQX-INIZCTEOSA-N 1 2 363.377 3.153 20 5 FGBDLO O=C(NCCSc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033220890 494052661 /nfs/dbraw/zinc/05/26/61/494052661.db2.gz MOROQWVWESEXBA-UHFFFAOYSA-N 1 2 368.418 3.303 20 5 FGBDLO CCc1cc(NCCC(=O)OC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064905213 494157966 /nfs/dbraw/zinc/15/79/66/494157966.db2.gz PTDRNPDBAKJWIZ-UHFFFAOYSA-N 1 2 358.398 3.368 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010761858 494160815 /nfs/dbraw/zinc/16/08/15/494160815.db2.gz NACQTAUTFSWJSN-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000010761858 494160817 /nfs/dbraw/zinc/16/08/17/494160817.db2.gz NACQTAUTFSWJSN-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)C1 ZINC000054277832 494215523 /nfs/dbraw/zinc/21/55/23/494215523.db2.gz ZFRBDCRSLQGNIV-SNVBAGLBSA-N 1 2 350.400 3.129 20 5 FGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)C1 ZINC000054277832 494215527 /nfs/dbraw/zinc/21/55/27/494215527.db2.gz ZFRBDCRSLQGNIV-SNVBAGLBSA-N 1 2 350.400 3.129 20 5 FGBDLO Cc1ccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000078632723 494334066 /nfs/dbraw/zinc/33/40/66/494334066.db2.gz RSHAANZPRQQVKZ-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO CCc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)sc1C ZINC000044701627 494375742 /nfs/dbraw/zinc/37/57/42/494375742.db2.gz WLLRNJYWEIZVAB-UHFFFAOYSA-N 1 2 357.395 3.360 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045029820 494392089 /nfs/dbraw/zinc/39/20/89/494392089.db2.gz MKOHARLLPFZTJB-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066849383 494423570 /nfs/dbraw/zinc/42/35/70/494423570.db2.gz HRQQNRXSYCBVNW-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066849383 494423574 /nfs/dbraw/zinc/42/35/74/494423574.db2.gz HRQQNRXSYCBVNW-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073889801 494443552 /nfs/dbraw/zinc/44/35/52/494443552.db2.gz CENUZMDLQKKOAY-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000056825427 494570616 /nfs/dbraw/zinc/57/06/16/494570616.db2.gz GMLDDHQDDGEEFO-UHFFFAOYSA-N 1 2 352.394 3.470 20 5 FGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000023735868 494578738 /nfs/dbraw/zinc/57/87/38/494578738.db2.gz CSDCVTFXLRLUPL-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047258997 494666750 /nfs/dbraw/zinc/66/67/50/494666750.db2.gz ZBHPGDQEQDPOJN-VIFPVBQESA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047258997 494666758 /nfs/dbraw/zinc/66/67/58/494666758.db2.gz ZBHPGDQEQDPOJN-VIFPVBQESA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000580348527 505737803 /nfs/dbraw/zinc/73/78/03/505737803.db2.gz NYGGULIDZMDGMR-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000092784237 494747708 /nfs/dbraw/zinc/74/77/08/494747708.db2.gz SWPNUCZRGLPWLM-KRWDZBQOSA-N 1 2 369.421 3.085 20 5 FGBDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000092784237 494747711 /nfs/dbraw/zinc/74/77/11/494747711.db2.gz SWPNUCZRGLPWLM-KRWDZBQOSA-N 1 2 369.421 3.085 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000092016773 494756111 /nfs/dbraw/zinc/75/61/11/494756111.db2.gz BNKMAPJHVOWTQK-IBGZPJMESA-N 1 2 358.442 3.199 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000092016773 494756119 /nfs/dbraw/zinc/75/61/19/494756119.db2.gz BNKMAPJHVOWTQK-IBGZPJMESA-N 1 2 358.442 3.199 20 5 FGBDLO COC(=O)/C=C/c1ccc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000092826085 494767964 /nfs/dbraw/zinc/76/79/64/494767964.db2.gz CFMVNNQGPOERPM-SOFGYWHQSA-N 1 2 366.377 3.349 20 5 FGBDLO Cc1c(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000116426561 494783543 /nfs/dbraw/zinc/78/35/43/494783543.db2.gz CFPUOLUBXGYYLT-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO Cc1ccc(OCC[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025929808 494791318 /nfs/dbraw/zinc/79/13/18/494791318.db2.gz KLHXDHGZRGPWQJ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cc1ccc(OCC[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025929808 494791323 /nfs/dbraw/zinc/79/13/23/494791323.db2.gz KLHXDHGZRGPWQJ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346498 494820319 /nfs/dbraw/zinc/82/03/19/494820319.db2.gz ZFAJMGDOXDETKA-UHFFFAOYSA-N 1 2 365.336 3.267 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346498 494820321 /nfs/dbraw/zinc/82/03/21/494820321.db2.gz ZFAJMGDOXDETKA-UHFFFAOYSA-N 1 2 365.336 3.267 20 5 FGBDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000126737109 494828837 /nfs/dbraw/zinc/82/88/37/494828837.db2.gz SLEMEQIGUFMFSE-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000109627234 494898357 /nfs/dbraw/zinc/89/83/57/494898357.db2.gz TZLFUQZNYPKAJR-CYBMUJFWSA-N 1 2 357.410 3.160 20 5 FGBDLO CCc1nn(C)c(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000094168332 494956239 /nfs/dbraw/zinc/95/62/39/494956239.db2.gz XYDXDPMQFMJHRV-UHFFFAOYSA-N 1 2 372.473 3.038 20 5 FGBDLO CCc1nn(C)c(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000094168332 494956243 /nfs/dbraw/zinc/95/62/43/494956243.db2.gz XYDXDPMQFMJHRV-UHFFFAOYSA-N 1 2 372.473 3.038 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000127592235 494967159 /nfs/dbraw/zinc/96/71/59/494967159.db2.gz TYFFILAGGNSGMQ-UHFFFAOYSA-N 1 2 369.425 3.397 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123149595 495087665 /nfs/dbraw/zinc/08/76/65/495087665.db2.gz PZXPZPVWFWDZRH-IUODEOHRSA-N 1 2 360.439 3.237 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000119450296 495169615 /nfs/dbraw/zinc/16/96/15/495169615.db2.gz HNHANTDLFJJCEX-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000128994279 495179636 /nfs/dbraw/zinc/17/96/36/495179636.db2.gz FWUUGEOIDNBILR-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000128994279 495179641 /nfs/dbraw/zinc/17/96/41/495179641.db2.gz FWUUGEOIDNBILR-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000123756232 495181357 /nfs/dbraw/zinc/18/13/57/495181357.db2.gz WZQMACDFVAWUKX-UHFFFAOYSA-N 1 2 370.434 3.101 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000571610958 505771970 /nfs/dbraw/zinc/77/19/70/505771970.db2.gz FIPPZDDNNKMGSQ-YZVOILCLSA-N 1 2 364.442 3.150 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000571610958 505771972 /nfs/dbraw/zinc/77/19/72/505771972.db2.gz FIPPZDDNNKMGSQ-YZVOILCLSA-N 1 2 364.442 3.150 20 5 FGBDLO COc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000113318762 495295594 /nfs/dbraw/zinc/29/55/94/495295594.db2.gz SWAVXOGJCUOJFC-UHFFFAOYSA-N 1 2 356.407 3.412 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000120184718 495323730 /nfs/dbraw/zinc/32/37/30/495323730.db2.gz JFTFIKMFFBMIQW-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114725139 495416010 /nfs/dbraw/zinc/41/60/10/495416010.db2.gz IKGHMDDZLASFSQ-UHFFFAOYSA-N 1 2 357.410 3.088 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114725139 495416012 /nfs/dbraw/zinc/41/60/12/495416012.db2.gz IKGHMDDZLASFSQ-UHFFFAOYSA-N 1 2 357.410 3.088 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)cc1F ZINC000130918885 495466921 /nfs/dbraw/zinc/46/69/21/495466921.db2.gz FPUGVFJRMOCDCA-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)cc1F ZINC000130918885 495466926 /nfs/dbraw/zinc/46/69/26/495466926.db2.gz FPUGVFJRMOCDCA-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131086809 495489860 /nfs/dbraw/zinc/48/98/60/495489860.db2.gz KCQTYUMCRICEBR-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131086809 495489862 /nfs/dbraw/zinc/48/98/62/495489862.db2.gz KCQTYUMCRICEBR-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000115411575 495500403 /nfs/dbraw/zinc/50/04/03/495500403.db2.gz PORWWMOXKWXZBS-HNNXBMFYSA-N 1 2 367.327 3.045 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000158542422 495534424 /nfs/dbraw/zinc/53/44/24/495534424.db2.gz YBRWQXKVJAASDG-WMLDXEAASA-N 1 2 370.409 3.222 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000154255767 495559114 /nfs/dbraw/zinc/55/91/14/495559114.db2.gz QTFXXWGFGBXUOT-KRWDZBQOSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000154255767 495559120 /nfs/dbraw/zinc/55/91/20/495559120.db2.gz QTFXXWGFGBXUOT-KRWDZBQOSA-N 1 2 371.441 3.129 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000176339050 495608179 /nfs/dbraw/zinc/60/81/79/495608179.db2.gz KQDGYDUCZXSAOV-UHFFFAOYSA-N 1 2 364.405 3.089 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000150928816 495685088 /nfs/dbraw/zinc/68/50/88/495685088.db2.gz AUGYUXUGKJCVAE-LBPRGKRZSA-N 1 2 362.817 3.077 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000173774411 495686369 /nfs/dbraw/zinc/68/63/69/495686369.db2.gz ILYTWQLIWUGJTR-UHFFFAOYSA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1nc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)oc1C ZINC000182748606 495687609 /nfs/dbraw/zinc/68/76/09/495687609.db2.gz WCWSHZIMIAAGML-OAHLLOKOSA-N 1 2 358.442 3.387 20 5 FGBDLO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182752964 495689350 /nfs/dbraw/zinc/68/93/50/495689350.db2.gz JROZINOZWZSQGY-KGLIPLIRSA-N 1 2 359.430 3.034 20 5 FGBDLO CCc1nsc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182816777 495715176 /nfs/dbraw/zinc/71/51/76/495715176.db2.gz QCSLCRKZPRYUDC-ZDUSSCGKSA-N 1 2 361.471 3.200 20 5 FGBDLO Cc1noc(C)c1CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182861629 495732063 /nfs/dbraw/zinc/73/20/63/495732063.db2.gz YJPQVXGAICZSLL-OAHLLOKOSA-N 1 2 358.442 3.387 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182861629 495732068 /nfs/dbraw/zinc/73/20/68/495732068.db2.gz YJPQVXGAICZSLL-OAHLLOKOSA-N 1 2 358.442 3.387 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000182879074 495739110 /nfs/dbraw/zinc/73/91/10/495739110.db2.gz SQAVYEWFEHEVMT-HNNXBMFYSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179920958 495784351 /nfs/dbraw/zinc/78/43/51/495784351.db2.gz VDSMXWJCNBSWHC-GFCCVEGCSA-N 1 2 361.373 3.056 20 5 FGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000171346148 495830386 /nfs/dbraw/zinc/83/03/86/495830386.db2.gz ZFURJXMTCLTMAK-UHFFFAOYSA-N 1 2 361.423 3.121 20 5 FGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000171346148 495830392 /nfs/dbraw/zinc/83/03/92/495830392.db2.gz ZFURJXMTCLTMAK-UHFFFAOYSA-N 1 2 361.423 3.121 20 5 FGBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183364170 495948824 /nfs/dbraw/zinc/94/88/24/495948824.db2.gz NUJGKVCCGXHXDR-QWRGUYRKSA-N 1 2 356.386 3.099 20 5 FGBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152421932 496145736 /nfs/dbraw/zinc/14/57/36/496145736.db2.gz YFMVBTFZWFCWHC-ZDUSSCGKSA-N 1 2 360.801 3.042 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000175152554 496268564 /nfs/dbraw/zinc/26/85/64/496268564.db2.gz IBOGMEYYLDWIPD-GOSISDBHSA-N 1 2 369.421 3.057 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000175152554 496268567 /nfs/dbraw/zinc/26/85/67/496268567.db2.gz IBOGMEYYLDWIPD-GOSISDBHSA-N 1 2 369.421 3.057 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](CCCS(=O)(=O)c2ccccc2)C2CC2)c1 ZINC000178000094 496282318 /nfs/dbraw/zinc/28/23/18/496282318.db2.gz FSKRRLVZLUXMAP-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCCS(=O)(=O)c2ccccc2)C2CC2)c1 ZINC000178000094 496282322 /nfs/dbraw/zinc/28/23/22/496282322.db2.gz FSKRRLVZLUXMAP-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153059413 496338861 /nfs/dbraw/zinc/33/88/61/496338861.db2.gz BCYXIFZCTHVXJL-UHFFFAOYSA-N 1 2 371.441 3.322 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349662 496427724 /nfs/dbraw/zinc/42/77/24/496427724.db2.gz NKSRXBBIYZTSQT-ZIAGYGMSSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349662 496427729 /nfs/dbraw/zinc/42/77/29/496427729.db2.gz NKSRXBBIYZTSQT-ZIAGYGMSSA-N 1 2 371.412 3.358 20 5 FGBDLO Cc1nc(C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)no1 ZINC000153402466 496444440 /nfs/dbraw/zinc/44/44/40/496444440.db2.gz BWTULJLULFBVNU-UHFFFAOYSA-N 1 2 369.381 3.321 20 5 FGBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184624052 496467591 /nfs/dbraw/zinc/46/75/91/496467591.db2.gz ISKUOUDDKINQBT-YGRLFVJLSA-N 1 2 367.789 3.146 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000153627738 496523939 /nfs/dbraw/zinc/52/39/39/496523939.db2.gz ILKMCJNANFVKBM-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3c(F)cccc3[N+](=O)[O-])c2cc1C ZINC000184777862 496527466 /nfs/dbraw/zinc/52/74/66/496527466.db2.gz NYACGDHSRNECIR-ZDUSSCGKSA-N 1 2 359.357 3.140 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000184777098 496528267 /nfs/dbraw/zinc/52/82/67/496528267.db2.gz RZHGSNLZWATULT-MRXNPFEDSA-N 1 2 366.421 3.436 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000163525245 496528530 /nfs/dbraw/zinc/52/85/30/496528530.db2.gz YFFPKYLNYVQJFV-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000163525245 496528535 /nfs/dbraw/zinc/52/85/35/496528535.db2.gz YFFPKYLNYVQJFV-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178692518 496543427 /nfs/dbraw/zinc/54/34/27/496543427.db2.gz KOSGULMYEJHBQB-KGLIPLIRSA-N 1 2 352.398 3.291 20 5 FGBDLO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157946342 496591824 /nfs/dbraw/zinc/59/18/24/496591824.db2.gz ZEQDXRIXCCQMOW-AWEZNQCLSA-N 1 2 369.421 3.256 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000158076569 496621815 /nfs/dbraw/zinc/62/18/15/496621815.db2.gz FXKFQJHEJPJZPR-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000158076569 496621821 /nfs/dbraw/zinc/62/18/21/496621821.db2.gz FXKFQJHEJPJZPR-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO CN(C)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000179030695 496650315 /nfs/dbraw/zinc/65/03/15/496650315.db2.gz UEEANNAEJLNACV-UHFFFAOYSA-N 1 2 369.450 3.469 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000165950266 496673347 /nfs/dbraw/zinc/67/33/47/496673347.db2.gz JTXNPGOLQNFYME-MRXNPFEDSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000165950266 496673350 /nfs/dbraw/zinc/67/33/50/496673350.db2.gz JTXNPGOLQNFYME-MRXNPFEDSA-N 1 2 373.409 3.116 20 5 FGBDLO O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194973824 496778826 /nfs/dbraw/zinc/77/88/26/496778826.db2.gz BTDRATBVPUDNFQ-JKSUJKDBSA-N 1 2 366.352 3.206 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264152048 496823711 /nfs/dbraw/zinc/82/37/11/496823711.db2.gz AKEFGLBLUCCWFS-HNNXBMFYSA-N 1 2 369.421 3.169 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264265109 496856330 /nfs/dbraw/zinc/85/63/30/496856330.db2.gz QYBZLDHTUBFSJU-CYBMUJFWSA-N 1 2 373.384 3.379 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCC2)CC1 ZINC000195318466 496887210 /nfs/dbraw/zinc/88/72/10/496887210.db2.gz RFZASZKKTVSASP-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000195334550 496892804 /nfs/dbraw/zinc/89/28/04/496892804.db2.gz ZSUKUTRURZCETO-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000195501604 496941698 /nfs/dbraw/zinc/94/16/98/496941698.db2.gz KNWKHVGVSQODJY-UHFFFAOYSA-N 1 2 356.411 3.143 20 5 FGBDLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273918953 496957403 /nfs/dbraw/zinc/95/74/03/496957403.db2.gz FFYOHFYNOJXIHR-UHFFFAOYSA-N 1 2 360.389 3.072 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000192453203 497119922 /nfs/dbraw/zinc/11/99/22/497119922.db2.gz XCQBJYIJRHNMRT-SNVBAGLBSA-N 1 2 354.382 3.406 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000192453203 497119930 /nfs/dbraw/zinc/11/99/30/497119930.db2.gz XCQBJYIJRHNMRT-SNVBAGLBSA-N 1 2 354.382 3.406 20 5 FGBDLO Cc1cc(N2CCOC[C@@H]2C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581008897 505889433 /nfs/dbraw/zinc/88/94/33/505889433.db2.gz HHTPPCGRLQZYTP-QGZVFWFLSA-N 1 2 354.410 3.366 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000574966398 505892806 /nfs/dbraw/zinc/89/28/06/505892806.db2.gz ZZUBNOLXMZCGFY-UHFFFAOYSA-N 1 2 369.425 3.343 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189743440 497229458 /nfs/dbraw/zinc/22/94/58/497229458.db2.gz VMJMWLANYHZBTB-UHFFFAOYSA-N 1 2 361.833 3.171 20 5 FGBDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000266116496 497260055 /nfs/dbraw/zinc/26/00/55/497260055.db2.gz OBIFXQMMFYEUHC-UHFFFAOYSA-N 1 2 373.457 3.379 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278928907 497270496 /nfs/dbraw/zinc/27/04/96/497270496.db2.gz XEGLFKCGGSTRME-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278928907 497270497 /nfs/dbraw/zinc/27/04/97/497270497.db2.gz XEGLFKCGGSTRME-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279044644 497315138 /nfs/dbraw/zinc/31/51/38/497315138.db2.gz YFSMAYOUNCOYMU-UHFFFAOYSA-N 1 2 368.437 3.076 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1Br ZINC000271307587 497317096 /nfs/dbraw/zinc/31/70/96/497317096.db2.gz VYSZLFZMGQGAAF-OCCSQVGLSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)ccc1Br ZINC000271307587 497317101 /nfs/dbraw/zinc/31/71/01/497317101.db2.gz VYSZLFZMGQGAAF-OCCSQVGLSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000190318593 497435580 /nfs/dbraw/zinc/43/55/80/497435580.db2.gz UICWQAUCPREIHK-UHFFFAOYSA-N 1 2 354.382 3.406 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193924572 497522216 /nfs/dbraw/zinc/52/22/16/497522216.db2.gz QKLIUVFXJOBVRP-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]2C1 ZINC000246195245 497655171 /nfs/dbraw/zinc/65/51/71/497655171.db2.gz DOAZMSHNDMTVBJ-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]2C1 ZINC000246195245 497655172 /nfs/dbraw/zinc/65/51/72/497655172.db2.gz DOAZMSHNDMTVBJ-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000268115816 497680770 /nfs/dbraw/zinc/68/07/70/497680770.db2.gz JWJATZVGNVNCQS-CYBMUJFWSA-N 1 2 373.384 3.379 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280248588 497695806 /nfs/dbraw/zinc/69/58/06/497695806.db2.gz BIEWEAUOUHJSKM-ZDUSSCGKSA-N 1 2 356.300 3.317 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCCO)CC1 ZINC000272957290 497771868 /nfs/dbraw/zinc/77/18/68/497771868.db2.gz NGIUMDQDOQQDNB-LBPRGKRZSA-N 1 2 369.849 3.060 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000280628288 497832713 /nfs/dbraw/zinc/83/27/13/497832713.db2.gz LMGGKMHWKLZGJD-ZDUSSCGKSA-N 1 2 366.780 3.407 20 5 FGBDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000364281628 497878805 /nfs/dbraw/zinc/87/88/05/497878805.db2.gz VFTGYLFTJIJSKI-UHFFFAOYSA-N 1 2 369.303 3.166 20 5 FGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280774607 497894110 /nfs/dbraw/zinc/89/41/10/497894110.db2.gz HOYQKLXJNICBPY-KSSFIOAISA-N 1 2 362.451 3.167 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)n1 ZINC000285134393 498003515 /nfs/dbraw/zinc/00/35/15/498003515.db2.gz SNMNMDZCSZNSQW-KRWDZBQOSA-N 1 2 366.425 3.409 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)n1 ZINC000285134393 498003522 /nfs/dbraw/zinc/00/35/22/498003522.db2.gz SNMNMDZCSZNSQW-KRWDZBQOSA-N 1 2 366.425 3.409 20 5 FGBDLO Cc1ccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301303662 498049131 /nfs/dbraw/zinc/04/91/31/498049131.db2.gz SMYHDXSATRSZSA-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000281435013 498149841 /nfs/dbraw/zinc/14/98/41/498149841.db2.gz PNHWDNIOLQQAFH-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000281435013 498149848 /nfs/dbraw/zinc/14/98/48/498149848.db2.gz PNHWDNIOLQQAFH-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285660780 498162944 /nfs/dbraw/zinc/16/29/44/498162944.db2.gz PAMOQTAWKULBQJ-VOIUYBSRSA-N 1 2 354.378 3.082 20 5 FGBDLO Cc1nn(CCC(=O)OCc2ccc(C(C)C)[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000293015634 498236820 /nfs/dbraw/zinc/23/68/20/498236820.db2.gz KCIMQJLKNFEOER-UHFFFAOYSA-N 1 2 360.414 3.368 20 5 FGBDLO COCC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289771281 498286280 /nfs/dbraw/zinc/28/62/80/498286280.db2.gz KOVDOCIYUUZHMG-UHFFFAOYSA-N 1 2 367.352 3.240 20 5 FGBDLO COCC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289771281 498286286 /nfs/dbraw/zinc/28/62/86/498286286.db2.gz KOVDOCIYUUZHMG-UHFFFAOYSA-N 1 2 367.352 3.240 20 5 FGBDLO CC(C)C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293570647 498414581 /nfs/dbraw/zinc/41/45/81/498414581.db2.gz SQRDTTJZKPXDDL-UHFFFAOYSA-N 1 2 373.375 3.350 20 5 FGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)[S@]1=O ZINC000286503160 498418942 /nfs/dbraw/zinc/41/89/42/498418942.db2.gz YKTQMPQETDBPAZ-XPDPZLQSSA-N 1 2 374.466 3.096 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290084743 498423068 /nfs/dbraw/zinc/42/30/68/498423068.db2.gz ZFWJWIVSYUJZNR-LBPRGKRZSA-N 1 2 354.769 3.039 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290084743 498423074 /nfs/dbraw/zinc/42/30/74/498423074.db2.gz ZFWJWIVSYUJZNR-LBPRGKRZSA-N 1 2 354.769 3.039 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000302174894 498427906 /nfs/dbraw/zinc/42/79/06/498427906.db2.gz WNAFZWSQKNESDQ-CYBMUJFWSA-N 1 2 365.796 3.254 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000302174894 498427915 /nfs/dbraw/zinc/42/79/15/498427915.db2.gz WNAFZWSQKNESDQ-CYBMUJFWSA-N 1 2 365.796 3.254 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282494176 498533948 /nfs/dbraw/zinc/53/39/48/498533948.db2.gz QDSFDLRMBHDPMW-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282494176 498533953 /nfs/dbraw/zinc/53/39/53/498533953.db2.gz QDSFDLRMBHDPMW-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1F ZINC000282555275 498557680 /nfs/dbraw/zinc/55/76/80/498557680.db2.gz SYJZGPSNAJPWJD-UHFFFAOYSA-N 1 2 366.339 3.496 20 5 FGBDLO O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000302950735 498632545 /nfs/dbraw/zinc/63/25/45/498632545.db2.gz ANINJWPQDMOXPL-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000365789762 498641508 /nfs/dbraw/zinc/64/15/08/498641508.db2.gz MZTMKIRKVJYJSL-CQSZACIVSA-N 1 2 372.428 3.045 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000365800652 498645730 /nfs/dbraw/zinc/64/57/30/498645730.db2.gz ZCGWEZIYJFPDRQ-CYBMUJFWSA-N 1 2 373.369 3.143 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000365800652 498645742 /nfs/dbraw/zinc/64/57/42/498645742.db2.gz ZCGWEZIYJFPDRQ-CYBMUJFWSA-N 1 2 373.369 3.143 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)cc2[nH+]c1C1CC1 ZINC000282834539 498673113 /nfs/dbraw/zinc/67/31/13/498673113.db2.gz DRZFVGGQTJWASN-UHFFFAOYSA-N 1 2 368.368 3.428 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000365994757 498724015 /nfs/dbraw/zinc/72/40/15/498724015.db2.gz QMZDZWSWHPVYBX-VXGBXAGGSA-N 1 2 360.801 3.354 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000294686337 498773752 /nfs/dbraw/zinc/77/37/52/498773752.db2.gz XCFRMKZQGHXYPJ-UHFFFAOYSA-N 1 2 368.315 3.287 20 5 FGBDLO Cc1nnc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000291170829 498827238 /nfs/dbraw/zinc/82/72/38/498827238.db2.gz QXTNZIIYTRDPNX-UHFFFAOYSA-N 1 2 356.411 3.175 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000581956270 506099367 /nfs/dbraw/zinc/09/93/67/506099367.db2.gz GWVNJBYLWIATHT-VIFPVBQESA-N 1 2 368.283 3.018 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000581956270 506099372 /nfs/dbraw/zinc/09/93/72/506099372.db2.gz GWVNJBYLWIATHT-VIFPVBQESA-N 1 2 368.283 3.018 20 5 FGBDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581978016 506104148 /nfs/dbraw/zinc/10/41/48/506104148.db2.gz LOWGONXWXVYPFQ-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291279247 498874718 /nfs/dbraw/zinc/87/47/18/498874718.db2.gz ZZTQWLMHDCFHRX-QGZVFWFLSA-N 1 2 352.394 3.185 20 5 FGBDLO CCOC(=O)c1ccnc(N2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000363670105 498935657 /nfs/dbraw/zinc/93/56/57/498935657.db2.gz GLHOLEJRXJLUPC-UHFFFAOYSA-N 1 2 370.409 3.254 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000291973821 499114686 /nfs/dbraw/zinc/11/46/86/499114686.db2.gz PDNAFYSTNOKUTH-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000291973821 499114690 /nfs/dbraw/zinc/11/46/90/499114690.db2.gz PDNAFYSTNOKUTH-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000367464639 499201907 /nfs/dbraw/zinc/20/19/07/499201907.db2.gz VENQNHZBRHTWGB-UHFFFAOYSA-N 1 2 354.366 3.496 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000367464639 499201908 /nfs/dbraw/zinc/20/19/08/499201908.db2.gz VENQNHZBRHTWGB-UHFFFAOYSA-N 1 2 354.366 3.496 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000370356056 499212758 /nfs/dbraw/zinc/21/27/58/499212758.db2.gz WWRPZEQBNGPBCD-MRXNPFEDSA-N 1 2 360.435 3.336 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370535353 499229677 /nfs/dbraw/zinc/22/96/77/499229677.db2.gz YCULHPAWUHVJHM-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370535353 499229679 /nfs/dbraw/zinc/22/96/79/499229679.db2.gz YCULHPAWUHVJHM-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368852319 499339655 /nfs/dbraw/zinc/33/96/55/499339655.db2.gz DNENYIFIDAUCQE-CQSZACIVSA-N 1 2 372.381 3.132 20 5 FGBDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368852319 499339657 /nfs/dbraw/zinc/33/96/57/499339657.db2.gz DNENYIFIDAUCQE-CQSZACIVSA-N 1 2 372.381 3.132 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000369009054 499356652 /nfs/dbraw/zinc/35/66/52/499356652.db2.gz KBCBERKZQGQXMM-LBPRGKRZSA-N 1 2 365.777 3.190 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000369009054 499356653 /nfs/dbraw/zinc/35/66/53/499356653.db2.gz KBCBERKZQGQXMM-LBPRGKRZSA-N 1 2 365.777 3.190 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372340842 499422914 /nfs/dbraw/zinc/42/29/14/499422914.db2.gz VROCNQNVXSSOPK-LBPRGKRZSA-N 1 2 360.439 3.070 20 5 FGBDLO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000373368012 499465791 /nfs/dbraw/zinc/46/57/91/499465791.db2.gz FNQCGQUBJJRZKM-AWEZNQCLSA-N 1 2 369.421 3.256 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000373702190 499484184 /nfs/dbraw/zinc/48/41/84/499484184.db2.gz ODSKLQXSUWPRCQ-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375334871 499508234 /nfs/dbraw/zinc/50/82/34/499508234.db2.gz DMEFLGPWSJPBRV-ZDUSSCGKSA-N 1 2 368.397 3.239 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000376687548 499629290 /nfs/dbraw/zinc/62/92/90/499629290.db2.gz HLEPXTAKOLFPDT-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000376687548 499629291 /nfs/dbraw/zinc/62/92/91/499629291.db2.gz HLEPXTAKOLFPDT-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000377174800 499668137 /nfs/dbraw/zinc/66/81/37/499668137.db2.gz BCDRAQBGSPJFGK-UHFFFAOYSA-N 1 2 367.321 3.156 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412049755 499817276 /nfs/dbraw/zinc/81/72/76/499817276.db2.gz WWJFNXZBNZVYPG-DLBZAZTESA-N 1 2 354.410 3.102 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000413269332 499935053 /nfs/dbraw/zinc/93/50/53/499935053.db2.gz NFIMCXULCVSBOR-BIENJYKASA-N 1 2 357.410 3.306 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@](O)(C(F)(F)F)CC3)c2c1 ZINC000413282611 499936787 /nfs/dbraw/zinc/93/67/87/499936787.db2.gz PWGSDGWOMQCCLI-OAHLLOKOSA-N 1 2 355.316 3.427 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429124519 500008020 /nfs/dbraw/zinc/00/80/20/500008020.db2.gz AZBFVWUJBPLEHI-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429124519 500008024 /nfs/dbraw/zinc/00/80/24/500008024.db2.gz AZBFVWUJBPLEHI-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO Cc1cc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421377502 500032798 /nfs/dbraw/zinc/03/27/98/500032798.db2.gz JUTVUYNAZLIPBV-SFHVURJKSA-N 1 2 351.410 3.219 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429288541 500042839 /nfs/dbraw/zinc/04/28/39/500042839.db2.gz WNOMDXOGXLKLMY-UHFFFAOYSA-N 1 2 363.849 3.083 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429288541 500042843 /nfs/dbraw/zinc/04/28/43/500042843.db2.gz WNOMDXOGXLKLMY-UHFFFAOYSA-N 1 2 363.849 3.083 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000429786190 500145103 /nfs/dbraw/zinc/14/51/03/500145103.db2.gz STOZLEUUQRSNBE-UHFFFAOYSA-N 1 2 352.272 3.415 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000421870457 500166720 /nfs/dbraw/zinc/16/67/20/500166720.db2.gz AOWAZASBXIKVKN-KRWDZBQOSA-N 1 2 357.385 3.137 20 5 FGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430201059 500207988 /nfs/dbraw/zinc/20/79/88/500207988.db2.gz ITHMXFJWVUHCNF-INIZCTEOSA-N 1 2 352.337 3.359 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000576575395 506190430 /nfs/dbraw/zinc/19/04/30/506190430.db2.gz UVPNEPBHXXITDM-SIFCLUCFSA-N 1 2 373.453 3.203 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000576575395 506190434 /nfs/dbraw/zinc/19/04/34/506190434.db2.gz UVPNEPBHXXITDM-SIFCLUCFSA-N 1 2 373.453 3.203 20 5 FGBDLO Cc1cc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420787340 500501000 /nfs/dbraw/zinc/50/10/00/500501000.db2.gz CBFYPWGZLIOTCS-UHFFFAOYSA-N 1 2 356.426 3.429 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421020786 500555862 /nfs/dbraw/zinc/55/58/62/500555862.db2.gz NROVMIXGDRXBGT-LIRRHRJNSA-N 1 2 364.442 3.393 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421020786 500555865 /nfs/dbraw/zinc/55/58/65/500555865.db2.gz NROVMIXGDRXBGT-LIRRHRJNSA-N 1 2 364.442 3.393 20 5 FGBDLO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436973106 500583865 /nfs/dbraw/zinc/58/38/65/500583865.db2.gz RJGPSVUWRNYQIL-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436973106 500583868 /nfs/dbraw/zinc/58/38/68/500583868.db2.gz RJGPSVUWRNYQIL-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000432927636 500592342 /nfs/dbraw/zinc/59/23/42/500592342.db2.gz NMZMPURDHIVGSK-CYBMUJFWSA-N 1 2 373.409 3.166 20 5 FGBDLO Cc1ccccc1OCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447802402 500665083 /nfs/dbraw/zinc/66/50/83/500665083.db2.gz KLKXGERCHDALDY-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1F ZINC000447814097 500668116 /nfs/dbraw/zinc/66/81/16/500668116.db2.gz YIRBCJRDJJKXDZ-UHFFFAOYSA-N 1 2 359.401 3.487 20 5 FGBDLO Cc1nc2[nH]ccc2c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000433773527 500741602 /nfs/dbraw/zinc/74/16/02/500741602.db2.gz HDQQGJDQGQROTD-UHFFFAOYSA-N 1 2 353.382 3.222 20 5 FGBDLO Cc1cc(N(CC2CCC2)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439121322 500859581 /nfs/dbraw/zinc/85/95/81/500859581.db2.gz VCQXWKSQXRYMIO-CQSZACIVSA-N 1 2 356.426 3.348 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2cnn(C)c2)c(C)[nH+]1 ZINC000449348814 500983903 /nfs/dbraw/zinc/98/39/03/500983903.db2.gz VVKYGHJPLZWRQX-UHFFFAOYSA-N 1 2 367.409 3.131 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449496840 501017630 /nfs/dbraw/zinc/01/76/30/501017630.db2.gz HSAPMIHCZSDFHB-QGZVFWFLSA-N 1 2 374.462 3.378 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449496840 501017632 /nfs/dbraw/zinc/01/76/32/501017632.db2.gz HSAPMIHCZSDFHB-QGZVFWFLSA-N 1 2 374.462 3.378 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823671 501037732 /nfs/dbraw/zinc/03/77/32/501037732.db2.gz HXIKYHHXSUHSHY-PDTSHOSPSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823671 501037733 /nfs/dbraw/zinc/03/77/33/501037733.db2.gz HXIKYHHXSUHSHY-PDTSHOSPSA-N 1 2 356.382 3.074 20 5 FGBDLO Cc1nc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000450335981 501094194 /nfs/dbraw/zinc/09/41/94/501094194.db2.gz NMVOUGNQWPHRGY-LBPRGKRZSA-N 1 2 363.368 3.048 20 5 FGBDLO Cc1nc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000450335981 501094196 /nfs/dbraw/zinc/09/41/96/501094196.db2.gz NMVOUGNQWPHRGY-LBPRGKRZSA-N 1 2 363.368 3.048 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000441435236 501138038 /nfs/dbraw/zinc/13/80/38/501138038.db2.gz MIXUVDCOFKSMDV-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000450523799 501144175 /nfs/dbraw/zinc/14/41/75/501144175.db2.gz JTXAUBGXZAMIDA-KUHUBIRLSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441497562 501148553 /nfs/dbraw/zinc/14/85/53/501148553.db2.gz CCYFGDHNRIGMFX-YWZLYKJASA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441497562 501148555 /nfs/dbraw/zinc/14/85/55/501148555.db2.gz CCYFGDHNRIGMFX-YWZLYKJASA-N 1 2 372.421 3.444 20 5 FGBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000598943042 506236852 /nfs/dbraw/zinc/23/68/52/506236852.db2.gz FLLRFTSLMDEAKD-GFCCVEGCSA-N 1 2 372.450 3.181 20 5 FGBDLO CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450039386 501161336 /nfs/dbraw/zinc/16/13/36/501161336.db2.gz MJXQNUZDGHAOMH-XJKSGUPXSA-N 1 2 360.439 3.185 20 5 FGBDLO CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450650937 501176865 /nfs/dbraw/zinc/17/68/65/501176865.db2.gz DEMFCNWBLXHUBG-DLBZAZTESA-N 1 2 372.425 3.102 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450700870 501189134 /nfs/dbraw/zinc/18/91/34/501189134.db2.gz FMRXXAWTUGGHOE-KZNAEPCWSA-N 1 2 368.437 3.490 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450833426 501215331 /nfs/dbraw/zinc/21/53/31/501215331.db2.gz SXBCJADSMHEKSR-PELKAZGASA-N 1 2 350.762 3.349 20 5 FGBDLO Cc1cc(N2CCC[C@@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450881876 501223438 /nfs/dbraw/zinc/22/34/38/501223438.db2.gz MPWKVSASVAZEKY-LJQANCHMSA-N 1 2 354.410 3.367 20 5 FGBDLO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867457 501223937 /nfs/dbraw/zinc/22/39/37/501223937.db2.gz COFOPWLJHQKZQR-UHFFFAOYSA-N 1 2 371.437 3.285 20 5 FGBDLO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436890944 501228535 /nfs/dbraw/zinc/22/85/35/501228535.db2.gz GTIUSWMXELEYLC-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456293828 501489972 /nfs/dbraw/zinc/48/99/72/501489972.db2.gz XNVLECHEDKAFHX-YJBOKZPZSA-N 1 2 352.394 3.041 20 5 FGBDLO CC1(C)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[S@]1=O ZINC000602685180 506262740 /nfs/dbraw/zinc/26/27/40/506262740.db2.gz YOWTXKUJAOFZOM-XMMPIXPASA-N 1 2 364.389 3.347 20 5 FGBDLO C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458891242 501554011 /nfs/dbraw/zinc/55/40/11/501554011.db2.gz RUTWHNVVJZIBHE-GJZGRUSLSA-N 1 2 371.441 3.054 20 5 FGBDLO COc1cccnc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602680732 506260327 /nfs/dbraw/zinc/26/03/27/506260327.db2.gz GKCUYVKTESLVPS-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2n1[C@@H](C)CO ZINC000456711459 501584011 /nfs/dbraw/zinc/58/40/11/501584011.db2.gz LZFQAEDKUDCUAP-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO CC1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[S@]1=O ZINC000602685180 506262729 /nfs/dbraw/zinc/26/27/29/506262729.db2.gz YOWTXKUJAOFZOM-XMMPIXPASA-N 1 2 364.389 3.347 20 5 FGBDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000453022551 501602969 /nfs/dbraw/zinc/60/29/69/501602969.db2.gz BTGOBPFLKLOUPR-KRWDZBQOSA-N 1 2 366.483 3.269 20 5 FGBDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000453022551 501602971 /nfs/dbraw/zinc/60/29/71/501602971.db2.gz BTGOBPFLKLOUPR-KRWDZBQOSA-N 1 2 366.483 3.269 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596112695 506264933 /nfs/dbraw/zinc/26/49/33/506264933.db2.gz SENDPRUUCFWYBL-LLVKDONJSA-N 1 2 351.204 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c(F)c1 ZINC000481271891 501729468 /nfs/dbraw/zinc/72/94/68/501729468.db2.gz UGLOXHLMAYHGHQ-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO CSc1cccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000460333843 501794459 /nfs/dbraw/zinc/79/44/59/501794459.db2.gz IRNAOCQXKGOBBV-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(F)(F)F ZINC000477958799 501840520 /nfs/dbraw/zinc/84/05/20/501840520.db2.gz AIMCKEBXKCHNDP-SNVBAGLBSA-N 1 2 356.304 3.193 20 5 FGBDLO CCOC(=O)c1cc(NCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000467796170 501875931 /nfs/dbraw/zinc/87/59/31/501875931.db2.gz DJMHTEGPOAHVTP-UHFFFAOYSA-N 1 2 354.366 3.340 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000471045035 501901521 /nfs/dbraw/zinc/90/15/21/501901521.db2.gz QDFPTOVMJCJRMF-ZDUSSCGKSA-N 1 2 365.384 3.065 20 5 FGBDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467977790 501918545 /nfs/dbraw/zinc/91/85/45/501918545.db2.gz DMODSUOFNCNCDX-INIZCTEOSA-N 1 2 362.813 3.165 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000460819429 501928633 /nfs/dbraw/zinc/92/86/33/501928633.db2.gz HWVAIQKLGFUZSF-UHFFFAOYSA-N 1 2 364.365 3.249 20 5 FGBDLO CCOc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471249200 501967277 /nfs/dbraw/zinc/96/72/77/501967277.db2.gz IWEVFBAECUKORP-LJQANCHMSA-N 1 2 371.437 3.479 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000471256662 501969483 /nfs/dbraw/zinc/96/94/83/501969483.db2.gz DEOTUMKOEUTWJG-UHFFFAOYSA-N 1 2 368.368 3.412 20 5 FGBDLO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691273 502065749 /nfs/dbraw/zinc/06/57/49/502065749.db2.gz OMCUEFBAGPIEKR-SMDDNHRTSA-N 1 2 366.311 3.020 20 5 FGBDLO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691273 502065753 /nfs/dbraw/zinc/06/57/53/502065753.db2.gz OMCUEFBAGPIEKR-SMDDNHRTSA-N 1 2 366.311 3.020 20 5 FGBDLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000482448283 502070859 /nfs/dbraw/zinc/07/08/59/502070859.db2.gz FPYYHBKKAVOXJQ-UHFFFAOYSA-N 1 2 374.784 3.201 20 5 FGBDLO COC(=O)c1cc(NCc2cn3cc(C)ccc3[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000486211055 502083872 /nfs/dbraw/zinc/08/38/72/502083872.db2.gz DBAXJQBFSCAURN-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000475507862 502195544 /nfs/dbraw/zinc/19/55/44/502195544.db2.gz BOYQIYRFJYGSAX-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000475507862 502195550 /nfs/dbraw/zinc/19/55/50/502195550.db2.gz BOYQIYRFJYGSAX-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO Cn1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602801236 506305840 /nfs/dbraw/zinc/30/58/40/506305840.db2.gz NNZRAPCTEDDCKO-UHFFFAOYSA-N 1 2 371.260 3.317 20 5 FGBDLO Cn1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602801236 506305842 /nfs/dbraw/zinc/30/58/42/506305842.db2.gz NNZRAPCTEDDCKO-UHFFFAOYSA-N 1 2 371.260 3.317 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259628 502331918 /nfs/dbraw/zinc/33/19/18/502331918.db2.gz XGCNGIXTCSNRAR-OAHLLOKOSA-N 1 2 370.453 3.087 20 5 FGBDLO C[C@@H](c1ccsc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462452383 502444672 /nfs/dbraw/zinc/44/46/72/502444672.db2.gz QCRRHVHDKYWOKF-HNNXBMFYSA-N 1 2 361.467 3.414 20 5 FGBDLO C[C@@H](c1ccsc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000462475766 502454220 /nfs/dbraw/zinc/45/42/20/502454220.db2.gz XMOQGXXOPDWUOH-HNNXBMFYSA-N 1 2 361.467 3.414 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000599085252 506316112 /nfs/dbraw/zinc/31/61/12/506316112.db2.gz NNMDOQZTJHDIMK-XIRDDKMYSA-N 1 2 354.410 3.202 20 5 FGBDLO O=C1CCCN1[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599086848 506317674 /nfs/dbraw/zinc/31/76/74/506317674.db2.gz VIOPESFSFGIXQZ-OAHLLOKOSA-N 1 2 354.410 3.124 20 5 FGBDLO Cc1cnc(OC2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)nc1 ZINC000599099601 506322300 /nfs/dbraw/zinc/32/23/00/506322300.db2.gz GHHABKXZFJLWNN-UHFFFAOYSA-N 1 2 365.393 3.289 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483975674 502538261 /nfs/dbraw/zinc/53/82/61/502538261.db2.gz KOCUVRVRRLJZCJ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483975674 502538265 /nfs/dbraw/zinc/53/82/65/502538265.db2.gz KOCUVRVRRLJZCJ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000473512142 502617265 /nfs/dbraw/zinc/61/72/65/502617265.db2.gz WCXOYVOEQCFQNB-UHFFFAOYSA-N 1 2 351.341 3.235 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000476949864 502631138 /nfs/dbraw/zinc/63/11/38/502631138.db2.gz IXWOXTRGTCYXCR-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO C[C@H]1CN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000480689167 502643794 /nfs/dbraw/zinc/64/37/94/502643794.db2.gz MAORLIBTIJAYAC-QWRGUYRKSA-N 1 2 363.805 3.395 20 5 FGBDLO CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480691293 502644005 /nfs/dbraw/zinc/64/40/05/502644005.db2.gz FACWLMSBGBLEGH-CQSZACIVSA-N 1 2 369.347 3.220 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470109888 502663969 /nfs/dbraw/zinc/66/39/69/502663969.db2.gz CNPITHIWFYBFRB-UHFFFAOYSA-N 1 2 363.393 3.437 20 5 FGBDLO CCC[C@H](CCO)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463058010 502678704 /nfs/dbraw/zinc/67/87/04/502678704.db2.gz WBXJKHLDVWANNZ-CQSZACIVSA-N 1 2 358.442 3.247 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470147756 502679069 /nfs/dbraw/zinc/67/90/69/502679069.db2.gz QOXOCBZYPMCYKE-UHFFFAOYSA-N 1 2 359.361 3.051 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000470170555 502692074 /nfs/dbraw/zinc/69/20/74/502692074.db2.gz WYUYIBNSCZAKRS-PTNGSMBKSA-N 1 2 370.453 3.421 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000470170555 502692078 /nfs/dbraw/zinc/69/20/78/502692078.db2.gz WYUYIBNSCZAKRS-PTNGSMBKSA-N 1 2 370.453 3.421 20 5 FGBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599118287 506329857 /nfs/dbraw/zinc/32/98/57/506329857.db2.gz LZBUJKYRXNWVFV-KBPBESRZSA-N 1 2 369.412 3.155 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488583960 502758111 /nfs/dbraw/zinc/75/81/11/502758111.db2.gz SJGDZDRCMBDERR-UHFFFAOYSA-N 1 2 354.288 3.061 20 5 FGBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000488673626 502779418 /nfs/dbraw/zinc/77/94/18/502779418.db2.gz PIBREXDLERASFS-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418871 502792724 /nfs/dbraw/zinc/79/27/24/502792724.db2.gz USARQMBFXVONPD-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418871 502792727 /nfs/dbraw/zinc/79/27/27/502792727.db2.gz USARQMBFXVONPD-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO O=C(Nc1nc2cc(F)ccc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488895167 502833209 /nfs/dbraw/zinc/83/32/09/502833209.db2.gz DLMZBHYPHOPPIQ-UHFFFAOYSA-N 1 2 366.312 3.048 20 5 FGBDLO COc1ccc(OCC[N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000509259808 502862203 /nfs/dbraw/zinc/86/22/03/502862203.db2.gz IQIFGWLZLYAMKI-UHFFFAOYSA-N 1 2 352.337 3.392 20 5 FGBDLO COc1ccc(OCC[N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000509259808 502862208 /nfs/dbraw/zinc/86/22/08/502862208.db2.gz IQIFGWLZLYAMKI-UHFFFAOYSA-N 1 2 352.337 3.392 20 5 FGBDLO CS(=O)(=O)c1cccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000500928572 502894833 /nfs/dbraw/zinc/89/48/33/502894833.db2.gz WGIFICXLHJGUFJ-UHFFFAOYSA-N 1 2 372.406 3.001 20 5 FGBDLO Cc1cc(NC[C@H]2Cc3ccccc3O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489314180 502925931 /nfs/dbraw/zinc/92/59/31/502925931.db2.gz PMTUETOIWJETIC-QGZVFWFLSA-N 1 2 362.389 3.198 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509642255 502955094 /nfs/dbraw/zinc/95/50/94/502955094.db2.gz SIVXUVSNFNSVIX-LBPRGKRZSA-N 1 2 356.369 3.427 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509642255 502955098 /nfs/dbraw/zinc/95/50/98/502955098.db2.gz SIVXUVSNFNSVIX-LBPRGKRZSA-N 1 2 356.369 3.427 20 5 FGBDLO COCc1ccccc1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513761037 503017519 /nfs/dbraw/zinc/01/75/19/503017519.db2.gz LSCMEXZPAPMUGO-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO CCOc1ncccc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513763528 503018861 /nfs/dbraw/zinc/01/88/61/503018861.db2.gz YXUYDFZLPQDENE-KRWDZBQOSA-N 1 2 367.409 3.001 20 5 FGBDLO CSC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602920379 506352787 /nfs/dbraw/zinc/35/27/87/506352787.db2.gz NCJDJULJNALHES-SNVBAGLBSA-N 1 2 357.863 3.403 20 5 FGBDLO COc1cc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510549837 503141430 /nfs/dbraw/zinc/14/14/30/503141430.db2.gz FJCDMMQAMSEWNL-UHFFFAOYSA-N 1 2 372.421 3.405 20 5 FGBDLO COc1cc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510549837 503141433 /nfs/dbraw/zinc/14/14/33/503141433.db2.gz FJCDMMQAMSEWNL-UHFFFAOYSA-N 1 2 372.421 3.405 20 5 FGBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000507154716 503240307 /nfs/dbraw/zinc/24/03/07/503240307.db2.gz KTUZKEOUTYUALM-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO COc1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000511058104 503244200 /nfs/dbraw/zinc/24/42/00/503244200.db2.gz DNIAXFZMVOXAOT-UHFFFAOYSA-N 1 2 368.393 3.328 20 5 FGBDLO COc1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000511058104 503244202 /nfs/dbraw/zinc/24/42/02/503244202.db2.gz DNIAXFZMVOXAOT-UHFFFAOYSA-N 1 2 368.393 3.328 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c[nH+]c1N1CCCC[C@H]1C ZINC000503165379 503358765 /nfs/dbraw/zinc/35/87/65/503358765.db2.gz BZVXNCOBTANXHN-CYBMUJFWSA-N 1 2 357.414 3.268 20 5 FGBDLO CCOc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000492528447 503373111 /nfs/dbraw/zinc/37/31/11/503373111.db2.gz AGJKWTNNQFHECE-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000492528447 503373115 /nfs/dbraw/zinc/37/31/15/503373115.db2.gz AGJKWTNNQFHECE-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000512183706 503478995 /nfs/dbraw/zinc/47/89/95/503478995.db2.gz WEGCHICFPGQAMC-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000512183706 503479005 /nfs/dbraw/zinc/47/90/05/503479005.db2.gz WEGCHICFPGQAMC-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OC ZINC000508501105 503506767 /nfs/dbraw/zinc/50/67/67/503506767.db2.gz BECRKJREXMLMCH-UHFFFAOYSA-N 1 2 370.365 3.211 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC000499941137 503517076 /nfs/dbraw/zinc/51/70/76/503517076.db2.gz CFORMVUGQSSNLV-ZDUSSCGKSA-N 1 2 354.765 3.219 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000509006175 503617834 /nfs/dbraw/zinc/61/78/34/503617834.db2.gz IATFCHKGRLUXFZ-WCQYABFASA-N 1 2 358.410 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000509006175 503617836 /nfs/dbraw/zinc/61/78/36/503617836.db2.gz IATFCHKGRLUXFZ-WCQYABFASA-N 1 2 358.410 3.360 20 5 FGBDLO CN(C)c1nccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000495042764 503652000 /nfs/dbraw/zinc/65/20/00/503652000.db2.gz CZLXULQDIGXFRS-IBGZPJMESA-N 1 2 363.421 3.330 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000536663264 503667031 /nfs/dbraw/zinc/66/70/31/503667031.db2.gz AWVJWIUGYYMFTD-DAOPMYJZSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000536663264 503667034 /nfs/dbraw/zinc/66/70/34/503667034.db2.gz AWVJWIUGYYMFTD-DAOPMYJZSA-N 1 2 350.465 3.276 20 5 FGBDLO O=C(C[N@@H+]1CCCC[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000517615760 503786203 /nfs/dbraw/zinc/78/62/03/503786203.db2.gz RKDSRRMZQPGKRN-INIZCTEOSA-N 1 2 355.394 3.304 20 5 FGBDLO O=C(C[N@H+]1CCCC[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000517615760 503786205 /nfs/dbraw/zinc/78/62/05/503786205.db2.gz RKDSRRMZQPGKRN-INIZCTEOSA-N 1 2 355.394 3.304 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543977467 503957371 /nfs/dbraw/zinc/95/73/71/503957371.db2.gz ZDCIJMMKNCXJIZ-UHFFFAOYSA-N 1 2 371.441 3.193 20 5 FGBDLO O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000530747764 504073021 /nfs/dbraw/zinc/07/30/21/504073021.db2.gz KSXUIDUPUAYRBQ-UHFFFAOYSA-N 1 2 366.352 3.339 20 5 FGBDLO COCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000537996720 504105761 /nfs/dbraw/zinc/10/57/61/504105761.db2.gz YJYFJEMQSLNFRB-LBPRGKRZSA-N 1 2 369.849 3.324 20 5 FGBDLO COC(=O)c1cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc([N+](=O)[O-])c1 ZINC000519060097 504129533 /nfs/dbraw/zinc/12/95/33/504129533.db2.gz CJFGTKOORYZMRX-UHFFFAOYSA-N 1 2 366.333 3.024 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510469 504159649 /nfs/dbraw/zinc/15/96/49/504159649.db2.gz SNEMNVYYBQZJAS-CABCVRRESA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510469 504159652 /nfs/dbraw/zinc/15/96/52/504159652.db2.gz SNEMNVYYBQZJAS-CABCVRRESA-N 1 2 365.433 3.319 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1cccc(F)c1 ZINC000534513807 504162882 /nfs/dbraw/zinc/16/28/82/504162882.db2.gz WQOBBHJCUHWSSF-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1cccc(F)c1 ZINC000534513807 504162887 /nfs/dbraw/zinc/16/28/87/504162887.db2.gz WQOBBHJCUHWSSF-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4ccsc4)CC3)nc2c1 ZINC000534529099 504166971 /nfs/dbraw/zinc/16/69/71/504166971.db2.gz XLJUWZGFOAXGOG-UHFFFAOYSA-N 1 2 358.423 3.115 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1[N+](=O)[O-] ZINC000544575935 504179732 /nfs/dbraw/zinc/17/97/32/504179732.db2.gz VRHZGZBWKVQYSJ-LJQANCHMSA-N 1 2 350.378 3.273 20 5 FGBDLO O=[N+]([O-])c1cccc2ncnc(N3CCc4c([nH+]cn4-c4ccccc4)C3)c21 ZINC000541576683 504183550 /nfs/dbraw/zinc/18/35/50/504183550.db2.gz QBHJUQBCWVUTAT-UHFFFAOYSA-N 1 2 372.388 3.286 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000541932749 504306867 /nfs/dbraw/zinc/30/68/67/504306867.db2.gz VJJUKGYVVOUFFG-HUUCEWRRSA-N 1 2 371.441 3.227 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOCC2)cc1OC ZINC000541985817 504324222 /nfs/dbraw/zinc/32/42/22/504324222.db2.gz PCTJBKJCPGQVOG-AWEZNQCLSA-N 1 2 352.431 3.251 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOCC2)cc1OC ZINC000541985817 504324223 /nfs/dbraw/zinc/32/42/23/504324223.db2.gz PCTJBKJCPGQVOG-AWEZNQCLSA-N 1 2 352.431 3.251 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000538763320 504362078 /nfs/dbraw/zinc/36/20/78/504362078.db2.gz VNYOVBLPHURQCM-UHFFFAOYSA-N 1 2 371.441 3.258 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000538763320 504362086 /nfs/dbraw/zinc/36/20/86/504362086.db2.gz VNYOVBLPHURQCM-UHFFFAOYSA-N 1 2 371.441 3.258 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2c[nH+]cn2C)no1 ZINC000545138261 504370450 /nfs/dbraw/zinc/37/04/50/504370450.db2.gz RWHMJFFDBBTMLL-VIFPVBQESA-N 1 2 363.761 3.096 20 5 FGBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531887572 504460236 /nfs/dbraw/zinc/46/02/36/504460236.db2.gz MHCWINXKHCUAOX-UHFFFAOYSA-N 1 2 351.366 3.318 20 5 FGBDLO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539448989 504576184 /nfs/dbraw/zinc/57/61/84/504576184.db2.gz VAWJOYPOCLUVSZ-UHFFFAOYSA-N 1 2 371.437 3.285 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])cc1F ZINC000548920690 504620554 /nfs/dbraw/zinc/62/05/54/504620554.db2.gz IRWVHPXRPNRDIP-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])cc1F ZINC000548920690 504620559 /nfs/dbraw/zinc/62/05/59/504620559.db2.gz IRWVHPXRPNRDIP-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO Cc1cccn2cc(CC(=O)N3CCCc4c([N+](=O)[O-])cccc43)[nH+]c12 ZINC000532802191 504762101 /nfs/dbraw/zinc/76/21/01/504762101.db2.gz INCAQPYPGUGHPI-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO Cc1cc(N[C@H](CO)c2ccc(F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000559423513 504858785 /nfs/dbraw/zinc/85/87/85/504858785.db2.gz RAAUFHJRSWVMNN-QGZVFWFLSA-N 1 2 368.368 3.067 20 5 FGBDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000553336833 504887284 /nfs/dbraw/zinc/88/72/84/504887284.db2.gz LLIUPUINWPXZSQ-INIZCTEOSA-N 1 2 350.378 3.156 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2[nH+]1 ZINC000549770911 504893895 /nfs/dbraw/zinc/89/38/95/504893895.db2.gz FIIPTMXVXKALFS-UHFFFAOYSA-N 1 2 364.365 3.271 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1Cc1ccccc1 ZINC000549828937 504909811 /nfs/dbraw/zinc/90/98/11/504909811.db2.gz RVTLBEAAXVQYHN-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1Cc1ccccc1 ZINC000549828937 504909815 /nfs/dbraw/zinc/90/98/15/504909815.db2.gz RVTLBEAAXVQYHN-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3c(C)cccc3[N+](=O)[O-])c2cc1C ZINC000559721533 504915151 /nfs/dbraw/zinc/91/51/51/504915151.db2.gz CFDOVYXDMVCHRU-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO CN(C)c1ncc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000549930039 504937405 /nfs/dbraw/zinc/93/74/05/504937405.db2.gz HCBBQPGUABYHEB-UHFFFAOYSA-N 1 2 369.347 3.102 20 5 FGBDLO CN(C)c1ncc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000549930039 504937408 /nfs/dbraw/zinc/93/74/08/504937408.db2.gz HCBBQPGUABYHEB-UHFFFAOYSA-N 1 2 369.347 3.102 20 5 FGBDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549930812 504937917 /nfs/dbraw/zinc/93/79/17/504937917.db2.gz BQESTRPWURADRK-QGZVFWFLSA-N 1 2 358.394 3.473 20 5 FGBDLO CCc1cccc(F)c1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560621173 505147242 /nfs/dbraw/zinc/14/72/42/505147242.db2.gz BNQRARWKTKHAJE-UHFFFAOYSA-N 1 2 371.412 3.254 20 5 FGBDLO Cc1ccc2[nH]c(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)nc2c1 ZINC000557806897 505235534 /nfs/dbraw/zinc/23/55/34/505235534.db2.gz HOELQYHAXWIIPW-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO Cc1ccc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000557806897 505235537 /nfs/dbraw/zinc/23/55/37/505235537.db2.gz HOELQYHAXWIIPW-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000566862476 505293803 /nfs/dbraw/zinc/29/38/03/505293803.db2.gz GEZYBNBBHKFRMV-SHTZXODSSA-N 1 2 358.373 3.282 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]ccc1OC ZINC000558249357 505344284 /nfs/dbraw/zinc/34/42/84/505344284.db2.gz CFJGXFFNSYCQRF-UHFFFAOYSA-N 1 2 361.423 3.431 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000555511932 505443458 /nfs/dbraw/zinc/44/34/58/505443458.db2.gz ZGQAOWYNKSJLSS-UHFFFAOYSA-N 1 2 351.366 3.177 20 5 FGBDLO O=C1NCCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000552357515 505470907 /nfs/dbraw/zinc/47/09/07/505470907.db2.gz CVDZXMCLWUYXCM-OJWOGGGRSA-N 1 2 365.433 3.041 20 5 FGBDLO O=C1NCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000552357515 505470910 /nfs/dbraw/zinc/47/09/10/505470910.db2.gz CVDZXMCLWUYXCM-OJWOGGGRSA-N 1 2 365.433 3.041 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])cn3C)ccc2n1C1CC1 ZINC000558813864 505500881 /nfs/dbraw/zinc/50/08/81/505500881.db2.gz KCVJIYSBQXZHJL-UHFFFAOYSA-N 1 2 367.409 3.110 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000589104171 506442310 /nfs/dbraw/zinc/44/23/10/506442310.db2.gz CIXRDYZPKORJLF-UHFFFAOYSA-N 1 2 364.352 3.376 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000589186652 506474991 /nfs/dbraw/zinc/47/49/91/506474991.db2.gz KKJSYMVIDASSBF-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)o1 ZINC000589186652 506474994 /nfs/dbraw/zinc/47/49/94/506474994.db2.gz KKJSYMVIDASSBF-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599380 506482205 /nfs/dbraw/zinc/48/22/05/506482205.db2.gz RXMWHJLJEAAPEO-UHFFFAOYSA-N 1 2 358.442 3.312 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599380 506482214 /nfs/dbraw/zinc/48/22/14/506482214.db2.gz RXMWHJLJEAAPEO-UHFFFAOYSA-N 1 2 358.442 3.312 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000596651274 506511158 /nfs/dbraw/zinc/51/11/58/506511158.db2.gz LOZJTWPNIOTKEY-RTBURBONSA-N 1 2 363.421 3.277 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591488 506517364 /nfs/dbraw/zinc/51/73/64/506517364.db2.gz UWODWMJOJGBMLA-GXTWGEPZSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591488 506517371 /nfs/dbraw/zinc/51/73/71/506517371.db2.gz UWODWMJOJGBMLA-GXTWGEPZSA-N 1 2 374.441 3.271 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000612345420 506537730 /nfs/dbraw/zinc/53/77/30/506537730.db2.gz HEXGVNVSVHJROD-UHFFFAOYSA-N 1 2 354.288 3.327 20 5 FGBDLO O=c1ccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000599635039 506541685 /nfs/dbraw/zinc/54/16/85/506541685.db2.gz JWGSUWMENFQQLD-CQSZACIVSA-N 1 2 368.315 3.446 20 5 FGBDLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000599635039 506541689 /nfs/dbraw/zinc/54/16/89/506541689.db2.gz JWGSUWMENFQQLD-CQSZACIVSA-N 1 2 368.315 3.446 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000589521694 506577662 /nfs/dbraw/zinc/57/76/62/506577662.db2.gz XRWFIOHQJLDBGS-UHFFFAOYSA-N 1 2 350.378 3.380 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000589521694 506577668 /nfs/dbraw/zinc/57/76/68/506577668.db2.gz XRWFIOHQJLDBGS-UHFFFAOYSA-N 1 2 350.378 3.380 20 5 FGBDLO Nc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1[N+](=O)[O-] ZINC000583109676 506593828 /nfs/dbraw/zinc/59/38/28/506593828.db2.gz XCZXGPGLKHCSOL-UHFFFAOYSA-N 1 2 362.349 3.139 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600113293 506781226 /nfs/dbraw/zinc/78/12/26/506781226.db2.gz QJGHXDJNGQNTBL-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000597145309 506797883 /nfs/dbraw/zinc/79/78/83/506797883.db2.gz GYKGVTSTOUNQNF-LJQANCHMSA-N 1 2 370.405 3.026 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000600186012 506829356 /nfs/dbraw/zinc/82/93/56/506829356.db2.gz XFNSQBJDEKMZLF-VXGBXAGGSA-N 1 2 364.352 3.144 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000597202470 506832898 /nfs/dbraw/zinc/83/28/98/506832898.db2.gz CETJVHXAMIGERS-QGZVFWFLSA-N 1 2 373.478 3.230 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597222265 506843842 /nfs/dbraw/zinc/84/38/42/506843842.db2.gz WNSCJRSIBDTMEV-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597222265 506843850 /nfs/dbraw/zinc/84/38/50/506843850.db2.gz WNSCJRSIBDTMEV-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991146 506852704 /nfs/dbraw/zinc/85/27/04/506852704.db2.gz CACPGFXGMCSKQV-FLELRFNZSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991146 506852711 /nfs/dbraw/zinc/85/27/11/506852711.db2.gz CACPGFXGMCSKQV-FLELRFNZSA-N 1 2 356.382 3.074 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC000604503311 506854945 /nfs/dbraw/zinc/85/49/45/506854945.db2.gz OCXZVKMTKJIPMR-QGZVFWFLSA-N 1 2 362.389 3.410 20 5 FGBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1F ZINC000609450906 506885806 /nfs/dbraw/zinc/88/58/06/506885806.db2.gz BAFVRTTZZQAVHZ-ZBEGNZNMSA-N 1 2 361.348 3.329 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059724 506914044 /nfs/dbraw/zinc/91/40/44/506914044.db2.gz ZFIHIRVLGYMZFA-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059724 506914051 /nfs/dbraw/zinc/91/40/51/506914051.db2.gz ZFIHIRVLGYMZFA-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600449735 506959415 /nfs/dbraw/zinc/95/94/15/506959415.db2.gz SRMOHGYFODKCBG-LLVKDONJSA-N 1 2 350.325 3.040 20 5 FGBDLO C[N@H+](CCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1)C1CC1 ZINC000584104568 507155534 /nfs/dbraw/zinc/15/55/34/507155534.db2.gz SVPBRSDVEFEUFB-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO C[N@@H+](CCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1)C1CC1 ZINC000584104568 507155540 /nfs/dbraw/zinc/15/55/40/507155540.db2.gz SVPBRSDVEFEUFB-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610276421 507172829 /nfs/dbraw/zinc/17/28/29/507172829.db2.gz VBSSYZKFPCKVOP-QGZVFWFLSA-N 1 2 364.409 3.398 20 5 FGBDLO Cc1noc([C@@H](C)N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000594603415 507205374 /nfs/dbraw/zinc/20/53/74/507205374.db2.gz WRDMGRXBQSVOKH-LLVKDONJSA-N 1 2 354.370 3.249 20 5 FGBDLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601034971 507237447 /nfs/dbraw/zinc/23/74/47/507237447.db2.gz QZFDOZJFZSCBHP-AWEZNQCLSA-N 1 2 354.410 3.146 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cscn1 ZINC000594709178 507247595 /nfs/dbraw/zinc/24/75/95/507247595.db2.gz DKQGJFXJVMKECY-BDAKNGLRSA-N 1 2 354.819 3.383 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601160131 507282490 /nfs/dbraw/zinc/28/24/90/507282490.db2.gz SWHJLUDSXLCURR-JTQLQIEISA-N 1 2 372.351 3.295 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000610582498 507302837 /nfs/dbraw/zinc/30/28/37/507302837.db2.gz PWGVBEJNUBPUBP-GFCCVEGCSA-N 1 2 369.381 3.376 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000610582498 507302847 /nfs/dbraw/zinc/30/28/47/507302847.db2.gz PWGVBEJNUBPUBP-GFCCVEGCSA-N 1 2 369.381 3.376 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000595020417 507357381 /nfs/dbraw/zinc/35/73/81/507357381.db2.gz YATXVCAGBAOOIN-MEBBXXQBSA-N 1 2 352.337 3.266 20 5 FGBDLO CCc1cc(N[C@H](C)C[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610734904 507369623 /nfs/dbraw/zinc/36/96/23/507369623.db2.gz SZTSJULEZMWIKS-ZIAGYGMSSA-N 1 2 356.426 3.263 20 5 FGBDLO CCc1cc(N[C@H](C)C[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610734902 507370369 /nfs/dbraw/zinc/37/03/69/507370369.db2.gz SZTSJULEZMWIKS-KGLIPLIRSA-N 1 2 356.426 3.263 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541986 507401222 /nfs/dbraw/zinc/40/12/22/507401222.db2.gz GQFUCVNHWWVPTR-QUCCMNQESA-N 1 2 369.396 3.271 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541986 507401234 /nfs/dbraw/zinc/40/12/34/507401234.db2.gz GQFUCVNHWWVPTR-QUCCMNQESA-N 1 2 369.396 3.271 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CCO)c2ccccc2F)c([N+](=O)[O-])cc1F ZINC000592160000 507516622 /nfs/dbraw/zinc/51/66/22/507516622.db2.gz IHTGUFGTKSAPHC-HNNXBMFYSA-N 1 2 352.337 3.095 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644523 507531197 /nfs/dbraw/zinc/53/11/97/507531197.db2.gz OPKYJHMOOKUSDR-HNNXBMFYSA-N 1 2 366.826 3.008 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598650062 507532523 /nfs/dbraw/zinc/53/25/23/507532523.db2.gz QHHYMWORKYUYCC-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598650062 507532529 /nfs/dbraw/zinc/53/25/29/507532529.db2.gz QHHYMWORKYUYCC-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598650061 507533378 /nfs/dbraw/zinc/53/33/78/507533378.db2.gz QHHYMWORKYUYCC-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598650061 507533382 /nfs/dbraw/zinc/53/33/82/507533382.db2.gz QHHYMWORKYUYCC-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595502884 507534849 /nfs/dbraw/zinc/53/48/49/507534849.db2.gz XDGBIQMOLOSWJJ-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595502884 507534853 /nfs/dbraw/zinc/53/48/53/507534853.db2.gz XDGBIQMOLOSWJJ-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602115183 507597500 /nfs/dbraw/zinc/59/75/00/507597500.db2.gz GQQRSXOHFGHNIQ-BXUZGUMPSA-N 1 2 370.331 3.471 20 5 FGBDLO CCC1(CO)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602472699 507719632 /nfs/dbraw/zinc/71/96/32/507719632.db2.gz PEEJZIYPNDWCLO-UHFFFAOYSA-N 1 2 363.277 3.403 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc1-c1ccc(F)cc1 ZINC000485394868 561318088 /nfs/dbraw/zinc/31/80/88/561318088.db2.gz KGBLRRSJEBRBNE-MRXNPFEDSA-N 1 2 372.400 3.071 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)nc1-c1ccc(F)cc1 ZINC000485394868 561318089 /nfs/dbraw/zinc/31/80/89/561318089.db2.gz KGBLRRSJEBRBNE-MRXNPFEDSA-N 1 2 372.400 3.071 20 5 FGBDLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000131513660 700816125 /nfs/dbraw/zinc/81/61/25/700816125.db2.gz QAXLWEKZIZAHNA-ZDUSSCGKSA-N 1 2 368.235 3.380 20 5 FGBDLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000131513660 700816129 /nfs/dbraw/zinc/81/61/29/700816129.db2.gz QAXLWEKZIZAHNA-ZDUSSCGKSA-N 1 2 368.235 3.380 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374029395 713894403 /nfs/dbraw/zinc/89/44/03/713894403.db2.gz XFSXHHBJPQTOFN-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374029395 713894414 /nfs/dbraw/zinc/89/44/14/713894414.db2.gz XFSXHHBJPQTOFN-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO CC(C)CC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000784165176 724827811 /nfs/dbraw/zinc/82/78/11/724827811.db2.gz LJUHXOUCXYBYBS-UHFFFAOYSA-N 1 2 354.472 3.127 20 5 FGBDLO Cc1ccccc1[C@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725776959 722421807 /nfs/dbraw/zinc/42/18/07/722421807.db2.gz ATQVYFRQYLMTMZ-LBPRGKRZSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ccccc1[C@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725776959 722421809 /nfs/dbraw/zinc/42/18/09/722421809.db2.gz ATQVYFRQYLMTMZ-LBPRGKRZSA-N 1 2 365.231 3.309 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492577 722516819 /nfs/dbraw/zinc/51/68/19/722516819.db2.gz KCERLFPZBFYMFU-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492577 722516820 /nfs/dbraw/zinc/51/68/20/722516820.db2.gz KCERLFPZBFYMFU-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671350 722613867 /nfs/dbraw/zinc/61/38/67/722613867.db2.gz JENKVHACRFNSDK-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671350 722613868 /nfs/dbraw/zinc/61/38/68/722613868.db2.gz JENKVHACRFNSDK-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1ccccn1)CC2 ZINC000792912555 723381357 /nfs/dbraw/zinc/38/13/57/723381357.db2.gz KBMFPCWUCKABEV-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1ccccn1)CC2 ZINC000792912555 723381360 /nfs/dbraw/zinc/38/13/60/723381360.db2.gz KBMFPCWUCKABEV-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO CC1CC[NH+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795403614 723588465 /nfs/dbraw/zinc/58/84/65/723588465.db2.gz ZVLXFSSFQJWKTM-UHFFFAOYSA-N 1 2 368.231 3.003 20 5 FGBDLO CC1(C)CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431970 723591017 /nfs/dbraw/zinc/59/10/17/723591017.db2.gz IPHZKTXBPIHCAO-UHFFFAOYSA-N 1 2 368.231 3.003 20 5 FGBDLO CC1(C)CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795431970 723591019 /nfs/dbraw/zinc/59/10/19/723591019.db2.gz IPHZKTXBPIHCAO-UHFFFAOYSA-N 1 2 368.231 3.003 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2c(cccc2Cl)C1=O ZINC000795643916 723604191 /nfs/dbraw/zinc/60/41/91/723604191.db2.gz CTADVORSGQIWHM-UHFFFAOYSA-N 1 2 359.813 3.336 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2c(cccc2Cl)C1=O ZINC000795643916 723604193 /nfs/dbraw/zinc/60/41/93/723604193.db2.gz CTADVORSGQIWHM-UHFFFAOYSA-N 1 2 359.813 3.336 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000796009380 723617351 /nfs/dbraw/zinc/61/73/51/723617351.db2.gz GNZFALNCKRIOSC-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796163740 723624475 /nfs/dbraw/zinc/62/44/75/723624475.db2.gz QHZQXIYOAGXKHF-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796163740 723624476 /nfs/dbraw/zinc/62/44/76/723624476.db2.gz QHZQXIYOAGXKHF-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1Cl ZINC000797285895 723802786 /nfs/dbraw/zinc/80/27/86/723802786.db2.gz LCAOJMZMKXLUEB-AWEZNQCLSA-N 1 2 361.785 3.075 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncccc1Cl ZINC000797285895 723802790 /nfs/dbraw/zinc/80/27/90/723802790.db2.gz LCAOJMZMKXLUEB-AWEZNQCLSA-N 1 2 361.785 3.075 20 5 FGBDLO COCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773720986 723816487 /nfs/dbraw/zinc/81/64/87/723816487.db2.gz CNNJWPXFCSWMIN-LBPRGKRZSA-N 1 2 369.849 3.324 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000776272566 724127052 /nfs/dbraw/zinc/12/70/52/724127052.db2.gz WGJXHIBXEVQDLC-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579609 724161799 /nfs/dbraw/zinc/16/17/99/724161799.db2.gz NZSURQNZUNEVGK-MSOLQXFVSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579609 724161803 /nfs/dbraw/zinc/16/18/03/724161803.db2.gz NZSURQNZUNEVGK-MSOLQXFVSA-N 1 2 362.813 3.355 20 5 FGBDLO CC(C)(C)OC(=O)N1CC[NH+](CCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000800838567 724234927 /nfs/dbraw/zinc/23/49/27/724234927.db2.gz FSVQZABBVXGZBR-UHFFFAOYSA-N 1 2 367.471 3.240 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c(Cl)c1 ZINC000784401406 724849976 /nfs/dbraw/zinc/84/99/76/724849976.db2.gz YPDVFSODOLYEBD-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c(Cl)c1 ZINC000784401406 724849978 /nfs/dbraw/zinc/84/99/78/724849978.db2.gz YPDVFSODOLYEBD-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844406857 730714027 /nfs/dbraw/zinc/71/40/27/730714027.db2.gz CMHWQMCDIIHBJM-UHFFFAOYSA-N 1 2 359.760 3.308 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477522 731169279 /nfs/dbraw/zinc/16/92/79/731169279.db2.gz SDWBGLURJMZGJD-CQSZACIVSA-N 1 2 359.348 3.143 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477522 731169280 /nfs/dbraw/zinc/16/92/80/731169280.db2.gz SDWBGLURJMZGJD-CQSZACIVSA-N 1 2 359.348 3.143 20 5 FGBDLO Cc1cc(Cl)c(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000857899279 732166834 /nfs/dbraw/zinc/16/68/34/732166834.db2.gz BAQSYNJQVWDUHT-JTQLQIEISA-N 1 2 367.814 3.092 20 5 FGBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCCO1 ZINC000877988958 736753782 /nfs/dbraw/zinc/75/37/82/736753782.db2.gz QNQXPYQORHRFKB-LBPRGKRZSA-N 1 2 366.805 3.299 20 5 FGBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCCO1 ZINC000877988958 736753786 /nfs/dbraw/zinc/75/37/86/736753786.db2.gz QNQXPYQORHRFKB-LBPRGKRZSA-N 1 2 366.805 3.299 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(O)ccc1Cl)OCCO2 ZINC000883324692 737554104 /nfs/dbraw/zinc/55/41/04/737554104.db2.gz AJSQECKJAWFDMQ-UHFFFAOYSA-N 1 2 350.758 3.015 20 5 FGBDLO CC(C)(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912614703 757354088 /nfs/dbraw/zinc/35/40/88/757354088.db2.gz RMJVIKCXIJBFEO-UHFFFAOYSA-N 1 2 357.197 3.263 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC000929603533 760418507 /nfs/dbraw/zinc/41/85/07/760418507.db2.gz NLJFGKBJHUGCPD-INIZCTEOSA-N 1 2 365.227 3.355 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)no1 ZINC000931933493 761009045 /nfs/dbraw/zinc/00/90/45/761009045.db2.gz KDWRPVLAXURPFF-SNVBAGLBSA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)no1 ZINC000931933493 761009057 /nfs/dbraw/zinc/00/90/57/761009057.db2.gz KDWRPVLAXURPFF-SNVBAGLBSA-N 1 2 367.203 3.038 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000933255895 761346644 /nfs/dbraw/zinc/34/66/44/761346644.db2.gz FZXVICGVUAZMKI-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO Cc1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000032051585 208023400 /nfs/dbraw/zinc/02/34/00/208023400.db2.gz OKZNYORTCKMYJX-UHFFFAOYSA-N 1 2 363.333 3.482 20 5 FGBDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000573862096 505638227 /nfs/dbraw/zinc/63/82/27/505638227.db2.gz YJYSZVIHSAUMIS-NSHDSACASA-N 1 2 360.267 3.142 20 5 FGBDLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000057522645 493771352 /nfs/dbraw/zinc/77/13/52/493771352.db2.gz INPXBRPUQGBJKN-UHFFFAOYSA-N 1 2 353.422 3.428 20 5 FGBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000081088229 493829401 /nfs/dbraw/zinc/82/94/01/493829401.db2.gz PZDUKQNVFAFKSM-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889949 493864525 /nfs/dbraw/zinc/86/45/25/493864525.db2.gz NMPAUEPTLZNFGS-UHFFFAOYSA-N 1 2 350.378 3.096 20 5 FGBDLO Cc1c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000081317202 493867954 /nfs/dbraw/zinc/86/79/54/493867954.db2.gz FQVLUEKQVOIMGO-QGZVFWFLSA-N 1 2 364.405 3.351 20 5 FGBDLO CSc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000030012334 493874710 /nfs/dbraw/zinc/87/47/10/493874710.db2.gz RBRGYABOCOZWNF-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO Cc1ccccc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000051120976 493950215 /nfs/dbraw/zinc/95/02/15/493950215.db2.gz IFUFOYRCLJGQHY-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1[N+](=O)[O-] ZINC000051315211 493961130 /nfs/dbraw/zinc/96/11/30/493961130.db2.gz CSDBMRBGQXOIRU-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1[N+](=O)[O-] ZINC000051315211 493961132 /nfs/dbraw/zinc/96/11/32/493961132.db2.gz CSDBMRBGQXOIRU-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000081852157 493964066 /nfs/dbraw/zinc/96/40/66/493964066.db2.gz QFWXQFKLMPYAGT-UHFFFAOYSA-N 1 2 368.437 3.473 20 5 FGBDLO Cn1c(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000077209597 494033664 /nfs/dbraw/zinc/03/36/64/494033664.db2.gz SHCFLLJTPIKWKZ-UHFFFAOYSA-N 1 2 359.317 3.183 20 5 FGBDLO NC(=O)c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000071955237 494111361 /nfs/dbraw/zinc/11/13/61/494111361.db2.gz RNTVEKUICQTYJK-UHFFFAOYSA-N 1 2 369.425 3.081 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000087085836 494170422 /nfs/dbraw/zinc/17/04/22/494170422.db2.gz SDLMXYQZMDFQMK-UHFFFAOYSA-N 1 2 364.405 3.089 20 5 FGBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000042196353 494208372 /nfs/dbraw/zinc/20/83/72/494208372.db2.gz XVNWWIQIBNUTOX-UHFFFAOYSA-N 1 2 366.377 3.404 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149539 494241986 /nfs/dbraw/zinc/24/19/86/494241986.db2.gz VEUNHLDZHFZDFO-UHFFFAOYSA-N 1 2 350.378 3.096 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000016564076 494393981 /nfs/dbraw/zinc/39/39/81/494393981.db2.gz RCUPYLMUBHZXIL-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000016564076 494393986 /nfs/dbraw/zinc/39/39/86/494393986.db2.gz RCUPYLMUBHZXIL-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[nH+]1 ZINC000046387082 494523865 /nfs/dbraw/zinc/52/38/65/494523865.db2.gz BCSNCABSEVIYAI-UHFFFAOYSA-N 1 2 356.407 3.201 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000091212258 494562790 /nfs/dbraw/zinc/56/27/90/494562790.db2.gz BWQOKGXFOQXAAU-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000125955922 494587798 /nfs/dbraw/zinc/58/77/98/494587798.db2.gz TVDSNAUXTJXCOY-INIZCTEOSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000125955922 494587805 /nfs/dbraw/zinc/58/78/05/494587805.db2.gz TVDSNAUXTJXCOY-INIZCTEOSA-N 1 2 361.423 3.058 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000574250211 505730024 /nfs/dbraw/zinc/73/00/24/505730024.db2.gz TZKHJTODNBFULF-LLVKDONJSA-N 1 2 366.311 3.286 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000574250211 505730025 /nfs/dbraw/zinc/73/00/25/505730025.db2.gz TZKHJTODNBFULF-LLVKDONJSA-N 1 2 366.311 3.286 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cs1 ZINC000024061147 494602760 /nfs/dbraw/zinc/60/27/60/494602760.db2.gz PKILBJFDZCZYFI-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000024165874 494610239 /nfs/dbraw/zinc/61/02/39/494610239.db2.gz QDTLCVKJACMHMI-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO COc1ccc(NC(=O)CCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000121194210 494639709 /nfs/dbraw/zinc/63/97/09/494639709.db2.gz QGXWCCPMEQMKQA-UHFFFAOYSA-N 1 2 354.366 3.290 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091702209 494650488 /nfs/dbraw/zinc/65/04/88/494650488.db2.gz XTZVSHRDLNYAKZ-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091702209 494650494 /nfs/dbraw/zinc/65/04/94/494650494.db2.gz XTZVSHRDLNYAKZ-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092510919 494651727 /nfs/dbraw/zinc/65/17/27/494651727.db2.gz FDSXNQXFKTXQNV-CQSZACIVSA-N 1 2 371.384 3.029 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092510919 494651734 /nfs/dbraw/zinc/65/17/34/494651734.db2.gz FDSXNQXFKTXQNV-CQSZACIVSA-N 1 2 371.384 3.029 20 5 FGBDLO CC(C)(C)c1csc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121316027 494696779 /nfs/dbraw/zinc/69/67/79/494696779.db2.gz AAODBUMQLVBQFV-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1csc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121316027 494696782 /nfs/dbraw/zinc/69/67/82/494696782.db2.gz AAODBUMQLVBQFV-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131687240 494699588 /nfs/dbraw/zinc/69/95/88/494699588.db2.gz UXXQAPUWDRSPJB-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131687240 494699599 /nfs/dbraw/zinc/69/95/99/494699599.db2.gz UXXQAPUWDRSPJB-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347454 494820251 /nfs/dbraw/zinc/82/02/51/494820251.db2.gz IVWWDJZGUVCURH-HNNXBMFYSA-N 1 2 355.438 3.466 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347454 494820253 /nfs/dbraw/zinc/82/02/53/494820253.db2.gz IVWWDJZGUVCURH-HNNXBMFYSA-N 1 2 355.438 3.466 20 5 FGBDLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000026349904 494821954 /nfs/dbraw/zinc/82/19/54/494821954.db2.gz DHVFZHLPGOQIKK-HXUWFJFHSA-N 1 2 353.422 3.294 20 5 FGBDLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000026349904 494821957 /nfs/dbraw/zinc/82/19/57/494821957.db2.gz DHVFZHLPGOQIKK-HXUWFJFHSA-N 1 2 353.422 3.294 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132482718 494881647 /nfs/dbraw/zinc/88/16/47/494881647.db2.gz BUMLMYAXGBGRPG-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132482718 494881653 /nfs/dbraw/zinc/88/16/53/494881653.db2.gz BUMLMYAXGBGRPG-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000093534817 494898606 /nfs/dbraw/zinc/89/86/06/494898606.db2.gz GOHNHXFYTSOJMD-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000093534817 494898608 /nfs/dbraw/zinc/89/86/08/494898608.db2.gz GOHNHXFYTSOJMD-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563167 505752836 /nfs/dbraw/zinc/75/28/36/505752836.db2.gz DMOQKMCAIXDNJC-RRQGHBQHSA-N 1 2 361.442 3.120 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563167 505752838 /nfs/dbraw/zinc/75/28/38/505752838.db2.gz DMOQKMCAIXDNJC-RRQGHBQHSA-N 1 2 361.442 3.120 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000127744996 494991235 /nfs/dbraw/zinc/99/12/35/494991235.db2.gz JKROVXSJFTXOQE-UHFFFAOYSA-N 1 2 368.397 3.244 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123149169 495088066 /nfs/dbraw/zinc/08/80/66/495088066.db2.gz PZXPZPVWFWDZRH-DOMZBBRYSA-N 1 2 360.439 3.237 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000112744642 495234857 /nfs/dbraw/zinc/23/48/57/495234857.db2.gz SECFHGGTRSYLHR-CYBMUJFWSA-N 1 2 371.441 3.281 20 5 FGBDLO Cc1c(CC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000129486488 495252163 /nfs/dbraw/zinc/25/21/63/495252163.db2.gz UXQUDSOWCXVJKN-HNNXBMFYSA-N 1 2 373.478 3.413 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119876710 495260208 /nfs/dbraw/zinc/26/02/08/495260208.db2.gz XVGKITNWIDWMLV-HNNXBMFYSA-N 1 2 371.441 3.432 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC000130141418 495347856 /nfs/dbraw/zinc/34/78/56/495347856.db2.gz GFTUENDCTGXIFM-UHFFFAOYSA-N 1 2 367.409 3.247 20 5 FGBDLO CC1=CCCN(c2ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]3CCC=C(C)C3)c2)C1 ZINC000580516010 505776162 /nfs/dbraw/zinc/77/61/62/505776162.db2.gz BYNAFKHLIXDJAE-UHFFFAOYSA-N 1 2 370.453 3.342 20 5 FGBDLO CC1=CCCN(c2ccc([N+](=O)[O-])c(NC(=O)C[N@H+]3CCC=C(C)C3)c2)C1 ZINC000580516010 505776166 /nfs/dbraw/zinc/77/61/66/505776166.db2.gz BYNAFKHLIXDJAE-UHFFFAOYSA-N 1 2 370.453 3.342 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000136459176 495381095 /nfs/dbraw/zinc/38/10/95/495381095.db2.gz UFRAGMJALCDVCU-UHFFFAOYSA-N 1 2 362.817 3.419 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140318261 495493684 /nfs/dbraw/zinc/49/36/84/495493684.db2.gz ZJDNKNBKHNYCKI-QGZVFWFLSA-N 1 2 370.409 3.082 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140318261 495493685 /nfs/dbraw/zinc/49/36/85/495493685.db2.gz ZJDNKNBKHNYCKI-QGZVFWFLSA-N 1 2 370.409 3.082 20 5 FGBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000115411579 495500518 /nfs/dbraw/zinc/50/05/18/495500518.db2.gz PORWWMOXKWXZBS-OAHLLOKOSA-N 1 2 367.327 3.045 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000115560782 495517517 /nfs/dbraw/zinc/51/75/17/495517517.db2.gz ZMVWEYMLEYYUGY-GOSISDBHSA-N 1 2 371.462 3.348 20 5 FGBDLO CN(C(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000115560782 495517520 /nfs/dbraw/zinc/51/75/20/495517520.db2.gz ZMVWEYMLEYYUGY-GOSISDBHSA-N 1 2 371.462 3.348 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179265 495523318 /nfs/dbraw/zinc/52/33/18/495523318.db2.gz LXDHFLDUWDRUKF-UHFFFAOYSA-N 1 2 369.425 3.004 20 5 FGBDLO C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000580613020 505797145 /nfs/dbraw/zinc/79/71/45/505797145.db2.gz UZWBZWZPJVQQFS-OAHLLOKOSA-N 1 2 364.405 3.260 20 5 FGBDLO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000174015155 495788154 /nfs/dbraw/zinc/78/81/54/495788154.db2.gz DXLHBTMQLMTNFH-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000174015155 495788162 /nfs/dbraw/zinc/78/81/62/495788162.db2.gz DXLHBTMQLMTNFH-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179965628 495803001 /nfs/dbraw/zinc/80/30/01/495803001.db2.gz SFJRPKDXTUDRKL-NSHDSACASA-N 1 2 372.368 3.360 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179965628 495803005 /nfs/dbraw/zinc/80/30/05/495803005.db2.gz SFJRPKDXTUDRKL-NSHDSACASA-N 1 2 372.368 3.360 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000174071703 495810687 /nfs/dbraw/zinc/81/06/87/495810687.db2.gz JSDRHWHLVJQRFM-UHFFFAOYSA-N 1 2 354.410 3.082 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3cccnc3)C3CC3)o2)cc1 ZINC000180272915 495932323 /nfs/dbraw/zinc/93/23/23/495932323.db2.gz DNVPAAQZTLVSPE-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3cccnc3)C3CC3)o2)cc1 ZINC000180272915 495932330 /nfs/dbraw/zinc/93/23/30/495932330.db2.gz DNVPAAQZTLVSPE-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c1 ZINC000155445471 495958717 /nfs/dbraw/zinc/95/87/17/495958717.db2.gz DKKFLOOCBFVLBY-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000186422067 495992607 /nfs/dbraw/zinc/99/26/07/495992607.db2.gz QQDGFKYUVASZSZ-CYBMUJFWSA-N 1 2 353.382 3.143 20 5 FGBDLO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000183544501 496025571 /nfs/dbraw/zinc/02/55/71/496025571.db2.gz RFVCPWBUKGLWAW-UHFFFAOYSA-N 1 2 370.409 3.059 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161213538 496128417 /nfs/dbraw/zinc/12/84/17/496128417.db2.gz TWBVGPUHZQHWLK-CYBMUJFWSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000156074127 496149747 /nfs/dbraw/zinc/14/97/47/496149747.db2.gz UITRSYAJQKPLLH-CQSZACIVSA-N 1 2 357.414 3.123 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000174902125 496156573 /nfs/dbraw/zinc/15/65/73/496156573.db2.gz PFJRLERDJFPDBZ-UHFFFAOYSA-N 1 2 368.437 3.369 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172413866 496288547 /nfs/dbraw/zinc/28/85/47/496288547.db2.gz AQWHVFWOQGOFEW-UHFFFAOYSA-N 1 2 366.421 3.392 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184276610 496316245 /nfs/dbraw/zinc/31/62/45/496316245.db2.gz AUIXURUEHDBLIG-QWRGUYRKSA-N 1 2 364.427 3.046 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000184425691 496377928 /nfs/dbraw/zinc/37/79/28/496377928.db2.gz LNQIWJTYTIWLQW-UHFFFAOYSA-N 1 2 368.437 3.339 20 5 FGBDLO Cn1c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1C1CCC1 ZINC000181402590 496380412 /nfs/dbraw/zinc/38/04/12/496380412.db2.gz NSTLLCFCQDNLMW-UHFFFAOYSA-N 1 2 371.441 3.034 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000162614692 496383808 /nfs/dbraw/zinc/38/38/08/496383808.db2.gz ILEXCUZUSLFUJT-UHFFFAOYSA-N 1 2 357.414 3.466 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153287765 496409128 /nfs/dbraw/zinc/40/91/28/496409128.db2.gz YFLDOIIOVSCRRD-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153287765 496409133 /nfs/dbraw/zinc/40/91/33/496409133.db2.gz YFLDOIIOVSCRRD-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)ccc1F ZINC000153304198 496414685 /nfs/dbraw/zinc/41/46/85/496414685.db2.gz IGZXXRXPXRUJKQ-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)ccc1F ZINC000153304198 496414689 /nfs/dbraw/zinc/41/46/89/496414689.db2.gz IGZXXRXPXRUJKQ-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CCSCC[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175599406 496458389 /nfs/dbraw/zinc/45/83/89/496458389.db2.gz XNWNNBXXJWKKBK-ZDUSSCGKSA-N 1 2 362.455 3.384 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184809323 496540993 /nfs/dbraw/zinc/54/09/93/496540993.db2.gz YZPDLNUXAWQHDL-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184809323 496540999 /nfs/dbraw/zinc/54/09/99/496540999.db2.gz YZPDLNUXAWQHDL-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178692541 496543001 /nfs/dbraw/zinc/54/30/01/496543001.db2.gz KOSGULMYEJHBQB-ZIAGYGMSSA-N 1 2 352.398 3.291 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000173117137 496555976 /nfs/dbraw/zinc/55/59/76/496555976.db2.gz YGLZKIBRQGBINY-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccn2cc[nH+]c2c1 ZINC000578058099 505851340 /nfs/dbraw/zinc/85/13/40/505851340.db2.gz LKTMLFLQIRNPFI-UHFFFAOYSA-N 1 2 358.329 3.170 20 5 FGBDLO CC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000157828381 496564877 /nfs/dbraw/zinc/56/48/77/496564877.db2.gz PEEGVVHHAOPPRT-UHFFFAOYSA-N 1 2 363.801 3.172 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000173246441 496610045 /nfs/dbraw/zinc/61/00/45/496610045.db2.gz VIDKLJYCLITAFO-KRWDZBQOSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000173246441 496610049 /nfs/dbraw/zinc/61/00/49/496610049.db2.gz VIDKLJYCLITAFO-KRWDZBQOSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc([N+](=O)[O-])cc3F)c2cc1C ZINC000153907655 496620409 /nfs/dbraw/zinc/62/04/09/496620409.db2.gz YSLFJZKPDWBSCG-AWEZNQCLSA-N 1 2 359.357 3.140 20 5 FGBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182200363 496705416 /nfs/dbraw/zinc/70/54/16/496705416.db2.gz VBBFOBQBYOBPOQ-UHFFFAOYSA-N 1 2 362.451 3.279 20 5 FGBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182200363 496705419 /nfs/dbraw/zinc/70/54/19/496705419.db2.gz VBBFOBQBYOBPOQ-UHFFFAOYSA-N 1 2 362.451 3.279 20 5 FGBDLO Cc1[nH]nc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000264103737 496813355 /nfs/dbraw/zinc/81/33/55/496813355.db2.gz AVFQVLKCDRETQZ-UHFFFAOYSA-N 1 2 366.381 3.078 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000277580593 496818836 /nfs/dbraw/zinc/81/88/36/496818836.db2.gz YVCZRTXNWVXLKQ-UHFFFAOYSA-N 1 2 373.457 3.018 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774774 496882068 /nfs/dbraw/zinc/88/20/68/496882068.db2.gz NJDXPCZHDQQJGS-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774774 496882075 /nfs/dbraw/zinc/88/20/75/496882075.db2.gz NJDXPCZHDQQJGS-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278002684 496967449 /nfs/dbraw/zinc/96/74/49/496967449.db2.gz IPDNEUPJYUSLIH-BXUZGUMPSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278002684 496967452 /nfs/dbraw/zinc/96/74/52/496967452.db2.gz IPDNEUPJYUSLIH-BXUZGUMPSA-N 1 2 364.789 3.224 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269572414 496971741 /nfs/dbraw/zinc/97/17/41/496971741.db2.gz HIOPGTVNAGYLGQ-JTQLQIEISA-N 1 2 368.315 3.357 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000249459533 497206960 /nfs/dbraw/zinc/20/69/60/497206960.db2.gz YWZNFAVRUUZYEX-OCCSQVGLSA-N 1 2 368.846 3.189 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000249459533 497206966 /nfs/dbraw/zinc/20/69/66/497206966.db2.gz YWZNFAVRUUZYEX-OCCSQVGLSA-N 1 2 368.846 3.189 20 5 FGBDLO CC(=O)N1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCCCC2 ZINC000270900403 497223447 /nfs/dbraw/zinc/22/34/47/497223447.db2.gz QYRIJWRQRQBJSY-UHFFFAOYSA-N 1 2 372.425 3.103 20 5 FGBDLO CC(=O)N1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCCCC2 ZINC000270900403 497223453 /nfs/dbraw/zinc/22/34/53/497223453.db2.gz QYRIJWRQRQBJSY-UHFFFAOYSA-N 1 2 372.425 3.103 20 5 FGBDLO COCCCOCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000272369704 497610555 /nfs/dbraw/zinc/61/05/55/497610555.db2.gz PAVPMSXGOMARJT-UHFFFAOYSA-N 1 2 365.455 3.203 20 5 FGBDLO COCCCOCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000272369704 497610561 /nfs/dbraw/zinc/61/05/61/497610561.db2.gz PAVPMSXGOMARJT-UHFFFAOYSA-N 1 2 365.455 3.203 20 5 FGBDLO CN(C)c1ccccc1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272484890 497641548 /nfs/dbraw/zinc/64/15/48/497641548.db2.gz CQYIJFCCKHOBDK-IBGZPJMESA-N 1 2 365.437 3.274 20 5 FGBDLO CN(C)c1ccccc1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272484893 497641573 /nfs/dbraw/zinc/64/15/73/497641573.db2.gz CQYIJFCCKHOBDK-LJQANCHMSA-N 1 2 365.437 3.274 20 5 FGBDLO C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268469036 497759297 /nfs/dbraw/zinc/75/92/97/497759297.db2.gz HETSEHOHPWYJRN-ZWNOBZJWSA-N 1 2 366.219 3.036 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000295857648 497832414 /nfs/dbraw/zinc/83/24/14/497832414.db2.gz KKYXFJGYDIRQJV-OAHLLOKOSA-N 1 2 353.382 3.033 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295998304 497885220 /nfs/dbraw/zinc/88/52/20/497885220.db2.gz PQDZAGVFXJLDDE-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295998304 497885223 /nfs/dbraw/zinc/88/52/23/497885223.db2.gz PQDZAGVFXJLDDE-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1[nH+]ccn1CCc1ccccc1 ZINC000288928915 497948091 /nfs/dbraw/zinc/94/80/91/497948091.db2.gz QIXMGMSOQVBFFN-UHFFFAOYSA-N 1 2 354.414 3.171 20 5 FGBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000364500455 497988418 /nfs/dbraw/zinc/98/84/18/497988418.db2.gz CZUCVAMQMXSEDW-GFCCVEGCSA-N 1 2 356.407 3.059 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364474 498063625 /nfs/dbraw/zinc/06/36/25/498063625.db2.gz QTSWGUWVONNNTN-ISVAXAHUSA-N 1 2 354.275 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364474 498063631 /nfs/dbraw/zinc/06/36/31/498063631.db2.gz QTSWGUWVONNNTN-ISVAXAHUSA-N 1 2 354.275 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364483 498063735 /nfs/dbraw/zinc/06/37/35/498063735.db2.gz QTSWGUWVONNNTN-SDBXPKJASA-N 1 2 354.275 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364483 498063745 /nfs/dbraw/zinc/06/37/45/498063745.db2.gz QTSWGUWVONNNTN-SDBXPKJASA-N 1 2 354.275 3.008 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000581374431 505973541 /nfs/dbraw/zinc/97/35/41/505973541.db2.gz MNPSMXULWUSEPH-NHYWBVRUSA-N 1 2 360.439 3.076 20 5 FGBDLO COc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301349284 498068711 /nfs/dbraw/zinc/06/87/11/498068711.db2.gz JEQKPGZORKTVIM-KRWDZBQOSA-N 1 2 357.410 3.089 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000301411756 498098467 /nfs/dbraw/zinc/09/84/67/498098467.db2.gz BJUYIRLNQPCQJH-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO COc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330688793 498175114 /nfs/dbraw/zinc/17/51/14/498175114.db2.gz ONWOEZZJCPLHBP-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO COc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330688793 498175123 /nfs/dbraw/zinc/17/51/23/498175123.db2.gz ONWOEZZJCPLHBP-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289529225 498181225 /nfs/dbraw/zinc/18/12/25/498181225.db2.gz BRPCHVBKLCYOSN-NSHDSACASA-N 1 2 360.241 3.250 20 5 FGBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289529225 498181232 /nfs/dbraw/zinc/18/12/32/498181232.db2.gz BRPCHVBKLCYOSN-NSHDSACASA-N 1 2 360.241 3.250 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000581459812 505992801 /nfs/dbraw/zinc/99/28/01/505992801.db2.gz MFJONGZRZZXAOI-UHFFFAOYSA-N 1 2 362.455 3.397 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC000301615548 498188916 /nfs/dbraw/zinc/18/89/16/498188916.db2.gz BKOYVZPSFYKUBY-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296805442 498204337 /nfs/dbraw/zinc/20/43/37/498204337.db2.gz UMWILFFWJFKWHT-AWEZNQCLSA-N 1 2 352.398 3.038 20 5 FGBDLO CCc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301680690 498221381 /nfs/dbraw/zinc/22/13/81/498221381.db2.gz UYDNGVQGCQWFPZ-HOTGVXAUSA-N 1 2 369.425 3.070 20 5 FGBDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000281839548 498287807 /nfs/dbraw/zinc/28/78/07/498287807.db2.gz ALKLIEPCLVCZDW-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858174 498296669 /nfs/dbraw/zinc/29/66/69/498296669.db2.gz CSXZXKOSMBTMLB-WBVHZDCISA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858174 498296676 /nfs/dbraw/zinc/29/66/76/498296676.db2.gz CSXZXKOSMBTMLB-WBVHZDCISA-N 1 2 362.817 3.127 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1[C@@H]1CCCO1 ZINC000289839576 498317694 /nfs/dbraw/zinc/31/76/94/498317694.db2.gz PUGWZJSQRVVRRC-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1[C@@H]1CCCO1 ZINC000289839576 498317700 /nfs/dbraw/zinc/31/77/00/498317700.db2.gz PUGWZJSQRVVRRC-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293429470 498381581 /nfs/dbraw/zinc/38/15/81/498381581.db2.gz NTCYLIHDJOJYTF-NSHDSACASA-N 1 2 357.370 3.388 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293429470 498381589 /nfs/dbraw/zinc/38/15/89/498381589.db2.gz NTCYLIHDJOJYTF-NSHDSACASA-N 1 2 357.370 3.388 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282188104 498416341 /nfs/dbraw/zinc/41/63/41/498416341.db2.gz DWPYVIVFSPJLNR-AWEZNQCLSA-N 1 2 354.410 3.147 20 5 FGBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)[nH+]1 ZINC000286685673 498475792 /nfs/dbraw/zinc/47/57/92/498475792.db2.gz XDHCHUWGVXPQNR-UHFFFAOYSA-N 1 2 356.382 3.300 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282414125 498501520 /nfs/dbraw/zinc/50/15/20/498501520.db2.gz STJIWAYXKDWOOG-GFCCVEGCSA-N 1 2 360.439 3.209 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000297617833 498514459 /nfs/dbraw/zinc/51/44/59/498514459.db2.gz AXXRAIARGDIYCF-AWEZNQCLSA-N 1 2 360.439 3.274 20 5 FGBDLO Cc1sc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1[N+](=O)[O-] ZINC000332209742 498602135 /nfs/dbraw/zinc/60/21/35/498602135.db2.gz GBHGIVKBJWBTHI-LLVKDONJSA-N 1 2 362.455 3.204 20 5 FGBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000303137432 498649169 /nfs/dbraw/zinc/64/91/69/498649169.db2.gz PMGRUWJDEZISFI-UHFFFAOYSA-N 1 2 372.768 3.451 20 5 FGBDLO CC(=O)c1ccc(N(C)C2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000363099645 498649371 /nfs/dbraw/zinc/64/93/71/498649371.db2.gz KYWIPJHIFCHPPU-UHFFFAOYSA-N 1 2 354.410 3.298 20 5 FGBDLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1[N+](=O)[O-] ZINC000332695305 498767042 /nfs/dbraw/zinc/76/70/42/498767042.db2.gz WZIKPOCYUXIGHA-CQSZACIVSA-N 1 2 356.426 3.142 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332702823 498769454 /nfs/dbraw/zinc/76/94/54/498769454.db2.gz YNRIHAIAJJCFNS-CYBMUJFWSA-N 1 2 356.426 3.142 20 5 FGBDLO C[N@H+](CCn1cc(Br)cn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000581908140 506087140 /nfs/dbraw/zinc/08/71/40/506087140.db2.gz VTPAZJWQYHNQNN-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000581908140 506087145 /nfs/dbraw/zinc/08/71/45/506087145.db2.gz VTPAZJWQYHNQNN-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO CCn1cc[nH+]c1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000294936534 498854342 /nfs/dbraw/zinc/85/43/42/498854342.db2.gz HUCPVVQPCBETOC-UHFFFAOYSA-N 1 2 359.264 3.350 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000579183001 506111376 /nfs/dbraw/zinc/11/13/76/506111376.db2.gz RYDOIMADPFJAMR-UHFFFAOYSA-N 1 2 370.384 3.284 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363806545 499002723 /nfs/dbraw/zinc/00/27/23/499002723.db2.gz WYKTZUCYKXHCQO-HNNXBMFYSA-N 1 2 356.426 3.293 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363806545 499002730 /nfs/dbraw/zinc/00/27/30/499002730.db2.gz WYKTZUCYKXHCQO-HNNXBMFYSA-N 1 2 356.426 3.293 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693690 499038223 /nfs/dbraw/zinc/03/82/23/499038223.db2.gz YHVWMXSTQUKAPX-RHSMWYFYSA-N 1 2 350.415 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693690 499038229 /nfs/dbraw/zinc/03/82/29/499038229.db2.gz YHVWMXSTQUKAPX-RHSMWYFYSA-N 1 2 350.415 3.001 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(n2cc[nH+]c2)CC1 ZINC000295564604 499052368 /nfs/dbraw/zinc/05/23/68/499052368.db2.gz QQFODYPPYVCWCW-UHFFFAOYSA-N 1 2 353.382 3.190 20 5 FGBDLO Cc1c[nH+]cc(CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 ZINC000291903004 499097559 /nfs/dbraw/zinc/09/75/59/499097559.db2.gz LTFDZYUCKDURER-UHFFFAOYSA-N 1 2 353.382 3.121 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083747 499146164 /nfs/dbraw/zinc/14/61/64/499146164.db2.gz IOEYHXRXKDMSLD-QGZVFWFLSA-N 1 2 368.437 3.074 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000370161078 499190106 /nfs/dbraw/zinc/19/01/06/499190106.db2.gz JBWDAMWJWXJORJ-JQWIXIFHSA-N 1 2 369.347 3.162 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccoc1 ZINC000371720987 499358915 /nfs/dbraw/zinc/35/89/15/499358915.db2.gz FSFVBACBMYDNGR-UHFFFAOYSA-N 1 2 363.801 3.236 20 5 FGBDLO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000372192596 499407506 /nfs/dbraw/zinc/40/75/06/499407506.db2.gz OSCRDAGSFXOKLL-UHFFFAOYSA-N 1 2 373.375 3.448 20 5 FGBDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000372192596 499407507 /nfs/dbraw/zinc/40/75/07/499407507.db2.gz OSCRDAGSFXOKLL-UHFFFAOYSA-N 1 2 373.375 3.448 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000373468705 499471743 /nfs/dbraw/zinc/47/17/43/499471743.db2.gz KSTSECMAHNGSBV-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373707013 499484348 /nfs/dbraw/zinc/48/43/48/499484348.db2.gz ILQKEPMDWIJNAO-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383079544 499546565 /nfs/dbraw/zinc/54/65/65/499546565.db2.gz BAQXCPBLSMMACG-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000383079544 499546566 /nfs/dbraw/zinc/54/65/66/499546566.db2.gz BAQXCPBLSMMACG-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000375717056 499548366 /nfs/dbraw/zinc/54/83/66/499548366.db2.gz FDHNNOTZNPAEBP-UHFFFAOYSA-N 1 2 354.322 3.448 20 5 FGBDLO CN(C[C@H](O)COCc1ccccc1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413130663 499917644 /nfs/dbraw/zinc/91/76/44/499917644.db2.gz DFHBUVHXFXKAGO-SFHVURJKSA-N 1 2 367.405 3.157 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC000413282607 499936708 /nfs/dbraw/zinc/93/67/08/499936708.db2.gz PWGSDGWOMQCCLI-HNNXBMFYSA-N 1 2 355.316 3.427 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H](c4ccccc4)[C@](F)(CO)C3)c2c1 ZINC000413317450 499940605 /nfs/dbraw/zinc/94/06/05/499940605.db2.gz QVUFHGFZROLSGF-UYAOXDASSA-N 1 2 367.380 3.447 20 5 FGBDLO Cn1nccc1[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413320739 499940946 /nfs/dbraw/zinc/94/09/46/499940946.db2.gz QGQPBPAEUTZZQA-DYVFJYSZSA-N 1 2 353.382 3.209 20 5 FGBDLO CC(C)Oc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000413783130 500055747 /nfs/dbraw/zinc/05/57/47/500055747.db2.gz MLISMTVAHFEFPV-UHFFFAOYSA-N 1 2 372.425 3.187 20 5 FGBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425363615 500085856 /nfs/dbraw/zinc/08/58/56/500085856.db2.gz CFKJTVDEENXMDQ-RVPHRTOXSA-N 1 2 365.433 3.171 20 5 FGBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425363615 500085859 /nfs/dbraw/zinc/08/58/59/500085859.db2.gz CFKJTVDEENXMDQ-RVPHRTOXSA-N 1 2 365.433 3.171 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000426427180 500271946 /nfs/dbraw/zinc/27/19/46/500271946.db2.gz MHQILNWEGYTIDG-HNNXBMFYSA-N 1 2 360.414 3.085 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000426427180 500271948 /nfs/dbraw/zinc/27/19/48/500271948.db2.gz MHQILNWEGYTIDG-HNNXBMFYSA-N 1 2 360.414 3.085 20 5 FGBDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419394457 500361055 /nfs/dbraw/zinc/36/10/55/500361055.db2.gz SGRVCJRKOOIQLV-OAHLLOKOSA-N 1 2 367.409 3.218 20 5 FGBDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419394457 500361058 /nfs/dbraw/zinc/36/10/58/500361058.db2.gz SGRVCJRKOOIQLV-OAHLLOKOSA-N 1 2 367.409 3.218 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427901624 500443818 /nfs/dbraw/zinc/44/38/18/500443818.db2.gz FGNCUDGAIJLSNK-UHFFFAOYSA-N 1 2 370.409 3.006 20 5 FGBDLO Cn1cc(Cl)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000420914377 500529722 /nfs/dbraw/zinc/52/97/22/500529722.db2.gz JVMNQBRMIJJSCD-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO CC(C)CC[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801403 500664227 /nfs/dbraw/zinc/66/42/27/500664227.db2.gz BZSVIXXAQOBKMD-LJQANCHMSA-N 1 2 365.474 3.026 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](c2ccccc2)C1 ZINC000447803969 500666227 /nfs/dbraw/zinc/66/62/27/500666227.db2.gz CQJCXUMLCVCUTK-IBGZPJMESA-N 1 2 367.449 3.421 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(F)cc1F ZINC000447807456 500667056 /nfs/dbraw/zinc/66/70/56/500667056.db2.gz RQIUYRGCEDLUGS-UHFFFAOYSA-N 1 2 363.364 3.317 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCCS1 ZINC000447808262 500667119 /nfs/dbraw/zinc/66/71/19/500667119.db2.gz UQEYWNHEGMPKJK-OAHLLOKOSA-N 1 2 351.472 3.125 20 5 FGBDLO CCc1nc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cs1 ZINC000447817375 500668981 /nfs/dbraw/zinc/66/89/81/500668981.db2.gz NWHBPMHLESLWCZ-UHFFFAOYSA-N 1 2 362.455 3.058 20 5 FGBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1nccs1 ZINC000447818546 500669766 /nfs/dbraw/zinc/66/97/66/500669766.db2.gz XGDUDQXXCKZFTD-CYBMUJFWSA-N 1 2 362.455 3.099 20 5 FGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000433995047 500778776 /nfs/dbraw/zinc/77/87/76/500778776.db2.gz RTFUSEKOLRIJAT-UHFFFAOYSA-N 1 2 358.333 3.018 20 5 FGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000434618906 500867107 /nfs/dbraw/zinc/86/71/07/500867107.db2.gz YSEMTFWFBJCSMQ-WMZOPIPTSA-N 1 2 370.405 3.352 20 5 FGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000434618906 500867110 /nfs/dbraw/zinc/86/71/10/500867110.db2.gz YSEMTFWFBJCSMQ-WMZOPIPTSA-N 1 2 370.405 3.352 20 5 FGBDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444657296 500874440 /nfs/dbraw/zinc/87/44/40/500874440.db2.gz KEVGNAIATBGJSX-ZDUSSCGKSA-N 1 2 369.429 3.023 20 5 FGBDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444657296 500874444 /nfs/dbraw/zinc/87/44/44/500874444.db2.gz KEVGNAIATBGJSX-ZDUSSCGKSA-N 1 2 369.429 3.023 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444732661 500890179 /nfs/dbraw/zinc/89/01/79/500890179.db2.gz LUAUSARLTAZQAR-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444732661 500890180 /nfs/dbraw/zinc/89/01/80/500890180.db2.gz LUAUSARLTAZQAR-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000439385608 500891540 /nfs/dbraw/zinc/89/15/40/500891540.db2.gz VRNOERARJPUCBA-UHFFFAOYSA-N 1 2 369.425 3.269 20 5 FGBDLO CCc1cc(N[C@H](CC)C[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439714550 500930476 /nfs/dbraw/zinc/93/04/76/500930476.db2.gz LWXQMWRDTBNVPZ-UKRRQHHQSA-N 1 2 358.442 3.245 20 5 FGBDLO Cc1cc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000435404841 500968856 /nfs/dbraw/zinc/96/88/56/500968856.db2.gz HCIZEXLLTJIUCR-UHFFFAOYSA-N 1 2 352.350 3.106 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431601 501001435 /nfs/dbraw/zinc/00/14/35/501001435.db2.gz YNOHGGYZQSZGKL-UYAOXDASSA-N 1 2 374.412 3.294 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449431601 501001436 /nfs/dbraw/zinc/00/14/36/501001436.db2.gz YNOHGGYZQSZGKL-UYAOXDASSA-N 1 2 374.412 3.294 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449605654 501042969 /nfs/dbraw/zinc/04/29/69/501042969.db2.gz WUJYUXBLKGAWMU-HNNXBMFYSA-N 1 2 369.412 3.454 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449605654 501042972 /nfs/dbraw/zinc/04/29/72/501042972.db2.gz WUJYUXBLKGAWMU-HNNXBMFYSA-N 1 2 369.412 3.454 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)c2ccsc2)cc1Br ZINC000602620612 506235462 /nfs/dbraw/zinc/23/54/62/506235462.db2.gz YGGOFURXYHYLSG-JTQLQIEISA-N 1 2 363.258 3.304 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446713407 501155793 /nfs/dbraw/zinc/15/57/93/501155793.db2.gz XQUDXZRVHXOZLI-UHFFFAOYSA-N 1 2 367.449 3.174 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446713407 501155795 /nfs/dbraw/zinc/15/57/95/501155795.db2.gz XQUDXZRVHXOZLI-UHFFFAOYSA-N 1 2 367.449 3.174 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446734990 501158275 /nfs/dbraw/zinc/15/82/75/501158275.db2.gz IDQBKULJFZUKAF-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446734990 501158276 /nfs/dbraw/zinc/15/82/76/501158276.db2.gz IDQBKULJFZUKAF-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@H]1CCc2nc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2C1 ZINC000446847365 501173177 /nfs/dbraw/zinc/17/31/77/501173177.db2.gz LVEWHBHIVOCMCT-JTQLQIEISA-N 1 2 357.439 3.342 20 5 FGBDLO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436675380 501185034 /nfs/dbraw/zinc/18/50/34/501185034.db2.gz VGEHAVROXMNVIJ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436675380 501185037 /nfs/dbraw/zinc/18/50/37/501185037.db2.gz VGEHAVROXMNVIJ-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO COc1nsc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1Br ZINC000602636301 506240766 /nfs/dbraw/zinc/24/07/66/506240766.db2.gz WDUCTLZFEQNVMI-UHFFFAOYSA-N 1 2 372.244 3.421 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451259036 501255764 /nfs/dbraw/zinc/25/57/64/501255764.db2.gz HKVLUTIEJLIXJI-HNAYVOBHSA-N 1 2 371.368 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451259036 501255765 /nfs/dbraw/zinc/25/57/65/501255765.db2.gz HKVLUTIEJLIXJI-HNAYVOBHSA-N 1 2 371.368 3.036 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1C(F)F ZINC000451473561 501301016 /nfs/dbraw/zinc/30/10/16/501301016.db2.gz ONQDCWUEHKJAQL-ZDUSSCGKSA-N 1 2 350.325 3.040 20 5 FGBDLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550081 501321186 /nfs/dbraw/zinc/32/11/86/501321186.db2.gz QUYXDALXWVXZHI-AEFFLSMTSA-N 1 2 355.394 3.084 20 5 FGBDLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550081 501321187 /nfs/dbraw/zinc/32/11/87/501321187.db2.gz QUYXDALXWVXZHI-AEFFLSMTSA-N 1 2 355.394 3.084 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000596086819 506250640 /nfs/dbraw/zinc/25/06/40/506250640.db2.gz BTEGRLNRHYMHLP-INIZCTEOSA-N 1 2 373.425 3.152 20 5 FGBDLO Cc1noc(C)c1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451958552 501408391 /nfs/dbraw/zinc/40/83/91/501408391.db2.gz WMTPDRNHGKZGMD-UHFFFAOYSA-N 1 2 369.381 3.050 20 5 FGBDLO COc1ccncc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602671067 506256157 /nfs/dbraw/zinc/25/61/57/506256157.db2.gz UDCWPVBYZYDGMM-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456429674 501524070 /nfs/dbraw/zinc/52/40/70/501524070.db2.gz RWPGXQNEJARIGR-BQBZGAKWSA-N 1 2 371.216 3.051 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454547586 501574708 /nfs/dbraw/zinc/57/47/08/501574708.db2.gz IHCVPANHXGTPLI-CZUORRHYSA-N 1 2 357.414 3.119 20 5 FGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000602690261 506261793 /nfs/dbraw/zinc/26/17/93/506261793.db2.gz HSAJRWVJNLOHQC-UHFFFAOYSA-N 1 2 357.336 3.319 20 5 FGBDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000453022552 501602994 /nfs/dbraw/zinc/60/29/94/501602994.db2.gz BTGOBPFLKLOUPR-QGZVFWFLSA-N 1 2 366.483 3.269 20 5 FGBDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC000453022552 501602996 /nfs/dbraw/zinc/60/29/96/501602996.db2.gz BTGOBPFLKLOUPR-QGZVFWFLSA-N 1 2 366.483 3.269 20 5 FGBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000602732177 506277991 /nfs/dbraw/zinc/27/79/91/506277991.db2.gz PIEGLJKBWNWVMS-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478047344 501864802 /nfs/dbraw/zinc/86/48/02/501864802.db2.gz PZNSQUCFJWRRDG-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478047344 501864807 /nfs/dbraw/zinc/86/48/07/501864807.db2.gz PZNSQUCFJWRRDG-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000474581235 501883048 /nfs/dbraw/zinc/88/30/48/501883048.db2.gz WELJGHRTFLPYDT-UHFFFAOYSA-N 1 2 372.331 3.120 20 5 FGBDLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000471026519 501895168 /nfs/dbraw/zinc/89/51/68/501895168.db2.gz YIUYQECJLQCMLY-UHFFFAOYSA-N 1 2 371.462 3.338 20 5 FGBDLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000471026519 501895173 /nfs/dbraw/zinc/89/51/73/501895173.db2.gz YIUYQECJLQCMLY-UHFFFAOYSA-N 1 2 371.462 3.338 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000596154034 506283256 /nfs/dbraw/zinc/28/32/56/506283256.db2.gz JIUSLVDQQQOABI-GFCCVEGCSA-N 1 2 364.789 3.490 20 5 FGBDLO CC(C)c1ccnc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000588479439 506283532 /nfs/dbraw/zinc/28/35/32/506283532.db2.gz YNLALKFIQBRHAO-ALCCZGGFSA-N 1 2 367.453 3.344 20 5 FGBDLO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471370603 502001784 /nfs/dbraw/zinc/00/17/84/502001784.db2.gz WPFOVUQVJSRHQP-IBGZPJMESA-N 1 2 353.422 3.286 20 5 FGBDLO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471370603 502001787 /nfs/dbraw/zinc/00/17/87/502001787.db2.gz WPFOVUQVJSRHQP-IBGZPJMESA-N 1 2 353.422 3.286 20 5 FGBDLO CC(C)C(=O)NC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038398 506289022 /nfs/dbraw/zinc/28/90/22/506289022.db2.gz PXIXMVAUETUGJP-CQSZACIVSA-N 1 2 356.426 3.132 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000478814303 502094617 /nfs/dbraw/zinc/09/46/17/502094617.db2.gz QMGAIXQCOZEOKZ-UHFFFAOYSA-N 1 2 352.350 3.349 20 5 FGBDLO COCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000461468055 502125727 /nfs/dbraw/zinc/12/57/27/502125727.db2.gz XIOJMLOIMQGOLC-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000475513953 502199394 /nfs/dbraw/zinc/19/93/94/502199394.db2.gz WHXJWWBKPNQNAI-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cc[nH]c(=O)c4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000596189529 506299556 /nfs/dbraw/zinc/29/95/56/506299556.db2.gz JMYYFPYYJQQHJW-GFCCVEGCSA-N 1 2 353.382 3.264 20 5 FGBDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000483147135 502290770 /nfs/dbraw/zinc/29/07/70/502290770.db2.gz ZGOLQQHSIMGIAG-UHFFFAOYSA-N 1 2 369.469 3.157 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000483353042 502359962 /nfs/dbraw/zinc/35/99/62/502359962.db2.gz KJCMQUMGIHWDJT-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000483353042 502359967 /nfs/dbraw/zinc/35/99/67/502359967.db2.gz KJCMQUMGIHWDJT-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000483430778 502389664 /nfs/dbraw/zinc/38/96/64/502389664.db2.gz XSZQXQXLDNSTCZ-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000462384932 502415944 /nfs/dbraw/zinc/41/59/44/502415944.db2.gz RTYLKOKGDFSLSN-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487731073 502516504 /nfs/dbraw/zinc/51/65/04/502516504.db2.gz WVSOGLUEUWPHFH-UHFFFAOYSA-N 1 2 365.393 3.226 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000469741322 502528215 /nfs/dbraw/zinc/52/82/15/502528215.db2.gz JUBYCPAVZBRPSP-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000469741322 502528220 /nfs/dbraw/zinc/52/82/20/502528220.db2.gz JUBYCPAVZBRPSP-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000473159643 502532315 /nfs/dbraw/zinc/53/23/15/502532315.db2.gz JGRWOLFODWBVFZ-UHFFFAOYSA-N 1 2 373.359 3.261 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000473159643 502532318 /nfs/dbraw/zinc/53/23/18/502532318.db2.gz JGRWOLFODWBVFZ-UHFFFAOYSA-N 1 2 373.359 3.261 20 5 FGBDLO CNc1c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cccc1[N+](=O)[O-] ZINC000462900146 502618650 /nfs/dbraw/zinc/61/86/50/502618650.db2.gz JMRVSXNKGFADTB-UHFFFAOYSA-N 1 2 367.409 3.115 20 5 FGBDLO Cn1c(CCNc2c3ccccc3ncc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000488087948 502623884 /nfs/dbraw/zinc/62/38/84/502623884.db2.gz KIAWGGUDODSSBZ-UHFFFAOYSA-N 1 2 365.368 3.245 20 5 FGBDLO CCc1cc(NC[C@](C)(O)[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488187308 502651563 /nfs/dbraw/zinc/65/15/63/502651563.db2.gz ZDCPJQGSXMDSAB-YJYMSZOUSA-N 1 2 358.442 3.245 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000470178821 502697810 /nfs/dbraw/zinc/69/78/10/502697810.db2.gz OMBBLDLWNDHRDG-XFFZJAGNSA-N 1 2 367.331 3.124 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000470178821 502697816 /nfs/dbraw/zinc/69/78/16/502697816.db2.gz OMBBLDLWNDHRDG-XFFZJAGNSA-N 1 2 367.331 3.124 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000470204520 502705106 /nfs/dbraw/zinc/70/51/06/502705106.db2.gz VUFBMWLXPXQIDK-ATVHPVEESA-N 1 2 352.438 3.211 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000473881868 502736201 /nfs/dbraw/zinc/73/62/01/502736201.db2.gz VGGUMQODOQUJRD-INIZCTEOSA-N 1 2 355.394 3.407 20 5 FGBDLO CCCc1nc(C)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000488730574 502795068 /nfs/dbraw/zinc/79/50/68/502795068.db2.gz IEJQCVVWQZMMDK-UHFFFAOYSA-N 1 2 374.441 3.288 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2n1C ZINC000513019557 502832164 /nfs/dbraw/zinc/83/21/64/502832164.db2.gz DZMACLPUXMXOBB-UHFFFAOYSA-N 1 2 352.394 3.105 20 5 FGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000588820866 506346183 /nfs/dbraw/zinc/34/61/83/506346183.db2.gz RXLJVKSFPKDTJP-UHFFFAOYSA-N 1 2 357.385 3.259 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505939243 503016741 /nfs/dbraw/zinc/01/67/41/503016741.db2.gz UUHLSBLXUVZQOG-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505939243 503016747 /nfs/dbraw/zinc/01/67/47/503016747.db2.gz UUHLSBLXUVZQOG-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864473 503096723 /nfs/dbraw/zinc/09/67/23/503096723.db2.gz UVCSLAYTHNTZMK-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864473 503096727 /nfs/dbraw/zinc/09/67/27/503096727.db2.gz UVCSLAYTHNTZMK-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000510513687 503129285 /nfs/dbraw/zinc/12/92/85/503129285.db2.gz SPBICXJZCWVFFM-SCLBCKFNSA-N 1 2 357.410 3.030 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000506562791 503136989 /nfs/dbraw/zinc/13/69/89/503136989.db2.gz PPOMIKSNLDFSNO-HYXAFXHYSA-N 1 2 358.829 3.479 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000514574987 503139437 /nfs/dbraw/zinc/13/94/37/503139437.db2.gz RAAZNZFBPDIVSR-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000490437644 503174440 /nfs/dbraw/zinc/17/44/40/503174440.db2.gz UTGRJZCTRVXGHP-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000490437644 503174444 /nfs/dbraw/zinc/17/44/44/503174444.db2.gz UTGRJZCTRVXGHP-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000498403462 503179839 /nfs/dbraw/zinc/17/98/39/503179839.db2.gz IZXQZDKQZHFBKT-UHFFFAOYSA-N 1 2 350.378 3.327 20 5 FGBDLO Cc1ccnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599178471 506360562 /nfs/dbraw/zinc/36/05/62/506360562.db2.gz GXSLXNNYSNOQJK-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507244289 503258461 /nfs/dbraw/zinc/25/84/61/503258461.db2.gz VKEHTYRLIWIZKH-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507244289 503258463 /nfs/dbraw/zinc/25/84/63/503258463.db2.gz VKEHTYRLIWIZKH-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO O=[N+]([O-])c1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000502739123 503260832 /nfs/dbraw/zinc/26/08/32/503260832.db2.gz KVAZSFDQMATZAA-UHFFFAOYSA-N 1 2 360.377 3.378 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602955954 506364979 /nfs/dbraw/zinc/36/49/79/506364979.db2.gz MQJYABXGVZZPNC-UHFFFAOYSA-N 1 2 374.466 3.253 20 5 FGBDLO Cc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC000515461131 503343313 /nfs/dbraw/zinc/34/33/13/503343313.db2.gz GSIRWIZOMBOZCO-UHFFFAOYSA-N 1 2 353.382 3.452 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602956373 506366005 /nfs/dbraw/zinc/36/60/05/506366005.db2.gz NXBJJYARADKUMV-UHFFFAOYSA-N 1 2 374.466 3.253 20 5 FGBDLO CCOc1cc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)ccc1[N+](=O)[O-] ZINC000492417890 503368111 /nfs/dbraw/zinc/36/81/11/503368111.db2.gz PXQVIEKUKCVOGP-UHFFFAOYSA-N 1 2 362.382 3.314 20 5 FGBDLO CCOc1cc(C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)ccc1[N+](=O)[O-] ZINC000492417890 503368113 /nfs/dbraw/zinc/36/81/13/503368113.db2.gz PXQVIEKUKCVOGP-UHFFFAOYSA-N 1 2 362.382 3.314 20 5 FGBDLO CC(C)(C)Oc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000602962300 506369251 /nfs/dbraw/zinc/36/92/51/506369251.db2.gz IHQPCFPTVGVTHK-IBGZPJMESA-N 1 2 359.426 3.164 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519869 503431192 /nfs/dbraw/zinc/43/11/92/503431192.db2.gz DXSIMCFXHQUACJ-QLFBSQMISA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519869 503431195 /nfs/dbraw/zinc/43/11/95/503431195.db2.gz DXSIMCFXHQUACJ-QLFBSQMISA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519871 503431628 /nfs/dbraw/zinc/43/16/28/503431628.db2.gz DXSIMCFXHQUACJ-ZNMIVQPWSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519871 503431633 /nfs/dbraw/zinc/43/16/33/503431633.db2.gz DXSIMCFXHQUACJ-ZNMIVQPWSA-N 1 2 367.877 3.322 20 5 FGBDLO CC[N@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000516149594 503456530 /nfs/dbraw/zinc/45/65/30/503456530.db2.gz AUWGMSJEXKPCHY-UHFFFAOYSA-N 1 2 356.426 3.311 20 5 FGBDLO CC[N@@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000516149594 503456532 /nfs/dbraw/zinc/45/65/32/503456532.db2.gz AUWGMSJEXKPCHY-UHFFFAOYSA-N 1 2 356.426 3.311 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000512241312 503495793 /nfs/dbraw/zinc/49/57/93/503495793.db2.gz TVYQGLOKHMBTFJ-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512534988 503579373 /nfs/dbraw/zinc/57/93/73/503579373.db2.gz BDJUSWAMWASTQO-UHFFFAOYSA-N 1 2 361.442 3.219 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccccc1Br ZINC000540423569 503766847 /nfs/dbraw/zinc/76/68/47/503766847.db2.gz WETZTEFXPUFPGE-UHFFFAOYSA-N 1 2 353.220 3.116 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000543449469 503774911 /nfs/dbraw/zinc/77/49/11/503774911.db2.gz LWHGXVRLJSGSQJ-KRWDZBQOSA-N 1 2 360.377 3.473 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CC)CN1C(C)=O ZINC000543859081 503919080 /nfs/dbraw/zinc/91/90/80/503919080.db2.gz IMCSJXOHGFRQAF-HUUCEWRRSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CC)CN1C(C)=O ZINC000543859081 503919084 /nfs/dbraw/zinc/91/90/84/503919084.db2.gz IMCSJXOHGFRQAF-HUUCEWRRSA-N 1 2 353.850 3.470 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)[C@@H]3CCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000537694026 504008386 /nfs/dbraw/zinc/00/83/86/504008386.db2.gz SMUNWRHTDACJEU-MRXNPFEDSA-N 1 2 371.462 3.375 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@H+](C)[C@@H]3CCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000537694026 504008390 /nfs/dbraw/zinc/00/83/90/504008390.db2.gz SMUNWRHTDACJEU-MRXNPFEDSA-N 1 2 371.462 3.375 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cn1 ZINC000534336967 504115134 /nfs/dbraw/zinc/11/51/34/504115134.db2.gz KGYPDNHTTGFDAR-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1nnc2n1CCC2 ZINC000534334498 504115298 /nfs/dbraw/zinc/11/52/98/504115298.db2.gz WNTKOXFCIQEHSG-UHFFFAOYSA-N 1 2 369.450 3.493 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1nnc2n1CCC2 ZINC000534334498 504115301 /nfs/dbraw/zinc/11/53/01/504115301.db2.gz WNTKOXFCIQEHSG-UHFFFAOYSA-N 1 2 369.450 3.493 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]Cc2cnc(C)[nH]c2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541567778 504179457 /nfs/dbraw/zinc/17/94/57/504179457.db2.gz PNDKLZXTGFOTFA-SFHVURJKSA-N 1 2 368.393 3.433 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000541740678 504238635 /nfs/dbraw/zinc/23/86/35/504238635.db2.gz OKTQKGOXJCUDOI-IBGZPJMESA-N 1 2 350.378 3.273 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000541932744 504306807 /nfs/dbraw/zinc/30/68/07/504306807.db2.gz VJJUKGYVVOUFFG-GASCZTMLSA-N 1 2 371.441 3.227 20 5 FGBDLO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000520293230 504456921 /nfs/dbraw/zinc/45/69/21/504456921.db2.gz YTOUMHPOUUOYKJ-MRXNPFEDSA-N 1 2 361.442 3.075 20 5 FGBDLO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000520293230 504456927 /nfs/dbraw/zinc/45/69/27/504456927.db2.gz YTOUMHPOUUOYKJ-MRXNPFEDSA-N 1 2 361.442 3.075 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000539277232 504518009 /nfs/dbraw/zinc/51/80/09/504518009.db2.gz WENVLBWQPWDMQM-GFCCVEGCSA-N 1 2 363.439 3.396 20 5 FGBDLO Cc1cccn2cc(Cc3noc(COc4ccc([N+](=O)[O-])cc4)n3)[nH+]c12 ZINC000545677651 504559074 /nfs/dbraw/zinc/55/90/74/504559074.db2.gz ZBFRKJOHEFFQAC-UHFFFAOYSA-N 1 2 365.349 3.104 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000536625285 504770921 /nfs/dbraw/zinc/77/09/21/504770921.db2.gz BXLAAHQYZCAKSJ-SECBINFHSA-N 1 2 369.219 3.330 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)cn1 ZINC000562418347 504814117 /nfs/dbraw/zinc/81/41/17/504814117.db2.gz NWPHFXRAIMMQQH-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccn12 ZINC000565181321 504819231 /nfs/dbraw/zinc/81/92/31/504819231.db2.gz GRHZECAFXHDCRU-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549999141 504949558 /nfs/dbraw/zinc/94/95/58/504949558.db2.gz SEWNCQVKPNCFQA-MRXNPFEDSA-N 1 2 374.359 3.384 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549999141 504949560 /nfs/dbraw/zinc/94/95/60/504949560.db2.gz SEWNCQVKPNCFQA-MRXNPFEDSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563494242 505155625 /nfs/dbraw/zinc/15/56/25/505155625.db2.gz HTVODMGMHKMLQL-SNVBAGLBSA-N 1 2 361.364 3.349 20 5 FGBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563494242 505155629 /nfs/dbraw/zinc/15/56/29/505155629.db2.gz HTVODMGMHKMLQL-SNVBAGLBSA-N 1 2 361.364 3.349 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3nc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000560815779 505192503 /nfs/dbraw/zinc/19/25/03/505192503.db2.gz HURVKZQUZIIHMN-SNVBAGLBSA-N 1 2 358.354 3.406 20 5 FGBDLO Cc1ccc2nc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)cn2c1 ZINC000557783644 505230350 /nfs/dbraw/zinc/23/03/50/505230350.db2.gz YNPCEVPCKLSKJB-UHFFFAOYSA-N 1 2 362.336 3.442 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000554834877 505275411 /nfs/dbraw/zinc/27/54/11/505275411.db2.gz BVVYSLSAHDMBOZ-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000554834877 505275415 /nfs/dbraw/zinc/27/54/15/505275415.db2.gz BVVYSLSAHDMBOZ-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO CSc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000564022603 505304454 /nfs/dbraw/zinc/30/44/54/505304454.db2.gz OZLHPGXAURGRNW-UHFFFAOYSA-N 1 2 355.379 3.150 20 5 FGBDLO C[C@@H]1CC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000555000265 505324988 /nfs/dbraw/zinc/32/49/88/505324988.db2.gz YYNWKSHNLMVFIF-ZIAGYGMSSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000558396125 505376411 /nfs/dbraw/zinc/37/64/11/505376411.db2.gz DVVWOHYDRSGACG-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000567251199 505408575 /nfs/dbraw/zinc/40/85/75/505408575.db2.gz NHTQHCHIONHTEW-GFCCVEGCSA-N 1 2 369.849 3.465 20 5 FGBDLO Cc1cccc(CC2(O)CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000555462914 505436570 /nfs/dbraw/zinc/43/65/70/505436570.db2.gz RUDNPTSBWTXMPY-UHFFFAOYSA-N 1 2 356.422 3.178 20 5 FGBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)s1 ZINC000555742448 505505277 /nfs/dbraw/zinc/50/52/77/505505277.db2.gz QUAPHJPYQUQCLA-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1cc(N2CCCC[C@H]2[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596436456 506404038 /nfs/dbraw/zinc/40/40/38/506404038.db2.gz RWVKUAZFLWONMJ-GUYCJALGSA-N 1 2 356.426 3.348 20 5 FGBDLO Cc1cc(N2CCC[C@@](O)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596460729 506417223 /nfs/dbraw/zinc/41/72/23/506417223.db2.gz AHLQBTOYUJWHRH-IBGZPJMESA-N 1 2 354.410 3.102 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582902952 506481794 /nfs/dbraw/zinc/48/17/94/506481794.db2.gz ZBTSICYHCAWHLH-CYBMUJFWSA-N 1 2 368.842 3.108 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582902952 506481800 /nfs/dbraw/zinc/48/18/00/506481800.db2.gz ZBTSICYHCAWHLH-CYBMUJFWSA-N 1 2 368.842 3.108 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000589496756 506568102 /nfs/dbraw/zinc/56/81/02/506568102.db2.gz MTSSAIIDBKVSLJ-LIRRHRJNSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000589496756 506568106 /nfs/dbraw/zinc/56/81/06/506568106.db2.gz MTSSAIIDBKVSLJ-LIRRHRJNSA-N 1 2 370.405 3.343 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscc3C(F)(F)F)CC2)cn1 ZINC000589495115 506569126 /nfs/dbraw/zinc/56/91/26/506569126.db2.gz SVEJBXGVRNOKRE-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000603909434 506655679 /nfs/dbraw/zinc/65/56/79/506655679.db2.gz MXILYBWYXXRKJI-UHFFFAOYSA-N 1 2 360.439 3.218 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599829580 506661514 /nfs/dbraw/zinc/66/15/14/506661514.db2.gz IQYZKBLRYGGAIX-GFCCVEGCSA-N 1 2 366.381 3.278 20 5 FGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH+]1 ZINC000593734154 506751701 /nfs/dbraw/zinc/75/17/01/506751701.db2.gz WZNMRXCJMUQBBY-UHFFFAOYSA-N 1 2 367.203 3.054 20 5 FGBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nn1 ZINC000597211019 506838492 /nfs/dbraw/zinc/83/84/92/506838492.db2.gz PMCLHSDEDJZFNS-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nn1 ZINC000597211019 506838494 /nfs/dbraw/zinc/83/84/94/506838494.db2.gz PMCLHSDEDJZFNS-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO CN1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1=O ZINC000597214690 506840541 /nfs/dbraw/zinc/84/05/41/506840541.db2.gz ROQVGGSZLFZTHP-UHFFFAOYSA-N 1 2 373.384 3.190 20 5 FGBDLO CN1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1=O ZINC000597214690 506840549 /nfs/dbraw/zinc/84/05/49/506840549.db2.gz ROQVGGSZLFZTHP-UHFFFAOYSA-N 1 2 373.384 3.190 20 5 FGBDLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000604528458 506862546 /nfs/dbraw/zinc/86/25/46/506862546.db2.gz RRWNLXHIDWBONA-UHFFFAOYSA-N 1 2 370.331 3.163 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000594021398 506887440 /nfs/dbraw/zinc/88/74/40/506887440.db2.gz VMXORUVIFSBDLO-UHFFFAOYSA-N 1 2 364.352 3.015 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1 ZINC000594021444 506887733 /nfs/dbraw/zinc/88/77/33/506887733.db2.gz VYRGZHOELHKWRS-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO COc1cccc2c1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000590759707 506941494 /nfs/dbraw/zinc/94/14/94/506941494.db2.gz JHYCMRQBQSVEQB-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000590759707 506941503 /nfs/dbraw/zinc/94/15/03/506941503.db2.gz JHYCMRQBQSVEQB-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO O=C(NC1(C(F)F)CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590766076 506944330 /nfs/dbraw/zinc/94/43/30/506944330.db2.gz YYUFZDDKCMOBCS-UHFFFAOYSA-N 1 2 350.325 3.088 20 5 FGBDLO COc1ccc(CC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000609875937 507033584 /nfs/dbraw/zinc/03/35/84/507033584.db2.gz JVMMAFXKEIGKBI-UHFFFAOYSA-N 1 2 352.350 3.175 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601000388 507222863 /nfs/dbraw/zinc/22/28/63/507222863.db2.gz UGPIAXNNOSQXRH-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601136969 507274638 /nfs/dbraw/zinc/27/46/38/507274638.db2.gz OFTUHWQEGFGSOU-AWEZNQCLSA-N 1 2 356.300 3.142 20 5 FGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595046137 507366818 /nfs/dbraw/zinc/36/68/18/507366818.db2.gz XXVLYOSDIBDUAK-UWVGGRQHSA-N 1 2 365.411 3.258 20 5 FGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094173 507387981 /nfs/dbraw/zinc/38/79/81/507387981.db2.gz HSQRPZKNBUZOTD-QZTJIDSGSA-N 1 2 358.442 3.213 20 5 FGBDLO CCOC(=O)Cc1ccc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000591926659 507412815 /nfs/dbraw/zinc/41/28/15/507412815.db2.gz HFQDTTRGFGVWOE-UHFFFAOYSA-N 1 2 368.393 3.269 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000595357101 507468964 /nfs/dbraw/zinc/46/89/64/507468964.db2.gz YDDVDGQDMFCNNQ-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000598582263 507505542 /nfs/dbraw/zinc/50/55/42/507505542.db2.gz VUJFJZJZANIERD-UHFFFAOYSA-N 1 2 370.331 3.489 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140004 507532104 /nfs/dbraw/zinc/53/21/04/507532104.db2.gz FZJQBUWVGRIZKX-LBPRGKRZSA-N 1 2 369.381 3.241 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140004 507532111 /nfs/dbraw/zinc/53/21/11/507532111.db2.gz FZJQBUWVGRIZKX-LBPRGKRZSA-N 1 2 369.381 3.241 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598648712 507532358 /nfs/dbraw/zinc/53/23/58/507532358.db2.gz JXLQSLZBUCMPKJ-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598648712 507532365 /nfs/dbraw/zinc/53/23/65/507532365.db2.gz JXLQSLZBUCMPKJ-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598650687 507534831 /nfs/dbraw/zinc/53/48/31/507534831.db2.gz VZQYHAMMDHMHRT-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598650687 507534838 /nfs/dbraw/zinc/53/48/38/507534838.db2.gz VZQYHAMMDHMHRT-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595512831 507537871 /nfs/dbraw/zinc/53/78/71/507537871.db2.gz VYDPICPQVGLXMJ-JTQLQIEISA-N 1 2 368.796 3.394 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595512831 507537879 /nfs/dbraw/zinc/53/78/79/507537879.db2.gz VYDPICPQVGLXMJ-JTQLQIEISA-N 1 2 368.796 3.394 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000611203077 507559811 /nfs/dbraw/zinc/55/98/11/507559811.db2.gz IKSBYSYXQWGKHI-UHFFFAOYSA-N 1 2 359.407 3.005 20 5 FGBDLO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602076638 507581785 /nfs/dbraw/zinc/58/17/85/507581785.db2.gz ZMCGJPYLYNWSLW-ZWNOBZJWSA-N 1 2 356.304 3.162 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000611265006 507590142 /nfs/dbraw/zinc/59/01/42/507590142.db2.gz IGJXYLGBMDYILA-VBKZILBWSA-N 1 2 370.405 3.328 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000611265006 507590148 /nfs/dbraw/zinc/59/01/48/507590148.db2.gz IGJXYLGBMDYILA-VBKZILBWSA-N 1 2 370.405 3.328 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000602152720 507607110 /nfs/dbraw/zinc/60/71/10/507607110.db2.gz RYMWFXGZXUGWFC-GOSISDBHSA-N 1 2 369.421 3.433 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000602152720 507607120 /nfs/dbraw/zinc/60/71/20/507607120.db2.gz RYMWFXGZXUGWFC-GOSISDBHSA-N 1 2 369.421 3.433 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000585800642 507636754 /nfs/dbraw/zinc/63/67/54/507636754.db2.gz DHBDDJIESUYZMJ-UAGQMJEPSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000585800642 507636758 /nfs/dbraw/zinc/63/67/58/507636758.db2.gz DHBDDJIESUYZMJ-UAGQMJEPSA-N 1 2 354.834 3.000 20 5 FGBDLO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000611410125 507670107 /nfs/dbraw/zinc/67/01/07/507670107.db2.gz KXMASZGQNSWHGU-XHDPSFHLSA-N 1 2 364.398 3.303 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595822346 507701985 /nfs/dbraw/zinc/70/19/85/507701985.db2.gz RKLNMCHIVTXIJP-AWEZNQCLSA-N 1 2 373.453 3.121 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595822346 507701990 /nfs/dbraw/zinc/70/19/90/507701990.db2.gz RKLNMCHIVTXIJP-AWEZNQCLSA-N 1 2 373.453 3.121 20 5 FGBDLO CC(C)c1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000611560637 507739708 /nfs/dbraw/zinc/73/97/08/507739708.db2.gz HYGZDPPXVIJMGG-KRWDZBQOSA-N 1 2 355.398 3.319 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000615199279 507775528 /nfs/dbraw/zinc/77/55/28/507775528.db2.gz GMNGKEWBJQZDLQ-UHFFFAOYSA-N 1 2 372.812 3.485 20 5 FGBDLO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccs1 ZINC000118848010 700615328 /nfs/dbraw/zinc/61/53/28/700615328.db2.gz XOZDQCUYFDJNFJ-UHFFFAOYSA-N 1 2 354.819 3.168 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000122536181 700691642 /nfs/dbraw/zinc/69/16/42/700691642.db2.gz JSKXMSVVRLJEJC-UHFFFAOYSA-N 1 2 361.789 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000151564896 704928464 /nfs/dbraw/zinc/92/84/64/704928464.db2.gz RTSXQGFPKZXWBJ-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000151564896 704928466 /nfs/dbraw/zinc/92/84/66/704928466.db2.gz RTSXQGFPKZXWBJ-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151572173 704929050 /nfs/dbraw/zinc/92/90/50/704929050.db2.gz FMVWFPBKCUSDRI-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151572173 704929051 /nfs/dbraw/zinc/92/90/51/704929051.db2.gz FMVWFPBKCUSDRI-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187640189 712750322 /nfs/dbraw/zinc/75/03/22/712750322.db2.gz WKYFABDJLWBZMH-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187640189 712750325 /nfs/dbraw/zinc/75/03/25/712750325.db2.gz WKYFABDJLWBZMH-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373967590 713888983 /nfs/dbraw/zinc/88/89/83/713888983.db2.gz HTURTWRQOJGNEM-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373967590 713888986 /nfs/dbraw/zinc/88/89/86/713888986.db2.gz HTURTWRQOJGNEM-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCc4cn[nH]c4C3)cs2)c1 ZINC000374544717 713929643 /nfs/dbraw/zinc/92/96/43/713929643.db2.gz HRKZYJPPNIZHGP-CYBMUJFWSA-N 1 2 355.423 3.089 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000575829705 714459396 /nfs/dbraw/zinc/45/93/96/714459396.db2.gz FOVLGMLQAHIRHP-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000733330425 722495790 /nfs/dbraw/zinc/49/57/90/722495790.db2.gz ZBIZAVADVDQBPM-GFCCVEGCSA-N 1 2 361.345 3.385 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000765460552 723514755 /nfs/dbraw/zinc/51/47/55/723514755.db2.gz YMWUWQWPXDWOIY-UHFFFAOYSA-N 1 2 366.215 3.273 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000796060722 723619423 /nfs/dbraw/zinc/61/94/23/723619423.db2.gz HLNKCIAYNCCZLD-UHFFFAOYSA-N 1 2 351.309 3.456 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000796060722 723619424 /nfs/dbraw/zinc/61/94/24/723619424.db2.gz HLNKCIAYNCCZLD-UHFFFAOYSA-N 1 2 351.309 3.456 20 5 FGBDLO CSc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813170274 726845935 /nfs/dbraw/zinc/84/59/35/726845935.db2.gz BASDEUCLNOIEBF-AWEZNQCLSA-N 1 2 362.407 3.341 20 5 FGBDLO CSc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813170274 726845939 /nfs/dbraw/zinc/84/59/39/726845939.db2.gz BASDEUCLNOIEBF-AWEZNQCLSA-N 1 2 362.407 3.341 20 5 FGBDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000814033523 726933538 /nfs/dbraw/zinc/93/35/38/726933538.db2.gz BUTRXGJVHLRDSQ-BXUZGUMPSA-N 1 2 362.348 3.297 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000820632155 729012952 /nfs/dbraw/zinc/01/29/52/729012952.db2.gz FATUKIOOVFWAIF-OAHLLOKOSA-N 1 2 350.802 3.120 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1 ZINC000820632155 729012954 /nfs/dbraw/zinc/01/29/54/729012954.db2.gz FATUKIOOVFWAIF-OAHLLOKOSA-N 1 2 350.802 3.120 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c([N+](=O)[O-])c1 ZINC000844383198 730710488 /nfs/dbraw/zinc/71/04/88/730710488.db2.gz QGVIXJBKVXMQDP-UHFFFAOYSA-N 1 2 363.267 3.369 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852050210 731538330 /nfs/dbraw/zinc/53/83/30/731538330.db2.gz JXHHAVSMXVQWTN-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852050210 731538335 /nfs/dbraw/zinc/53/83/35/731538335.db2.gz JXHHAVSMXVQWTN-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852416652 731581715 /nfs/dbraw/zinc/58/17/15/731581715.db2.gz DWFDCJGMILYGHX-RKDXNWHRSA-N 1 2 354.819 3.383 20 5 FGBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c2nccn21 ZINC000883295536 737548380 /nfs/dbraw/zinc/54/83/80/737548380.db2.gz LOLVRTZRTJZXNP-CABZTGNLSA-N 1 2 351.204 3.349 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891533429 739912426 /nfs/dbraw/zinc/91/24/26/739912426.db2.gz ZVZQTQMGTDMKFR-GJZGRUSLSA-N 1 2 358.797 3.314 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891533429 739912430 /nfs/dbraw/zinc/91/24/30/739912430.db2.gz ZVZQTQMGTDMKFR-GJZGRUSLSA-N 1 2 358.797 3.314 20 5 FGBDLO COC(=O)c1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000894904288 742350337 /nfs/dbraw/zinc/35/03/37/742350337.db2.gz OCHIZHLCKRHTCD-ZDUSSCGKSA-N 1 2 361.423 3.218 20 5 FGBDLO COC(=O)c1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000894904288 742350343 /nfs/dbraw/zinc/35/03/43/742350343.db2.gz OCHIZHLCKRHTCD-ZDUSSCGKSA-N 1 2 361.423 3.218 20 5 FGBDLO COc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000922700188 758985225 /nfs/dbraw/zinc/98/52/25/758985225.db2.gz HKIFFMCJIXGOND-UHFFFAOYSA-N 1 2 363.439 3.237 20 5 FGBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927089518 759888991 /nfs/dbraw/zinc/88/89/91/759888991.db2.gz CHWBLBJLIODIQR-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO Cc1cc(Cl)c(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927765263 760040779 /nfs/dbraw/zinc/04/07/79/760040779.db2.gz PWILSIDXLUTSJU-UHFFFAOYSA-N 1 2 368.846 3.005 20 5 FGBDLO CCn1cc([C@@H](C)[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000930655661 760664541 /nfs/dbraw/zinc/66/45/41/760664541.db2.gz JFSKDPXSOJWLCX-SNVBAGLBSA-N 1 2 353.220 3.425 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C3CCC3)CC2)ccc1Br ZINC000932819648 761253671 /nfs/dbraw/zinc/25/36/71/761253671.db2.gz PUDRHDGSSLZABL-UHFFFAOYSA-N 1 2 369.259 3.484 20 5 FGBDLO O=C1OCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000933620063 761440484 /nfs/dbraw/zinc/44/04/84/761440484.db2.gz OUQHNQWWZXYWHT-UHFFFAOYSA-N 1 2 353.806 3.055 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000108976436 209295242 /nfs/dbraw/zinc/29/52/42/209295242.db2.gz OTBPRYHVVNTIGY-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO COc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000108976436 209295243 /nfs/dbraw/zinc/29/52/43/209295243.db2.gz OTBPRYHVVNTIGY-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000047259410 208376706 /nfs/dbraw/zinc/37/67/06/208376706.db2.gz RUGYRYYVKXTWEI-VIFPVBQESA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000047259410 208376711 /nfs/dbraw/zinc/37/67/11/208376711.db2.gz RUGYRYYVKXTWEI-VIFPVBQESA-N 1 2 368.846 3.472 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000576687788 505571077 /nfs/dbraw/zinc/57/10/77/505571077.db2.gz ANUSKGOPWQWMOT-MRXNPFEDSA-N 1 2 357.414 3.248 20 5 FGBDLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000048273706 493810400 /nfs/dbraw/zinc/81/04/00/493810400.db2.gz FABATKANFXQUIG-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000048273706 493810403 /nfs/dbraw/zinc/81/04/03/493810403.db2.gz FABATKANFXQUIG-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000029081489 493814683 /nfs/dbraw/zinc/81/46/83/493814683.db2.gz ZSWFQWKHWGGXNI-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000081090202 493828906 /nfs/dbraw/zinc/82/89/06/493828906.db2.gz KIHMAFUTCWWDKB-UHFFFAOYSA-N 1 2 356.407 3.173 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cn21 ZINC000068570018 493843321 /nfs/dbraw/zinc/84/33/21/493843321.db2.gz UCIXBDCYRQDRLM-CYBMUJFWSA-N 1 2 370.434 3.348 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000048938343 493852752 /nfs/dbraw/zinc/85/27/52/493852752.db2.gz LADRBLXQJTXMQN-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000081317733 493868483 /nfs/dbraw/zinc/86/84/83/493868483.db2.gz FWAUJODBJRIHFX-QGZVFWFLSA-N 1 2 350.378 3.042 20 5 FGBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000076495623 493906297 /nfs/dbraw/zinc/90/62/97/493906297.db2.gz NLMPYANIMDFLNH-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000076495623 493906302 /nfs/dbraw/zinc/90/63/02/493906302.db2.gz NLMPYANIMDFLNH-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000069081004 493917591 /nfs/dbraw/zinc/91/75/91/493917591.db2.gz YVZIXDSBSVQEDN-CYBMUJFWSA-N 1 2 353.382 3.111 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000050931508 493938593 /nfs/dbraw/zinc/93/85/93/493938593.db2.gz WXJOEBDGZACPQG-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO Cc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000081929499 493966838 /nfs/dbraw/zinc/96/68/38/493966838.db2.gz TYYVQFKWKFLEBX-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000051451930 493970584 /nfs/dbraw/zinc/97/05/84/493970584.db2.gz IYZQAUVYOOYIJX-INIZCTEOSA-N 1 2 357.341 3.037 20 5 FGBDLO Cc1cc(NCCCOC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077229463 494037384 /nfs/dbraw/zinc/03/73/84/494037384.db2.gz NVTIXJLSQCUVOF-HNNXBMFYSA-N 1 2 372.425 3.215 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000008159984 494072219 /nfs/dbraw/zinc/07/22/19/494072219.db2.gz MWQGYBWOACUBEB-UHFFFAOYSA-N 1 2 369.830 3.389 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000008159984 494072223 /nfs/dbraw/zinc/07/22/23/494072223.db2.gz MWQGYBWOACUBEB-UHFFFAOYSA-N 1 2 369.830 3.389 20 5 FGBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000008307640 494082944 /nfs/dbraw/zinc/08/29/44/494082944.db2.gz ACMSWGSIIKHATF-UHFFFAOYSA-N 1 2 362.393 3.289 20 5 FGBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000008307640 494082949 /nfs/dbraw/zinc/08/29/49/494082949.db2.gz ACMSWGSIIKHATF-UHFFFAOYSA-N 1 2 362.393 3.289 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745677 494083247 /nfs/dbraw/zinc/08/32/47/494083247.db2.gz TZEHMYIWIBTJIW-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000087034434 494164122 /nfs/dbraw/zinc/16/41/22/494164122.db2.gz SBVLSBQMZCOGNR-IBGZPJMESA-N 1 2 364.405 3.167 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000055626974 494375720 /nfs/dbraw/zinc/37/57/20/494375720.db2.gz LKUKGOYVRJSLIX-UHFFFAOYSA-N 1 2 362.389 3.020 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000022261269 494518634 /nfs/dbraw/zinc/51/86/34/494518634.db2.gz XFLQFZBCBKGLQS-LBPRGKRZSA-N 1 2 354.395 3.239 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000022261586 494518736 /nfs/dbraw/zinc/51/87/36/494518736.db2.gz TWEHVZBWEBDWFR-LBPRGKRZSA-N 1 2 372.385 3.378 20 5 FGBDLO COc1ccccc1[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000074727531 494583796 /nfs/dbraw/zinc/58/37/96/494583796.db2.gz HQVNBAMCONPIJM-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO COc1ccccc1[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000074727527 494584201 /nfs/dbraw/zinc/58/42/01/494584201.db2.gz HQVNBAMCONPIJM-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO COc1cccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000023814630 494586534 /nfs/dbraw/zinc/58/65/34/494586534.db2.gz BIQMCVUOBSCQPC-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000023814630 494586542 /nfs/dbraw/zinc/58/65/42/494586542.db2.gz BIQMCVUOBSCQPC-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO Cc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074766924 494593728 /nfs/dbraw/zinc/59/37/28/494593728.db2.gz LGDJPYBPMZVKKC-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1cc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074766924 494593736 /nfs/dbraw/zinc/59/37/36/494593736.db2.gz LGDJPYBPMZVKKC-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1cccn2cc(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])[nH+]c12 ZINC000091628164 494632510 /nfs/dbraw/zinc/63/25/10/494632510.db2.gz ZPRYZECOZOHDKU-UHFFFAOYSA-N 1 2 367.409 3.301 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000057138780 494653350 /nfs/dbraw/zinc/65/33/50/494653350.db2.gz GQUWKOUMLYNIAY-BETUJISGSA-N 1 2 360.389 3.355 20 5 FGBDLO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000116454533 494790017 /nfs/dbraw/zinc/79/00/17/494790017.db2.gz KMUNGFAGAWFMKM-AWEZNQCLSA-N 1 2 369.421 3.256 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000026000455 494795704 /nfs/dbraw/zinc/79/57/04/494795704.db2.gz YZPMXDOLGFKPQS-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000075596732 494802117 /nfs/dbraw/zinc/80/21/17/494802117.db2.gz AIWVUVAZZZFILI-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@]3(CO)CCc4ccccc43)co2)cc1 ZINC000132562226 494893230 /nfs/dbraw/zinc/89/32/30/494893230.db2.gz QEHMQOARNSBOJE-HXUWFJFHSA-N 1 2 365.389 3.173 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])c1 ZINC000122159134 494933132 /nfs/dbraw/zinc/93/31/32/494933132.db2.gz XEIRIYPCMSQFIH-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000127674969 494979822 /nfs/dbraw/zinc/97/98/22/494979822.db2.gz GCDCODVNVMXFJX-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000127674969 494979826 /nfs/dbraw/zinc/97/98/26/494979826.db2.gz GCDCODVNVMXFJX-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000111176641 495046222 /nfs/dbraw/zinc/04/62/22/495046222.db2.gz OJZSOCLVWLNMCM-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO CCOC(=O)c1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000134147144 495113174 /nfs/dbraw/zinc/11/31/74/495113174.db2.gz OXRQXBFQQMDJTJ-CXAGYDPISA-N 1 2 358.398 3.056 20 5 FGBDLO CCOC(=O)c1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000134146933 495113371 /nfs/dbraw/zinc/11/33/71/495113371.db2.gz OXRQXBFQQMDJTJ-SUMWQHHRSA-N 1 2 358.398 3.056 20 5 FGBDLO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000128685323 495135074 /nfs/dbraw/zinc/13/50/74/495135074.db2.gz COVBXYUKTFBSNY-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124131165 495238521 /nfs/dbraw/zinc/23/85/21/495238521.db2.gz YCNRDNVAXSCYIF-UGSOOPFHSA-N 1 2 369.425 3.089 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124130920 495238683 /nfs/dbraw/zinc/23/86/83/495238683.db2.gz YCNRDNVAXSCYIF-ACJLOTCBSA-N 1 2 369.425 3.089 20 5 FGBDLO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135221039 495264830 /nfs/dbraw/zinc/26/48/30/495264830.db2.gz QRCVPAMPVPFCBR-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135221039 495264831 /nfs/dbraw/zinc/26/48/31/495264831.db2.gz QRCVPAMPVPFCBR-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000120068637 495300388 /nfs/dbraw/zinc/30/03/88/495300388.db2.gz UZYDMBZNOMENEK-UHFFFAOYSA-N 1 2 369.425 3.397 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000113941412 495338138 /nfs/dbraw/zinc/33/81/38/495338138.db2.gz AMNAXGUQRBLELY-CYBMUJFWSA-N 1 2 374.384 3.452 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000113941412 495338139 /nfs/dbraw/zinc/33/81/39/495338139.db2.gz AMNAXGUQRBLELY-CYBMUJFWSA-N 1 2 374.384 3.452 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120713203 495441296 /nfs/dbraw/zinc/44/12/96/495441296.db2.gz BWRWFPURHPKOKY-GFCCVEGCSA-N 1 2 362.817 3.077 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)cc1 ZINC000125421249 495441909 /nfs/dbraw/zinc/44/19/09/495441909.db2.gz VUKUJMYISOQYRL-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)cc1 ZINC000125421249 495441914 /nfs/dbraw/zinc/44/19/14/495441914.db2.gz VUKUJMYISOQYRL-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)c1 ZINC000125454844 495447348 /nfs/dbraw/zinc/44/73/48/495447348.db2.gz BCVKUQJPWUNPJZ-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)c1 ZINC000125454844 495447351 /nfs/dbraw/zinc/44/73/51/495447351.db2.gz BCVKUQJPWUNPJZ-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO Cn1c(=O)c2ccccc2nc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130878978 495460141 /nfs/dbraw/zinc/46/01/41/495460141.db2.gz CXZIUFODKQIARM-UHFFFAOYSA-N 1 2 364.405 3.006 20 5 FGBDLO Cn1c(=O)c2ccccc2nc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130878978 495460146 /nfs/dbraw/zinc/46/01/46/495460146.db2.gz CXZIUFODKQIARM-UHFFFAOYSA-N 1 2 364.405 3.006 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000121065063 495516277 /nfs/dbraw/zinc/51/62/77/495516277.db2.gz VMZPSOFHQBKXRK-AWEZNQCLSA-N 1 2 359.407 3.005 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000107291623 495524894 /nfs/dbraw/zinc/52/48/94/495524894.db2.gz OWXLDDUNDRUPJR-UHFFFAOYSA-N 1 2 355.272 3.492 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000158533670 495532474 /nfs/dbraw/zinc/53/24/74/495532474.db2.gz SZYIXKRQUNVTLL-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000158533670 495532477 /nfs/dbraw/zinc/53/24/77/495532477.db2.gz SZYIXKRQUNVTLL-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185494812 495599308 /nfs/dbraw/zinc/59/93/08/495599308.db2.gz FOMWOCUSMJSMDC-DCGLDWPTSA-N 1 2 360.389 3.144 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179920943 495784188 /nfs/dbraw/zinc/78/41/88/495784188.db2.gz VDSMXWJCNBSWHC-LBPRGKRZSA-N 1 2 361.373 3.056 20 5 FGBDLO Cn1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C(F)(F)F)n1 ZINC000154956900 495784366 /nfs/dbraw/zinc/78/43/66/495784366.db2.gz YZLHJNXGHOUHSN-UHFFFAOYSA-N 1 2 369.303 3.120 20 5 FGBDLO Cn1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C(F)(F)F)n1 ZINC000154956900 495784368 /nfs/dbraw/zinc/78/43/68/495784368.db2.gz YZLHJNXGHOUHSN-UHFFFAOYSA-N 1 2 369.303 3.120 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176801857 495790857 /nfs/dbraw/zinc/79/08/57/495790857.db2.gz MUGIRDRLXWNCIH-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186048559 495836879 /nfs/dbraw/zinc/83/68/79/495836879.db2.gz ZHLSXYYMVUKYQT-UHFFFAOYSA-N 1 2 360.332 3.337 20 5 FGBDLO Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000151511402 495862719 /nfs/dbraw/zinc/86/27/19/495862719.db2.gz JAFLDJUQWCVPLX-AWEZNQCLSA-N 1 2 357.414 3.123 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174219980 495869649 /nfs/dbraw/zinc/86/96/49/495869649.db2.gz PZGQDLOSYXSTBT-RYUDHWBXSA-N 1 2 361.373 3.420 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000183203961 495879317 /nfs/dbraw/zinc/87/93/17/495879317.db2.gz OIBYMKRHYDCNBH-KKPOOLQDSA-N 1 2 354.410 3.304 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000183251986 495901167 /nfs/dbraw/zinc/90/11/67/495901167.db2.gz KKNZEZJFUDSVKV-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000183251986 495901173 /nfs/dbraw/zinc/90/11/73/495901173.db2.gz KKNZEZJFUDSVKV-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171588959 495938795 /nfs/dbraw/zinc/93/87/95/495938795.db2.gz AJFAFEGELKEIBL-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO C[C@@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177382242 496039656 /nfs/dbraw/zinc/03/96/56/496039656.db2.gz QIQBBYMIQUPPLT-INIZCTEOSA-N 1 2 367.327 3.104 20 5 FGBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000161147671 496113560 /nfs/dbraw/zinc/11/35/60/496113560.db2.gz IJWQKLWXDWUPHZ-JQWIXIFHSA-N 1 2 364.427 3.128 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000172168236 496192149 /nfs/dbraw/zinc/19/21/49/496192149.db2.gz XZVWNVNCTMBSCN-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000172168236 496192154 /nfs/dbraw/zinc/19/21/54/496192154.db2.gz XZVWNVNCTMBSCN-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1O ZINC000177782516 496194176 /nfs/dbraw/zinc/19/41/76/496194176.db2.gz GUETUKBIOCUDCM-UHFFFAOYSA-N 1 2 352.350 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)cc1OC(F)F ZINC000180972759 496224714 /nfs/dbraw/zinc/22/47/14/496224714.db2.gz CKIUPGABFJDQIA-UHFFFAOYSA-N 1 2 361.308 3.389 20 5 FGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000177884632 496239480 /nfs/dbraw/zinc/23/94/80/496239480.db2.gz SBOARVBWSDJXHR-NXEZZACHSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000177884632 496239483 /nfs/dbraw/zinc/23/94/83/496239483.db2.gz SBOARVBWSDJXHR-NXEZZACHSA-N 1 2 356.220 3.026 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175141718 496263853 /nfs/dbraw/zinc/26/38/53/496263853.db2.gz LKXGCLNDSBHVBR-GOSISDBHSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175141718 496263856 /nfs/dbraw/zinc/26/38/56/496263856.db2.gz LKXGCLNDSBHVBR-GOSISDBHSA-N 1 2 356.426 3.407 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000152868832 496280483 /nfs/dbraw/zinc/28/04/83/496280483.db2.gz GSIOOUGZPNCBSM-CQSZACIVSA-N 1 2 367.409 3.425 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184256172 496306702 /nfs/dbraw/zinc/30/67/02/496306702.db2.gz JRIMXEDQSYZOIA-LLVKDONJSA-N 1 2 364.427 3.048 20 5 FGBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000162513697 496365591 /nfs/dbraw/zinc/36/55/91/496365591.db2.gz PSMUDWHIXSQWER-UHFFFAOYSA-N 1 2 369.849 3.466 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153248149 496395523 /nfs/dbraw/zinc/39/55/23/496395523.db2.gz GIHOTBNYLIBCMZ-UHFFFAOYSA-N 1 2 371.412 3.141 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153248149 496395525 /nfs/dbraw/zinc/39/55/25/496395525.db2.gz GIHOTBNYLIBCMZ-UHFFFAOYSA-N 1 2 371.412 3.141 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184592776 496455542 /nfs/dbraw/zinc/45/55/42/496455542.db2.gz ORAJZAQZGIHLFD-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000153523148 496484181 /nfs/dbraw/zinc/48/41/81/496484181.db2.gz JASTXVMHDZUEAE-CYBMUJFWSA-N 1 2 368.846 3.190 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000187591460 496502844 /nfs/dbraw/zinc/50/28/44/496502844.db2.gz KHDNMFJCCFXEIL-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000187591460 496502850 /nfs/dbraw/zinc/50/28/50/496502850.db2.gz KHDNMFJCCFXEIL-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000153636201 496528025 /nfs/dbraw/zinc/52/80/25/496528025.db2.gz GAPOCEMHPNIISJ-KBPBESRZSA-N 1 2 371.315 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000153636201 496528033 /nfs/dbraw/zinc/52/80/33/496528033.db2.gz GAPOCEMHPNIISJ-KBPBESRZSA-N 1 2 371.315 3.137 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184809302 496540415 /nfs/dbraw/zinc/54/04/15/496540415.db2.gz YZPDLNUXAWQHDL-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184809302 496540420 /nfs/dbraw/zinc/54/04/20/496540420.db2.gz YZPDLNUXAWQHDL-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000187720898 496546112 /nfs/dbraw/zinc/54/61/12/496546112.db2.gz WOPULTPOOMJNBN-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000153887892 496613766 /nfs/dbraw/zinc/61/37/66/496613766.db2.gz MYHMZDOFNQTAQB-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000153887892 496613771 /nfs/dbraw/zinc/61/37/71/496613771.db2.gz MYHMZDOFNQTAQB-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000154019184 496657066 /nfs/dbraw/zinc/65/70/66/496657066.db2.gz YBPNRNFJGCZSQR-ZFWWWQNUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000154019184 496657074 /nfs/dbraw/zinc/65/70/74/496657074.db2.gz YBPNRNFJGCZSQR-ZFWWWQNUSA-N 1 2 360.863 3.036 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)s1 ZINC000195018344 496792525 /nfs/dbraw/zinc/79/25/25/496792525.db2.gz PBAUAGWPBMWKMR-SFHVURJKSA-N 1 2 360.435 3.315 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)s1 ZINC000195018344 496792532 /nfs/dbraw/zinc/79/25/32/496792532.db2.gz PBAUAGWPBMWKMR-SFHVURJKSA-N 1 2 360.435 3.315 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000192248981 497048182 /nfs/dbraw/zinc/04/81/82/497048182.db2.gz JHEVWSXAJRELPH-UHFFFAOYSA-N 1 2 350.444 3.276 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000248615549 497058065 /nfs/dbraw/zinc/05/80/65/497058065.db2.gz KCQTYUMCRICEBR-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000248615549 497058069 /nfs/dbraw/zinc/05/80/69/497058069.db2.gz KCQTYUMCRICEBR-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248682425 497079309 /nfs/dbraw/zinc/07/93/09/497079309.db2.gz GAOGKXRHQHJXCO-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248682425 497079314 /nfs/dbraw/zinc/07/93/14/497079314.db2.gz GAOGKXRHQHJXCO-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265325181 497100523 /nfs/dbraw/zinc/10/05/23/497100523.db2.gz SLDDPXVZEOQJTE-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000192598214 497160477 /nfs/dbraw/zinc/16/04/77/497160477.db2.gz KABOXJKUDZAYQZ-CYBMUJFWSA-N 1 2 353.373 3.113 20 5 FGBDLO O=C(NCC(F)(F)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000578269093 505901017 /nfs/dbraw/zinc/90/10/17/505901017.db2.gz TXDYUHUYQOZQPB-UHFFFAOYSA-N 1 2 372.331 3.302 20 5 FGBDLO Cc1cc(NCc2nnc(C3CC3)o2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275346438 497297566 /nfs/dbraw/zinc/29/75/66/497297566.db2.gz IVIDCEYIGMXDRZ-UHFFFAOYSA-N 1 2 352.354 3.233 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279029824 497309985 /nfs/dbraw/zinc/30/99/85/497309985.db2.gz BGDJOYISQXSGLI-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CCCC2 ZINC000279256503 497384706 /nfs/dbraw/zinc/38/47/06/497384706.db2.gz ULZBQBYKZUPXSK-ZDUSSCGKSA-N 1 2 360.439 3.246 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2cccc(F)c2C1 ZINC000575074473 505914776 /nfs/dbraw/zinc/91/47/76/505914776.db2.gz MLNPIUQZBSPSTL-UHFFFAOYSA-N 1 2 371.412 3.129 20 5 FGBDLO COc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)c([N+](=O)[O-])cc1OC ZINC000267602569 497586338 /nfs/dbraw/zinc/58/63/38/497586338.db2.gz DZWMULSMTNDTLL-JTQLQIEISA-N 1 2 367.427 3.066 20 5 FGBDLO CCOC(=O)[C@@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000190823944 497614052 /nfs/dbraw/zinc/61/40/52/497614052.db2.gz MOEJDCZRNFWLGT-CYBMUJFWSA-N 1 2 373.409 3.208 20 5 FGBDLO CCOC(=O)[C@@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000190823944 497614056 /nfs/dbraw/zinc/61/40/56/497614056.db2.gz MOEJDCZRNFWLGT-CYBMUJFWSA-N 1 2 373.409 3.208 20 5 FGBDLO Cc1ccccc1[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497560 497643645 /nfs/dbraw/zinc/64/36/45/497643645.db2.gz GGRPXRVOYGLRNJ-OALUTQOASA-N 1 2 366.421 3.049 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@@H]2C1 ZINC000246183630 497651664 /nfs/dbraw/zinc/65/16/64/497651664.db2.gz DEBFDXYZGLQVKN-ZHALLVOQSA-N 1 2 364.442 3.150 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@@H]2C1 ZINC000246183630 497651668 /nfs/dbraw/zinc/65/16/68/497651668.db2.gz DEBFDXYZGLQVKN-ZHALLVOQSA-N 1 2 364.442 3.150 20 5 FGBDLO Cc1ccc([C@@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272528917 497652785 /nfs/dbraw/zinc/65/27/85/497652785.db2.gz MNYFGWBRWRHNTK-OALUTQOASA-N 1 2 366.421 3.049 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955532 497658862 /nfs/dbraw/zinc/65/88/62/497658862.db2.gz NGJRRFYDBFEXND-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955532 497658867 /nfs/dbraw/zinc/65/88/67/497658867.db2.gz NGJRRFYDBFEXND-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272552919 497660812 /nfs/dbraw/zinc/66/08/12/497660812.db2.gz RSBBNHDOFJRJMO-RTBURBONSA-N 1 2 366.421 3.395 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246218773 497665218 /nfs/dbraw/zinc/66/52/18/497665218.db2.gz ZEHVGHHKRUBJAS-UKRRQHHQSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246218773 497665224 /nfs/dbraw/zinc/66/52/24/497665224.db2.gz ZEHVGHHKRUBJAS-UKRRQHHQSA-N 1 2 360.863 3.036 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678665 /nfs/dbraw/zinc/67/86/65/497678665.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 1 2 371.441 3.369 20 5 FGBDLO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678669 /nfs/dbraw/zinc/67/86/69/497678669.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 1 2 371.441 3.369 20 5 FGBDLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000191055568 497695937 /nfs/dbraw/zinc/69/59/37/497695937.db2.gz CCGLHZUBSGJKCB-UHFFFAOYSA-N 1 2 363.439 3.237 20 5 FGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268226495 497706190 /nfs/dbraw/zinc/70/61/90/497706190.db2.gz DMVTZJQVXGCLQT-FZMZJTMJSA-N 1 2 352.341 3.480 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000280321825 497718922 /nfs/dbraw/zinc/71/89/22/497718922.db2.gz GUIVAUJXEGXGLW-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000280321825 497718927 /nfs/dbraw/zinc/71/89/27/497718927.db2.gz GUIVAUJXEGXGLW-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000575121026 505925612 /nfs/dbraw/zinc/92/56/12/505925612.db2.gz YMWUUBMMVAZKMS-QWHCGFSZSA-N 1 2 358.398 3.349 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000575121026 505925614 /nfs/dbraw/zinc/92/56/14/505925614.db2.gz YMWUUBMMVAZKMS-QWHCGFSZSA-N 1 2 358.398 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000280389047 497738741 /nfs/dbraw/zinc/73/87/41/497738741.db2.gz WVBGSNWHHPXWHC-CQSZACIVSA-N 1 2 374.290 3.456 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])sc1C ZINC000280406371 497743469 /nfs/dbraw/zinc/74/34/69/497743469.db2.gz LCUCDHLBXJUHDX-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])sc1C ZINC000280406371 497743474 /nfs/dbraw/zinc/74/34/74/497743474.db2.gz LCUCDHLBXJUHDX-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nccn3-c3ccccc3)CC2)c1 ZINC000191256697 497759645 /nfs/dbraw/zinc/75/96/45/497759645.db2.gz HKTXQVPWNFKTKQ-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO Cc1ccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280812271 497907825 /nfs/dbraw/zinc/90/78/25/497907825.db2.gz MDPLCXZMVFDKIJ-BLLLJJGKSA-N 1 2 368.480 3.229 20 5 FGBDLO Cc1c[nH+]c2cc(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])ccn12 ZINC000581319723 505960391 /nfs/dbraw/zinc/96/03/91/505960391.db2.gz JKSDNGIKEWSALT-UHFFFAOYSA-N 1 2 367.409 3.091 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000281065678 498008326 /nfs/dbraw/zinc/00/83/26/498008326.db2.gz ZCJIDBPCKKQCEZ-UHFFFAOYSA-N 1 2 372.425 3.165 20 5 FGBDLO C[S@](=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285660745 498162713 /nfs/dbraw/zinc/16/27/13/498162713.db2.gz PAMOQTAWKULBQJ-FYSMJZIKSA-N 1 2 354.378 3.082 20 5 FGBDLO Cc1ccnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000301789980 498265154 /nfs/dbraw/zinc/26/51/54/498265154.db2.gz MYTMBLBURJQDJD-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cc(NCc2ccnc3ccnn32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302063673 498392822 /nfs/dbraw/zinc/39/28/22/498392822.db2.gz RWDXUNORDOPLOQ-UHFFFAOYSA-N 1 2 361.365 3.015 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293542030 498407870 /nfs/dbraw/zinc/40/78/70/498407870.db2.gz YCTYIXJPWFRDPD-JTQLQIEISA-N 1 2 366.805 3.258 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293542030 498407877 /nfs/dbraw/zinc/40/78/77/498407877.db2.gz YCTYIXJPWFRDPD-JTQLQIEISA-N 1 2 366.805 3.258 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)C1CC1 ZINC000293661958 498445708 /nfs/dbraw/zinc/44/57/08/498445708.db2.gz YUGRXHFQFIGYOH-UHFFFAOYSA-N 1 2 371.359 3.104 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282414136 498501981 /nfs/dbraw/zinc/50/19/81/498501981.db2.gz STJIWAYXKDWOOG-LBPRGKRZSA-N 1 2 360.439 3.209 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297604462 498509062 /nfs/dbraw/zinc/50/90/62/498509062.db2.gz VFNQEWGLTOPFOE-CQSZACIVSA-N 1 2 352.398 3.020 20 5 FGBDLO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365529837 498516931 /nfs/dbraw/zinc/51/69/31/498516931.db2.gz RRWAISITRHHNFS-IAGOWNOFSA-N 1 2 359.430 3.121 20 5 FGBDLO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365529837 498516936 /nfs/dbraw/zinc/51/69/36/498516936.db2.gz RRWAISITRHHNFS-IAGOWNOFSA-N 1 2 359.430 3.121 20 5 FGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCSCC2)[nH+]cn1)C1CC1 ZINC000302860174 498602872 /nfs/dbraw/zinc/60/28/72/498602872.db2.gz UPMOPIJPFWXJSX-UHFFFAOYSA-N 1 2 371.466 3.107 20 5 FGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCSCC2)nc[nH+]1)C1CC1 ZINC000302860174 498602879 /nfs/dbraw/zinc/60/28/79/498602879.db2.gz UPMOPIJPFWXJSX-UHFFFAOYSA-N 1 2 371.466 3.107 20 5 FGBDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298279712 498720710 /nfs/dbraw/zinc/72/07/10/498720710.db2.gz OMCFBXDBRHPGJY-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298279712 498720717 /nfs/dbraw/zinc/72/07/17/498720717.db2.gz OMCFBXDBRHPGJY-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 ZINC000291019694 498760072 /nfs/dbraw/zinc/76/00/72/498760072.db2.gz XPMMTARQHJOBQB-CQSZACIVSA-N 1 2 352.341 3.148 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 ZINC000291019694 498760078 /nfs/dbraw/zinc/76/00/78/498760078.db2.gz XPMMTARQHJOBQB-CQSZACIVSA-N 1 2 352.341 3.148 20 5 FGBDLO CC(C)(CCc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1)[N+](=O)[O-] ZINC000291103090 498796648 /nfs/dbraw/zinc/79/66/48/498796648.db2.gz RQAQFGABNNLPJW-VMPITWQZSA-N 1 2 353.382 3.414 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000288218298 498970050 /nfs/dbraw/zinc/97/00/50/498970050.db2.gz VFCSDFQEZOJDCK-CQSZACIVSA-N 1 2 358.377 3.194 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000299232454 499001300 /nfs/dbraw/zinc/00/13/00/499001300.db2.gz QLPGJFCVFPVMIQ-KUHUBIRLSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000299232454 499001303 /nfs/dbraw/zinc/00/13/03/499001303.db2.gz QLPGJFCVFPVMIQ-KUHUBIRLSA-N 1 2 370.405 3.423 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000366704299 499040732 /nfs/dbraw/zinc/04/07/32/499040732.db2.gz RQVYVVWCBJMMQY-GFCCVEGCSA-N 1 2 350.806 3.025 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000366704299 499040738 /nfs/dbraw/zinc/04/07/38/499040738.db2.gz RQVYVVWCBJMMQY-GFCCVEGCSA-N 1 2 350.806 3.025 20 5 FGBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079829 499145233 /nfs/dbraw/zinc/14/52/33/499145233.db2.gz IEKHQQMICSQVAZ-DZGCQCFKSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079829 499145235 /nfs/dbraw/zinc/14/52/35/499145235.db2.gz IEKHQQMICSQVAZ-DZGCQCFKSA-N 1 2 368.397 3.239 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000370356055 499212720 /nfs/dbraw/zinc/21/27/20/499212720.db2.gz WWRPZEQBNGPBCD-INIZCTEOSA-N 1 2 360.435 3.336 20 5 FGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367611679 499217522 /nfs/dbraw/zinc/21/75/22/499217522.db2.gz DIBHYFQRIVZYCC-AWEZNQCLSA-N 1 2 369.406 3.419 20 5 FGBDLO Nc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000368477536 499300234 /nfs/dbraw/zinc/30/02/34/499300234.db2.gz HTWRZXFCZLPTQU-LBPRGKRZSA-N 1 2 366.381 3.006 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)CCC2 ZINC000371467122 499330646 /nfs/dbraw/zinc/33/06/46/499330646.db2.gz VZEIYRWIVPMBAP-HNNXBMFYSA-N 1 2 356.426 3.332 20 5 FGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371518142 499337069 /nfs/dbraw/zinc/33/70/69/499337069.db2.gz HBJXNBZIWNTPQV-GFCCVEGCSA-N 1 2 364.789 3.104 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020544 499390519 /nfs/dbraw/zinc/39/05/19/499390519.db2.gz MEBJNWGQLUICAU-DYVFJYSZSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020544 499390521 /nfs/dbraw/zinc/39/05/21/499390521.db2.gz MEBJNWGQLUICAU-DYVFJYSZSA-N 1 2 370.409 3.020 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707044 499484424 /nfs/dbraw/zinc/48/44/24/499484424.db2.gz IPOZVCPHOQGUFB-ROUUACIJSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707044 499484425 /nfs/dbraw/zinc/48/44/25/499484425.db2.gz IPOZVCPHOQGUFB-ROUUACIJSA-N 1 2 370.405 3.425 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000410852638 499682193 /nfs/dbraw/zinc/68/21/93/499682193.db2.gz MGODXJYNILJAOP-CYBMUJFWSA-N 1 2 368.315 3.228 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)[nH+]c12 ZINC000412093614 499822630 /nfs/dbraw/zinc/82/26/30/499822630.db2.gz WKEBPTXVHCMVAB-UHFFFAOYSA-N 1 2 368.393 3.268 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000412191989 499832301 /nfs/dbraw/zinc/83/23/01/499832301.db2.gz ZLWZMRIJVZVRKI-PBHICJAKSA-N 1 2 372.425 3.302 20 5 FGBDLO CS(=O)(=O)CC1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413323275 499941344 /nfs/dbraw/zinc/94/13/44/499941344.db2.gz HUHWJXVJDUOSSY-UHFFFAOYSA-N 1 2 363.439 3.158 20 5 FGBDLO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c2cccc(F)c2[nH+]1 ZINC000413332975 499942274 /nfs/dbraw/zinc/94/22/74/499942274.db2.gz MTUPPMFTLVPKPW-UHFFFAOYSA-N 1 2 367.384 3.312 20 5 FGBDLO Cc1cc(N2CCO[C@H](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413469240 499966117 /nfs/dbraw/zinc/96/61/17/499966117.db2.gz AVJGUALJTKYFTR-KRWDZBQOSA-N 1 2 354.410 3.366 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429361796 500060109 /nfs/dbraw/zinc/06/01/09/500060109.db2.gz GBDJGWBSDGQKTH-ZIAGYGMSSA-N 1 2 363.458 3.071 20 5 FGBDLO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000425438045 500106182 /nfs/dbraw/zinc/10/61/82/500106182.db2.gz ZZDFZYBZMMGFIK-NSHDSACASA-N 1 2 371.153 3.102 20 5 FGBDLO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000425438045 500106185 /nfs/dbraw/zinc/10/61/85/500106185.db2.gz ZZDFZYBZMMGFIK-NSHDSACASA-N 1 2 371.153 3.102 20 5 FGBDLO COC(=O)[C@@H](CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425450420 500109722 /nfs/dbraw/zinc/10/97/22/500109722.db2.gz VCYFPDYPRWBEGA-SFHVURJKSA-N 1 2 370.405 3.136 20 5 FGBDLO COC(=O)[C@@H](CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425450420 500109725 /nfs/dbraw/zinc/10/97/25/500109725.db2.gz VCYFPDYPRWBEGA-SFHVURJKSA-N 1 2 370.405 3.136 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425507828 500127953 /nfs/dbraw/zinc/12/79/53/500127953.db2.gz MWIQTBVNVIAKMC-UHFFFAOYSA-N 1 2 361.471 3.043 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000430218046 500210840 /nfs/dbraw/zinc/21/08/40/500210840.db2.gz KXQIKNDSJPTPPY-SFHVURJKSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000430218046 500210843 /nfs/dbraw/zinc/21/08/43/500210843.db2.gz KXQIKNDSJPTPPY-SFHVURJKSA-N 1 2 370.405 3.266 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432144470 500476262 /nfs/dbraw/zinc/47/62/62/500476262.db2.gz YHKNHIZCKCTPFM-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428358673 500499887 /nfs/dbraw/zinc/49/98/87/500499887.db2.gz DXWLCHDFWBRWRX-ZDUSSCGKSA-N 1 2 374.466 3.284 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCc2c1cccc2O ZINC000447802596 500665569 /nfs/dbraw/zinc/66/55/69/500665569.db2.gz LRRZNTDVTZPIIL-KRWDZBQOSA-N 1 2 369.421 3.232 20 5 FGBDLO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000438480738 500790869 /nfs/dbraw/zinc/79/08/69/500790869.db2.gz BELDLTWIOLTCLM-NSHDSACASA-N 1 2 370.247 3.274 20 5 FGBDLO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000438480738 500790873 /nfs/dbraw/zinc/79/08/73/500790873.db2.gz BELDLTWIOLTCLM-NSHDSACASA-N 1 2 370.247 3.274 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444040585 500795584 /nfs/dbraw/zinc/79/55/84/500795584.db2.gz SAXCJQGSTDGZEL-UHFFFAOYSA-N 1 2 372.428 3.308 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCCc2ccccc21 ZINC000438529805 500797736 /nfs/dbraw/zinc/79/77/36/500797736.db2.gz UKZMODMXMCSEDI-FQEVSTJZSA-N 1 2 365.433 3.147 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCCc2ccccc21 ZINC000438529805 500797739 /nfs/dbraw/zinc/79/77/39/500797739.db2.gz UKZMODMXMCSEDI-FQEVSTJZSA-N 1 2 365.433 3.147 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444732660 500890065 /nfs/dbraw/zinc/89/00/65/500890065.db2.gz LUAUSARLTAZQAR-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444732660 500890067 /nfs/dbraw/zinc/89/00/67/500890067.db2.gz LUAUSARLTAZQAR-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444730395 500890217 /nfs/dbraw/zinc/89/02/17/500890217.db2.gz JBYJSZADVVYJFL-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444730395 500890218 /nfs/dbraw/zinc/89/02/18/500890218.db2.gz JBYJSZADVVYJFL-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000439919176 500955560 /nfs/dbraw/zinc/95/55/60/500955560.db2.gz VOPVIJZOUCGACK-UHFFFAOYSA-N 1 2 359.386 3.012 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449525092 501024520 /nfs/dbraw/zinc/02/45/20/501024520.db2.gz AWFIZJZPPADDPF-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449525092 501024522 /nfs/dbraw/zinc/02/45/22/501024522.db2.gz AWFIZJZPPADDPF-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602611490 506231497 /nfs/dbraw/zinc/23/14/97/506231497.db2.gz DGFXBGDNSIEYMP-YFKPBYRVSA-N 1 2 363.262 3.430 20 5 FGBDLO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786687 501086565 /nfs/dbraw/zinc/08/65/65/501086565.db2.gz PLIPSHYFHFVKKV-UHFFFAOYSA-N 1 2 361.364 3.149 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441214495 501104037 /nfs/dbraw/zinc/10/40/37/501104037.db2.gz YPXONUSOWNDISV-YWZLYKJASA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441214495 501104042 /nfs/dbraw/zinc/10/40/42/501104042.db2.gz YPXONUSOWNDISV-YWZLYKJASA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450381885 501106697 /nfs/dbraw/zinc/10/66/97/501106697.db2.gz VQPOKSWPMOCGEU-HNNXBMFYSA-N 1 2 366.377 3.204 20 5 FGBDLO Cn1c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccc(Cl)cc21 ZINC000446845863 501172661 /nfs/dbraw/zinc/17/26/61/501172661.db2.gz RZZOQGYONLKWSV-UHFFFAOYSA-N 1 2 370.800 3.301 20 5 FGBDLO CCc1cc(NC[C@@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450723062 501194170 /nfs/dbraw/zinc/19/41/70/501194170.db2.gz BOAGSXCXEIVMMG-HNNXBMFYSA-N 1 2 368.437 3.265 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436869678 501224747 /nfs/dbraw/zinc/22/47/47/501224747.db2.gz KDTHLUNVNAHFCE-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436869678 501224748 /nfs/dbraw/zinc/22/47/48/501224748.db2.gz KDTHLUNVNAHFCE-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO CCC[C@]1(COC)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451230749 501253735 /nfs/dbraw/zinc/25/37/35/501253735.db2.gz RGCQELOVDSGCAO-LJQANCHMSA-N 1 2 372.425 3.202 20 5 FGBDLO Cc1c([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cccc1[N+](=O)[O-] ZINC000453309292 501312529 /nfs/dbraw/zinc/31/25/29/501312529.db2.gz PKHQGCRDQAHUCI-SNVBAGLBSA-N 1 2 353.220 3.250 20 5 FGBDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546837 501318915 /nfs/dbraw/zinc/31/89/15/501318915.db2.gz KAFDHFQOGOUNEP-ZFWWWQNUSA-N 1 2 358.398 3.098 20 5 FGBDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546837 501318917 /nfs/dbraw/zinc/31/89/17/501318917.db2.gz KAFDHFQOGOUNEP-ZFWWWQNUSA-N 1 2 358.398 3.098 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568588 501326666 /nfs/dbraw/zinc/32/66/66/501326666.db2.gz MVUGXZNOTBLPJT-LBPRGKRZSA-N 1 2 365.231 3.080 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568588 501326667 /nfs/dbraw/zinc/32/66/67/501326667.db2.gz MVUGXZNOTBLPJT-LBPRGKRZSA-N 1 2 365.231 3.080 20 5 FGBDLO CCOc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(F)cc1OC ZINC000598963227 506248210 /nfs/dbraw/zinc/24/82/10/506248210.db2.gz LUDLMYUSADRXSN-UHFFFAOYSA-N 1 2 364.373 3.440 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000451818103 501379239 /nfs/dbraw/zinc/37/92/39/501379239.db2.gz VQDKYVYWJHVQFM-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000451818103 501379241 /nfs/dbraw/zinc/37/92/41/501379241.db2.gz VQDKYVYWJHVQFM-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451843023 501384186 /nfs/dbraw/zinc/38/41/86/501384186.db2.gz FUJRXAAMZYERFD-SFHVURJKSA-N 1 2 355.394 3.378 20 5 FGBDLO CN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451843023 501384189 /nfs/dbraw/zinc/38/41/89/501384189.db2.gz FUJRXAAMZYERFD-SFHVURJKSA-N 1 2 355.394 3.378 20 5 FGBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451861825 501387861 /nfs/dbraw/zinc/38/78/61/501387861.db2.gz VBNABDAJHQEQNY-IBGZPJMESA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451861825 501387865 /nfs/dbraw/zinc/38/78/65/501387865.db2.gz VBNABDAJHQEQNY-IBGZPJMESA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(NC[C@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452300072 501473622 /nfs/dbraw/zinc/47/36/22/501473622.db2.gz KFKXHADWLABVFV-CYBMUJFWSA-N 1 2 364.352 3.336 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CSc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000452454042 501504043 /nfs/dbraw/zinc/50/40/43/501504043.db2.gz SDLGLKQBHLLGCG-OAHLLOKOSA-N 1 2 360.439 3.030 20 5 FGBDLO Cc1cc(C)c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH+]1 ZINC000459085082 501591136 /nfs/dbraw/zinc/59/11/36/501591136.db2.gz VEQQEHNIGZVPCI-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454767843 501625560 /nfs/dbraw/zinc/62/55/60/501625560.db2.gz IDNVEODQCIECJL-NSHDSACASA-N 1 2 365.821 3.068 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457285832 501676209 /nfs/dbraw/zinc/67/62/09/501676209.db2.gz GZCZDDSXMBHDDC-SNVBAGLBSA-N 1 2 366.468 3.232 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904915 501848924 /nfs/dbraw/zinc/84/89/24/501848924.db2.gz BHFGEFWJNCSVAE-HWPZZCPQSA-N 1 2 372.368 3.204 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904915 501848928 /nfs/dbraw/zinc/84/89/28/501848928.db2.gz BHFGEFWJNCSVAE-HWPZZCPQSA-N 1 2 372.368 3.204 20 5 FGBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602733968 506278863 /nfs/dbraw/zinc/27/88/63/506278863.db2.gz DUHCJHVUPCEKHQ-QGZVFWFLSA-N 1 2 374.466 3.209 20 5 FGBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602733968 506278872 /nfs/dbraw/zinc/27/88/72/506278872.db2.gz DUHCJHVUPCEKHQ-QGZVFWFLSA-N 1 2 374.466 3.209 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000471173559 501945911 /nfs/dbraw/zinc/94/59/11/501945911.db2.gz QDCUDRFTPVFJBD-UHFFFAOYSA-N 1 2 359.401 3.073 20 5 FGBDLO CCc1cc(NCc2ccn3cc[nH+]c3c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474780251 501950887 /nfs/dbraw/zinc/95/08/87/501950887.db2.gz KLAJSIHVTHNMGY-UHFFFAOYSA-N 1 2 374.404 3.296 20 5 FGBDLO O=[N+]([O-])c1cc(CNc2cc(NCC3CC3)[nH+]cn2)cc(C(F)(F)F)c1 ZINC000486000639 502014979 /nfs/dbraw/zinc/01/49/79/502014979.db2.gz IPSXMNQOFYQSEP-UHFFFAOYSA-N 1 2 367.331 3.260 20 5 FGBDLO O=[N+]([O-])c1cc(CNc2cc(NCC3CC3)nc[nH+]2)cc(C(F)(F)F)c1 ZINC000486000639 502014984 /nfs/dbraw/zinc/01/49/84/502014984.db2.gz IPSXMNQOFYQSEP-UHFFFAOYSA-N 1 2 367.331 3.260 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000596173243 506293095 /nfs/dbraw/zinc/29/30/95/506293095.db2.gz SEKCZBDEPOSPID-LLVKDONJSA-N 1 2 363.215 3.443 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]1Cc1ccccc1 ZINC000472175241 502259239 /nfs/dbraw/zinc/25/92/39/502259239.db2.gz RMVBTBHVNAPCIM-QGZVFWFLSA-N 1 2 362.389 3.238 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000599084450 506316353 /nfs/dbraw/zinc/31/63/53/506316353.db2.gz XTYKXSHHFLWYDE-FXAWDEMLSA-N 1 2 367.380 3.447 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1Oc1cc[nH+]cc1 ZINC000487704690 502509915 /nfs/dbraw/zinc/50/99/15/502509915.db2.gz DDGWIBWPVGVSRU-UHFFFAOYSA-N 1 2 353.338 3.076 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000484005295 502547737 /nfs/dbraw/zinc/54/77/37/502547737.db2.gz OEPZVRQXOMDNJD-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000484005295 502547742 /nfs/dbraw/zinc/54/77/42/502547742.db2.gz OEPZVRQXOMDNJD-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO CNc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000462754606 502558582 /nfs/dbraw/zinc/55/85/82/502558582.db2.gz IIVDOHZXBVZJHN-UHFFFAOYSA-N 1 2 371.441 3.166 20 5 FGBDLO CC[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000462957292 502643045 /nfs/dbraw/zinc/64/30/45/502643045.db2.gz JOIUNBXNRAQBSK-LJQANCHMSA-N 1 2 368.437 3.090 20 5 FGBDLO CC[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000462957292 502643049 /nfs/dbraw/zinc/64/30/49/502643049.db2.gz JOIUNBXNRAQBSK-LJQANCHMSA-N 1 2 368.437 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000463088898 502689791 /nfs/dbraw/zinc/68/97/91/502689791.db2.gz OLLIJGGNCLJSND-CYBMUJFWSA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000463088898 502689796 /nfs/dbraw/zinc/68/97/96/502689796.db2.gz OLLIJGGNCLJSND-CYBMUJFWSA-N 1 2 367.331 3.090 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000463425940 502796211 /nfs/dbraw/zinc/79/62/11/502796211.db2.gz LPQUGROEYMPFNI-UHFFFAOYSA-N 1 2 358.369 3.496 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000463425940 502796212 /nfs/dbraw/zinc/79/62/12/502796212.db2.gz LPQUGROEYMPFNI-UHFFFAOYSA-N 1 2 358.369 3.496 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488753255 502802891 /nfs/dbraw/zinc/80/28/91/502802891.db2.gz MPARBRBYNBQSAB-UHFFFAOYSA-N 1 2 372.425 3.215 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)cc1 ZINC000593013250 506335243 /nfs/dbraw/zinc/33/52/43/506335243.db2.gz KWMIFOSXHLSPDF-UHFFFAOYSA-N 1 2 356.426 3.171 20 5 FGBDLO CSC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000488946689 502844786 /nfs/dbraw/zinc/84/47/86/502844786.db2.gz SMLXQLJXRWPCIV-INIZCTEOSA-N 1 2 365.499 3.006 20 5 FGBDLO COc1ccccc1CN1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000513421706 502934030 /nfs/dbraw/zinc/93/40/30/502934030.db2.gz YHZCSQNSMDQTAA-UHFFFAOYSA-N 1 2 355.438 3.230 20 5 FGBDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2C1 ZINC000505570808 502937541 /nfs/dbraw/zinc/93/75/41/502937541.db2.gz PSACQUPDOZUQJQ-CQSZACIVSA-N 1 2 372.494 3.498 20 5 FGBDLO COCC[N@H+](Cc1scnc1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489484116 502969687 /nfs/dbraw/zinc/96/96/87/502969687.db2.gz PUUGQTRCAJABNW-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489484116 502969691 /nfs/dbraw/zinc/96/96/91/502969691.db2.gz PUUGQTRCAJABNW-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905915 506344714 /nfs/dbraw/zinc/34/47/14/506344714.db2.gz WATUXPVSKYSVKX-UHFFFAOYSA-N 1 2 372.400 3.255 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000505799933 502988693 /nfs/dbraw/zinc/98/86/93/502988693.db2.gz XWPIAZHCDDOYGR-UHFFFAOYSA-N 1 2 374.466 3.488 20 5 FGBDLO COc1cc(C)c(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000509943091 503016390 /nfs/dbraw/zinc/01/63/90/503016390.db2.gz ILXYBBQIDDVUJH-UHFFFAOYSA-N 1 2 370.409 3.429 20 5 FGBDLO COc1cc(C)c(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000509943091 503016391 /nfs/dbraw/zinc/01/63/91/503016391.db2.gz ILXYBBQIDDVUJH-UHFFFAOYSA-N 1 2 370.409 3.429 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000514082453 503082367 /nfs/dbraw/zinc/08/23/67/503082367.db2.gz GXSWZOSSHHWRQD-SFHVURJKSA-N 1 2 352.394 3.216 20 5 FGBDLO COc1cccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514085766 503083172 /nfs/dbraw/zinc/08/31/72/503083172.db2.gz XJUCUTTXHCJBCC-SFHVURJKSA-N 1 2 352.394 3.216 20 5 FGBDLO COc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000490001956 503087405 /nfs/dbraw/zinc/08/74/05/503087405.db2.gz CXHFLMSNXHDKPA-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000490001956 503087407 /nfs/dbraw/zinc/08/74/07/503087407.db2.gz CXHFLMSNXHDKPA-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cn2c1 ZINC000498162173 503121318 /nfs/dbraw/zinc/12/13/18/503121318.db2.gz JCRGNFLQOMTNCK-UHFFFAOYSA-N 1 2 361.361 3.029 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CCc2ccccc2)no1 ZINC000511109604 503257740 /nfs/dbraw/zinc/25/77/40/503257740.db2.gz SNRRCXSIPPJCOB-UHFFFAOYSA-N 1 2 366.421 3.438 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CCc2ccccc2)no1 ZINC000511109604 503257742 /nfs/dbraw/zinc/25/77/42/503257742.db2.gz SNRRCXSIPPJCOB-UHFFFAOYSA-N 1 2 366.421 3.438 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCCCO3)CCO2 ZINC000515260797 503304164 /nfs/dbraw/zinc/30/41/64/503304164.db2.gz XCJRMQZENFZMHW-UHFFFAOYSA-N 1 2 356.378 3.151 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCCCO3)CCO2 ZINC000515260797 503304169 /nfs/dbraw/zinc/30/41/69/503304169.db2.gz XCJRMQZENFZMHW-UHFFFAOYSA-N 1 2 356.378 3.151 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649176 503362113 /nfs/dbraw/zinc/36/21/13/503362113.db2.gz PAXNGDLXDUGAOI-GXSJLCMTSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649176 503362114 /nfs/dbraw/zinc/36/21/14/503362114.db2.gz PAXNGDLXDUGAOI-GXSJLCMTSA-N 1 2 352.740 3.241 20 5 FGBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000492355511 503365969 /nfs/dbraw/zinc/36/59/69/503365969.db2.gz HOVBRTSAWXXLJS-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000492355511 503365973 /nfs/dbraw/zinc/36/59/73/503365973.db2.gz HOVBRTSAWXXLJS-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000492374714 503367388 /nfs/dbraw/zinc/36/73/88/503367388.db2.gz IBTBKXRALGKSLG-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO Cc1cc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492827644 503387511 /nfs/dbraw/zinc/38/75/11/503387511.db2.gz HQEHCLYEAQTLAB-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO Cc1nc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511871311 503404625 /nfs/dbraw/zinc/40/46/25/503404625.db2.gz DVRTYARJXNTZFU-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000493279126 503417342 /nfs/dbraw/zinc/41/73/42/503417342.db2.gz HFXMEGHPWJAILP-HNNXBMFYSA-N 1 2 372.425 3.085 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602988604 506373554 /nfs/dbraw/zinc/37/35/54/506373554.db2.gz PUTONWYHIRKTJY-JOYOIKCWSA-N 1 2 372.265 3.216 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602988604 506373559 /nfs/dbraw/zinc/37/35/59/506373559.db2.gz PUTONWYHIRKTJY-JOYOIKCWSA-N 1 2 372.265 3.216 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000508779512 503563257 /nfs/dbraw/zinc/56/32/57/503563257.db2.gz QKAGKKZFOLFQAG-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000593077526 506379475 /nfs/dbraw/zinc/37/94/75/506379475.db2.gz RTCOFRMPGFBHEV-MLGOLLRUSA-N 1 2 372.425 3.262 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500264117 503591665 /nfs/dbraw/zinc/59/16/65/503591665.db2.gz YLUYTGVWZFZVKF-INIZCTEOSA-N 1 2 373.796 3.012 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500264117 503591668 /nfs/dbraw/zinc/59/16/68/503591668.db2.gz YLUYTGVWZFZVKF-INIZCTEOSA-N 1 2 373.796 3.012 20 5 FGBDLO COc1ccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c2n1 ZINC000546225649 503678642 /nfs/dbraw/zinc/67/86/42/503678642.db2.gz UGNLTBRXNHHIRO-UHFFFAOYSA-N 1 2 355.398 3.285 20 5 FGBDLO COc1ccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c2n1 ZINC000546225649 503678649 /nfs/dbraw/zinc/67/86/49/503678649.db2.gz UGNLTBRXNHHIRO-UHFFFAOYSA-N 1 2 355.398 3.285 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000546564795 503790786 /nfs/dbraw/zinc/79/07/86/503790786.db2.gz ZNWSAGASXKTNRO-UHFFFAOYSA-N 1 2 370.384 3.284 20 5 FGBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000546735711 503859310 /nfs/dbraw/zinc/85/93/10/503859310.db2.gz OTIACIXHJBKWLX-INIZCTEOSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000546735711 503859318 /nfs/dbraw/zinc/85/93/18/503859318.db2.gz OTIACIXHJBKWLX-INIZCTEOSA-N 1 2 360.410 3.481 20 5 FGBDLO Cc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000546808577 503885240 /nfs/dbraw/zinc/88/52/40/503885240.db2.gz DSRSWCQAFUAJCU-UHFFFAOYSA-N 1 2 353.382 3.373 20 5 FGBDLO CNc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000547323857 504062020 /nfs/dbraw/zinc/06/20/20/504062020.db2.gz ATOFHKXKGJLWQO-ZDUSSCGKSA-N 1 2 374.466 3.217 20 5 FGBDLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541728470 504234555 /nfs/dbraw/zinc/23/45/55/504234555.db2.gz SVXGTVQLSXQNGO-CYBMUJFWSA-N 1 2 368.368 3.340 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000541774554 504250093 /nfs/dbraw/zinc/25/00/93/504250093.db2.gz IWKJKUAHIHUBKP-UHFFFAOYSA-N 1 2 367.449 3.424 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541784717 504253908 /nfs/dbraw/zinc/25/39/08/504253908.db2.gz GVMCQHZSHBXCQI-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO CCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538523910 504273612 /nfs/dbraw/zinc/27/36/12/504273612.db2.gz SIIPMKNHILTUAM-KRWDZBQOSA-N 1 2 352.398 3.202 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542629314 504558591 /nfs/dbraw/zinc/55/85/91/504558591.db2.gz ZIDDYKCAKXTZAD-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542629314 504558597 /nfs/dbraw/zinc/55/85/97/504558597.db2.gz ZIDDYKCAKXTZAD-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO Cc1cccn2cc(Cc3noc(COc4cccc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000545678701 504560504 /nfs/dbraw/zinc/56/05/04/504560504.db2.gz YKYDQGKVPGYKFV-UHFFFAOYSA-N 1 2 365.349 3.104 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000542863090 504638971 /nfs/dbraw/zinc/63/89/71/504638971.db2.gz ATCRCRFUVPYNMO-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000542944790 504668040 /nfs/dbraw/zinc/66/80/40/504668040.db2.gz ASWZISUUPWMSAL-ZDUSSCGKSA-N 1 2 356.378 3.244 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000542944790 504668045 /nfs/dbraw/zinc/66/80/45/504668045.db2.gz ASWZISUUPWMSAL-ZDUSSCGKSA-N 1 2 356.378 3.244 20 5 FGBDLO Cc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000543095002 504722950 /nfs/dbraw/zinc/72/29/50/504722950.db2.gz GVUGIFNNXNAVKX-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCCC3)cc2C)n1 ZINC000552868601 504778694 /nfs/dbraw/zinc/77/86/94/504778694.db2.gz ZCPYONITYHWMOO-UHFFFAOYSA-N 1 2 356.382 3.429 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000553230929 504858380 /nfs/dbraw/zinc/85/83/80/504858380.db2.gz JQZYPZVHZQUSHQ-CYBMUJFWSA-N 1 2 370.240 3.128 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000553273895 504871091 /nfs/dbraw/zinc/87/10/91/504871091.db2.gz CCDCTTMRLICPPS-CHWSQXEVSA-N 1 2 360.389 3.355 20 5 FGBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549845613 504915529 /nfs/dbraw/zinc/91/55/29/504915529.db2.gz OQOLWBHOYDKSKH-CQSZACIVSA-N 1 2 371.359 3.200 20 5 FGBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549845613 504915531 /nfs/dbraw/zinc/91/55/31/504915531.db2.gz OQOLWBHOYDKSKH-CQSZACIVSA-N 1 2 371.359 3.200 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549998527 504948878 /nfs/dbraw/zinc/94/88/78/504948878.db2.gz FPEUXMMZHQMIHK-GOEBONIOSA-N 1 2 374.359 3.384 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549998527 504948881 /nfs/dbraw/zinc/94/88/81/504948881.db2.gz FPEUXMMZHQMIHK-GOEBONIOSA-N 1 2 374.359 3.384 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000553794311 505012877 /nfs/dbraw/zinc/01/28/77/505012877.db2.gz YFOJBJJZPLQUSF-UHFFFAOYSA-N 1 2 366.377 3.497 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000554786233 505264488 /nfs/dbraw/zinc/26/44/88/505264488.db2.gz REEWCJSLIPLCBB-UHFFFAOYSA-N 1 2 366.381 3.120 20 5 FGBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000552035292 505376988 /nfs/dbraw/zinc/37/69/88/505376988.db2.gz SFSKKHLKDHLEAN-JOCQHMNTSA-N 1 2 358.373 3.282 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000561578678 505382264 /nfs/dbraw/zinc/38/22/64/505382264.db2.gz RSMHMAHTRDNVFO-KRWDZBQOSA-N 1 2 371.441 3.102 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000567312411 505424376 /nfs/dbraw/zinc/42/43/76/505424376.db2.gz QNNCILLRHUJIJG-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000567312411 505424380 /nfs/dbraw/zinc/42/43/80/505424380.db2.gz QNNCILLRHUJIJG-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO CC1(C2CC2)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000567319214 505426307 /nfs/dbraw/zinc/42/63/07/505426307.db2.gz SKZXISSLGIWNNE-UHFFFAOYSA-N 1 2 359.470 3.444 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552249667 505440881 /nfs/dbraw/zinc/44/08/81/505440881.db2.gz HHOBZPVASNXUTM-IBGZPJMESA-N 1 2 366.421 3.224 20 5 FGBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C2CC2)c(OC)c1 ZINC000558747759 505481883 /nfs/dbraw/zinc/48/18/83/505481883.db2.gz KXHIUWZINPKDQU-CYBMUJFWSA-N 1 2 374.441 3.146 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C2CC2)c(OC)c1 ZINC000558747759 505481884 /nfs/dbraw/zinc/48/18/84/505481884.db2.gz KXHIUWZINPKDQU-CYBMUJFWSA-N 1 2 374.441 3.146 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000567514893 505485713 /nfs/dbraw/zinc/48/57/13/505485713.db2.gz RMXZZXVQSSBFCQ-ZDUSSCGKSA-N 1 2 368.315 3.228 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000559037761 505555641 /nfs/dbraw/zinc/55/56/41/505555641.db2.gz VQHBDJBPLUHCRW-UHFFFAOYSA-N 1 2 367.858 3.333 20 5 FGBDLO Cc1ccc2sc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)nc2c1 ZINC000599437275 506456582 /nfs/dbraw/zinc/45/65/82/506456582.db2.gz MSMPEZPYIVKZLB-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO O=C1C[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576917 506507797 /nfs/dbraw/zinc/50/77/97/506507797.db2.gz XYLZIDDTHJEZPE-HXUWFJFHSA-N 1 2 368.389 3.300 20 5 FGBDLO O=C1C[C@@]2(CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576917 506507803 /nfs/dbraw/zinc/50/78/03/506507803.db2.gz XYLZIDDTHJEZPE-HXUWFJFHSA-N 1 2 368.389 3.300 20 5 FGBDLO Cc1cc(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)ccc1[N+](=O)[O-] ZINC000593297328 506521464 /nfs/dbraw/zinc/52/14/64/506521464.db2.gz ZMXPMPGPDQQUTM-UHFFFAOYSA-N 1 2 353.382 3.001 20 5 FGBDLO CSc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000604197303 506746749 /nfs/dbraw/zinc/74/67/49/506746749.db2.gz IVMPCZYPRSWHJV-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000583532275 506830980 /nfs/dbraw/zinc/83/09/80/506830980.db2.gz UIUFSMCANCTKQT-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604437922 506831853 /nfs/dbraw/zinc/83/18/53/506831853.db2.gz BQFINPINSFOTQX-ZDUSSCGKSA-N 1 2 351.366 3.009 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609312173 506846157 /nfs/dbraw/zinc/84/61/57/506846157.db2.gz IYQZPPXCEAVVRA-UHFFFAOYSA-N 1 2 356.378 3.166 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609312173 506846163 /nfs/dbraw/zinc/84/61/63/506846163.db2.gz IYQZPPXCEAVVRA-UHFFFAOYSA-N 1 2 356.378 3.166 20 5 FGBDLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609800459 507008000 /nfs/dbraw/zinc/00/80/00/507008000.db2.gz IEJGFOYGTWLCFO-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609800459 507008007 /nfs/dbraw/zinc/00/80/07/507008007.db2.gz IEJGFOYGTWLCFO-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO CN(CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000610289537 507180431 /nfs/dbraw/zinc/18/04/31/507180431.db2.gz IUZGIVFDVHUWAT-UHFFFAOYSA-N 1 2 351.366 3.060 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000584239745 507232588 /nfs/dbraw/zinc/23/25/88/507232588.db2.gz KUTKKMBHQGAAAU-UHFFFAOYSA-N 1 2 363.801 3.392 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595004247 507350351 /nfs/dbraw/zinc/35/03/51/507350351.db2.gz QLHOUKKWCMIVHD-CHWSQXEVSA-N 1 2 359.430 3.333 20 5 FGBDLO CCOC(=O)Cc1ccc(NCc2cn3ccc(C)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000591901484 507403567 /nfs/dbraw/zinc/40/35/67/507403567.db2.gz PDFCXMGAOCRRDQ-UHFFFAOYSA-N 1 2 368.393 3.269 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000595311672 507457962 /nfs/dbraw/zinc/45/79/62/507457962.db2.gz FJNPSLZPAMGHAO-INIZCTEOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000595311672 507457966 /nfs/dbraw/zinc/45/79/66/507457966.db2.gz FJNPSLZPAMGHAO-INIZCTEOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976447 507535391 /nfs/dbraw/zinc/53/53/91/507535391.db2.gz QFFVJKCXZSDTSB-ZWNOBZJWSA-N 1 2 368.340 3.062 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976447 507535396 /nfs/dbraw/zinc/53/53/96/507535396.db2.gz QFFVJKCXZSDTSB-ZWNOBZJWSA-N 1 2 368.340 3.062 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177103 507548983 /nfs/dbraw/zinc/54/89/83/507548983.db2.gz QDCCXMXHNGOPLB-RKDXNWHRSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177103 507548991 /nfs/dbraw/zinc/54/89/91/507548991.db2.gz QDCCXMXHNGOPLB-RKDXNWHRSA-N 1 2 365.739 3.459 20 5 FGBDLO CCNC(=O)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000611262345 507587913 /nfs/dbraw/zinc/58/79/13/507587913.db2.gz HGYCVRBIZBPDCY-UHFFFAOYSA-N 1 2 361.373 3.094 20 5 FGBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000611262345 507587922 /nfs/dbraw/zinc/58/79/22/507587922.db2.gz HGYCVRBIZBPDCY-UHFFFAOYSA-N 1 2 361.373 3.094 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627418 507599907 /nfs/dbraw/zinc/59/99/07/507599907.db2.gz YMXJRUGQRVRORW-XIKOKIGWSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627418 507599911 /nfs/dbraw/zinc/59/99/11/507599911.db2.gz YMXJRUGQRVRORW-XIKOKIGWSA-N 1 2 358.398 3.207 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000611445162 507684920 /nfs/dbraw/zinc/68/49/20/507684920.db2.gz KYAZGWSBJQWFLD-UHFFFAOYSA-N 1 2 358.467 3.252 20 5 FGBDLO C[C@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473619 507697687 /nfs/dbraw/zinc/69/76/87/507697687.db2.gz ZOLPRRPOICETFT-UWJYYQICSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473619 507697693 /nfs/dbraw/zinc/69/76/93/507697693.db2.gz ZOLPRRPOICETFT-UWJYYQICSA-N 1 2 369.465 3.273 20 5 FGBDLO O=[N+]([O-])c1sc(CN2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000602455436 507716300 /nfs/dbraw/zinc/71/63/00/507716300.db2.gz XPLKJJFIWXZXAN-UHFFFAOYSA-N 1 2 371.260 3.452 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000611560841 507739856 /nfs/dbraw/zinc/73/98/56/507739856.db2.gz LKXCZNKXVVOSCW-MRXNPFEDSA-N 1 2 357.801 3.256 20 5 FGBDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)s1 ZINC000595915411 507742984 /nfs/dbraw/zinc/74/29/84/507742984.db2.gz QRUXVCKVJCNZIR-LLVKDONJSA-N 1 2 367.452 3.279 20 5 FGBDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)s1 ZINC000595915411 507742987 /nfs/dbraw/zinc/74/29/87/507742987.db2.gz QRUXVCKVJCNZIR-LLVKDONJSA-N 1 2 367.452 3.279 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000051114338 695907605 /nfs/dbraw/zinc/90/76/05/695907605.db2.gz NOQYCFZDMRXNTD-SFHVURJKSA-N 1 2 361.829 3.104 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000177945849 705646663 /nfs/dbraw/zinc/64/66/63/705646663.db2.gz PKXZRODSBKQWET-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000177945849 705646668 /nfs/dbraw/zinc/64/66/68/705646668.db2.gz PKXZRODSBKQWET-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183901424 705909605 /nfs/dbraw/zinc/90/96/05/705909605.db2.gz BZONTHVTSFZDMH-AWEZNQCLSA-N 1 2 369.190 3.320 20 5 FGBDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000732567908 722486161 /nfs/dbraw/zinc/48/61/61/722486161.db2.gz LQSXTZOBIUPIOR-UHFFFAOYSA-N 1 2 370.475 3.011 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[NH+](C)C)cc1C ZINC000733868521 722501635 /nfs/dbraw/zinc/50/16/35/722501635.db2.gz KCRLDXKBCMSXMF-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000750059506 722753256 /nfs/dbraw/zinc/75/32/56/722753256.db2.gz JAIMOMVYRJZTLN-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000750059506 722753258 /nfs/dbraw/zinc/75/32/58/722753258.db2.gz JAIMOMVYRJZTLN-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000794630709 723536738 /nfs/dbraw/zinc/53/67/38/723536738.db2.gz HRSKIOJZZJQDCX-UHFFFAOYSA-N 1 2 363.439 3.212 20 5 FGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000794630709 723536739 /nfs/dbraw/zinc/53/67/39/723536739.db2.gz HRSKIOJZZJQDCX-UHFFFAOYSA-N 1 2 363.439 3.212 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796718067 723651719 /nfs/dbraw/zinc/65/17/19/723651719.db2.gz UEQBOAOPEGZCCD-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796718067 723651721 /nfs/dbraw/zinc/65/17/21/723651721.db2.gz UEQBOAOPEGZCCD-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000799194658 723997661 /nfs/dbraw/zinc/99/76/61/723997661.db2.gz IIHQKECJXCLOKD-GFCCVEGCSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000799194658 723997662 /nfs/dbraw/zinc/99/76/62/723997662.db2.gz IIHQKECJXCLOKD-GFCCVEGCSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(OCCCc1cscn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000799659008 724077363 /nfs/dbraw/zinc/07/73/63/724077363.db2.gz DCBIFXGPIZFIRH-UHFFFAOYSA-N 1 2 358.379 3.027 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519806 724309615 /nfs/dbraw/zinc/30/96/15/724309615.db2.gz XUDJHPSWZJGKFZ-CYBMUJFWSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519806 724309618 /nfs/dbraw/zinc/30/96/18/724309618.db2.gz XUDJHPSWZJGKFZ-CYBMUJFWSA-N 1 2 353.394 3.175 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(F)c1 ZINC000788843227 725091064 /nfs/dbraw/zinc/09/10/64/725091064.db2.gz MORJOSHSPFIEHV-AWEZNQCLSA-N 1 2 356.369 3.033 20 5 FGBDLO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940624 725277119 /nfs/dbraw/zinc/27/71/19/725277119.db2.gz NVNFOTCMKZDFIK-SNVBAGLBSA-N 1 2 360.241 3.379 20 5 FGBDLO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940624 725277121 /nfs/dbraw/zinc/27/71/21/725277121.db2.gz NVNFOTCMKZDFIK-SNVBAGLBSA-N 1 2 360.241 3.379 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000809954095 725278427 /nfs/dbraw/zinc/27/84/27/725278427.db2.gz UZVXJQBLGRSOBQ-UHFFFAOYSA-N 1 2 356.213 3.399 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000810037455 725283806 /nfs/dbraw/zinc/28/38/06/725283806.db2.gz OYYTUFQCERULJK-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000810037455 725283807 /nfs/dbraw/zinc/28/38/07/725283807.db2.gz OYYTUFQCERULJK-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO Cc1cc(Cl)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000825421411 729382734 /nfs/dbraw/zinc/38/27/34/729382734.db2.gz WFHLGSLRFIHDKV-UHFFFAOYSA-N 1 2 362.817 3.062 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000828487554 729443983 /nfs/dbraw/zinc/44/39/83/729443983.db2.gz GKBMMCXYGQNNQW-INIZCTEOSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000828487554 729443984 /nfs/dbraw/zinc/44/39/84/729443984.db2.gz GKBMMCXYGQNNQW-INIZCTEOSA-N 1 2 357.435 3.233 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000830594193 729574403 /nfs/dbraw/zinc/57/44/03/729574403.db2.gz POGYVHHNOVTNSU-LBPRGKRZSA-N 1 2 362.817 3.310 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000836340936 729952435 /nfs/dbraw/zinc/95/24/35/729952435.db2.gz QWUHKYSABAELNR-UHFFFAOYSA-N 1 2 362.817 3.062 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)n1 ZINC000844131427 730687438 /nfs/dbraw/zinc/68/74/38/730687438.db2.gz MPKOQARWVRPMTL-UHFFFAOYSA-N 1 2 363.443 3.187 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000852043237 731537410 /nfs/dbraw/zinc/53/74/10/731537410.db2.gz WQAJJWRLPDSFQD-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000866540561 733363184 /nfs/dbraw/zinc/36/31/84/733363184.db2.gz QPDOGPNKTSNSIH-HNNXBMFYSA-N 1 2 364.398 3.051 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065269 735583749 /nfs/dbraw/zinc/58/37/49/735583749.db2.gz WWTPVYQMCYCCDN-SECBINFHSA-N 1 2 358.416 3.050 20 5 FGBDLO Cn1ccc(-c2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cs2)n1 ZINC000878643179 736903330 /nfs/dbraw/zinc/90/33/30/736903330.db2.gz DBPNNHGWEDNZJX-UHFFFAOYSA-N 1 2 357.439 3.477 20 5 FGBDLO CCCn1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000902976505 743795009 /nfs/dbraw/zinc/79/50/09/743795009.db2.gz PPNNLXVSZIVIBX-SNVBAGLBSA-N 1 2 357.336 3.466 20 5 FGBDLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1O ZINC000930548588 760639046 /nfs/dbraw/zinc/63/90/46/760639046.db2.gz FEFSZBALCXWAJB-DZGCQCFKSA-N 1 2 352.387 3.158 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)ccc1Cl ZINC000932828098 761256603 /nfs/dbraw/zinc/25/66/03/761256603.db2.gz NNPPKZQIIVNKFS-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000108977386 209296122 /nfs/dbraw/zinc/29/61/22/209296122.db2.gz YNRYVSSFZDWHGV-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000108977386 209296124 /nfs/dbraw/zinc/29/61/24/209296124.db2.gz YNRYVSSFZDWHGV-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000031809484 208017529 /nfs/dbraw/zinc/01/75/29/208017529.db2.gz HIDOESYYXFIZPT-UHFFFAOYSA-N 1 2 367.321 3.249 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000302074451 257383660 /nfs/dbraw/zinc/38/36/60/257383660.db2.gz GLJMDOIHMMMDBD-UHFFFAOYSA-N 1 2 352.350 3.179 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)cn2c1 ZINC000571012900 505632548 /nfs/dbraw/zinc/63/25/48/505632548.db2.gz URDYXXOZWGWUBG-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000081091553 493830104 /nfs/dbraw/zinc/83/01/04/493830104.db2.gz DDQVWIFVEBQFLJ-UHFFFAOYSA-N 1 2 364.405 3.041 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000029618641 493847399 /nfs/dbraw/zinc/84/73/99/493847399.db2.gz URRVODVYTNSQKR-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1cc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000029843389 493861096 /nfs/dbraw/zinc/86/10/96/493861096.db2.gz OSIMAMHNVIEKEZ-UHFFFAOYSA-N 1 2 359.405 3.282 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051376796 493965611 /nfs/dbraw/zinc/96/56/11/493965611.db2.gz BOJFTRRAOFFAHM-UHFFFAOYSA-N 1 2 371.422 3.125 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000051508153 493973811 /nfs/dbraw/zinc/97/38/11/493973811.db2.gz AUHZGINDBNPXRB-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000051508153 493973815 /nfs/dbraw/zinc/97/38/15/493973815.db2.gz AUHZGINDBNPXRB-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032276649 493979751 /nfs/dbraw/zinc/97/97/51/493979751.db2.gz DPFCGKSKYDCIGH-UHFFFAOYSA-N 1 2 367.409 3.118 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032276649 493979755 /nfs/dbraw/zinc/97/97/55/493979755.db2.gz DPFCGKSKYDCIGH-UHFFFAOYSA-N 1 2 367.409 3.118 20 5 FGBDLO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589890 494043497 /nfs/dbraw/zinc/04/34/97/494043497.db2.gz GUAIYXFRDYFGLE-UHFFFAOYSA-N 1 2 371.437 3.130 20 5 FGBDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589890 494043501 /nfs/dbraw/zinc/04/35/01/494043501.db2.gz GUAIYXFRDYFGLE-UHFFFAOYSA-N 1 2 371.437 3.130 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803200 494063554 /nfs/dbraw/zinc/06/35/54/494063554.db2.gz QESRKQBQMGYQCL-OAHLLOKOSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803200 494063558 /nfs/dbraw/zinc/06/35/58/494063558.db2.gz QESRKQBQMGYQCL-OAHLLOKOSA-N 1 2 361.423 3.441 20 5 FGBDLO Cc1cccc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000065208826 494179033 /nfs/dbraw/zinc/17/90/33/494179033.db2.gz RNZATKYKCNPCSK-UHFFFAOYSA-N 1 2 355.438 3.100 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000054516348 494243502 /nfs/dbraw/zinc/24/35/02/494243502.db2.gz IRVIRZSUBCZDRG-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000072879152 494274770 /nfs/dbraw/zinc/27/47/70/494274770.db2.gz RBYMXCXNXNABDQ-UHFFFAOYSA-N 1 2 368.437 3.266 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000072879152 494274772 /nfs/dbraw/zinc/27/47/72/494274772.db2.gz RBYMXCXNXNABDQ-UHFFFAOYSA-N 1 2 368.437 3.266 20 5 FGBDLO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531171 494321750 /nfs/dbraw/zinc/32/17/50/494321750.db2.gz NIWDKTGKPIYHCJ-UHFFFAOYSA-N 1 2 355.350 3.361 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599545 494327200 /nfs/dbraw/zinc/32/72/00/494327200.db2.gz BLGJFERBAVZPMX-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599545 494327203 /nfs/dbraw/zinc/32/72/03/494327203.db2.gz BLGJFERBAVZPMX-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO Cn1c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2[nH+]c1C1CC1 ZINC000089870333 494386440 /nfs/dbraw/zinc/38/64/40/494386440.db2.gz MRBRNSVPZZRUMB-UHFFFAOYSA-N 1 2 366.377 3.376 20 5 FGBDLO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000016977750 494404835 /nfs/dbraw/zinc/40/48/35/494404835.db2.gz IYPBSURNFSZROD-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000045603389 494443942 /nfs/dbraw/zinc/44/39/42/494443942.db2.gz QWUXKEXFYWRXGQ-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079442997 494455679 /nfs/dbraw/zinc/45/56/79/494455679.db2.gz RMQFAQZOGIHCGU-UHFFFAOYSA-N 1 2 352.144 3.013 20 5 FGBDLO O=[N+]([O-])c1c(NCc2cccc(Cn3cc[nH+]c3)c2)nc2sccn21 ZINC000045956761 494479538 /nfs/dbraw/zinc/47/95/38/494479538.db2.gz JRAKSIRNMRDORT-UHFFFAOYSA-N 1 2 354.395 3.161 20 5 FGBDLO CC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090689760 494494216 /nfs/dbraw/zinc/49/42/16/494494216.db2.gz FBRSTQSRFMWGEN-ROUUACIJSA-N 1 2 370.409 3.304 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000021919853 494511573 /nfs/dbraw/zinc/51/15/73/494511573.db2.gz JFNAHZCQGNQFDQ-GFCCVEGCSA-N 1 2 361.373 3.202 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000021919853 494511575 /nfs/dbraw/zinc/51/15/75/494511575.db2.gz JFNAHZCQGNQFDQ-GFCCVEGCSA-N 1 2 361.373 3.202 20 5 FGBDLO CC(C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000079754109 494520142 /nfs/dbraw/zinc/52/01/42/494520142.db2.gz HRJPQHBPNHGJBE-UHFFFAOYSA-N 1 2 350.378 3.446 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000046617057 494542814 /nfs/dbraw/zinc/54/28/14/494542814.db2.gz POQPMEHWMVQPGL-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO CN(C)c1[nH+]cccc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000079901062 494546721 /nfs/dbraw/zinc/54/67/21/494546721.db2.gz OIHJNGYFQWGIJA-UHFFFAOYSA-N 1 2 351.204 3.430 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000067680687 494607622 /nfs/dbraw/zinc/60/76/22/494607622.db2.gz SBSOYLAWPGPKFW-UHFFFAOYSA-N 1 2 352.350 3.123 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000108466588 494713970 /nfs/dbraw/zinc/71/39/70/494713970.db2.gz JLWCXXNMESCNIZ-CQSZACIVSA-N 1 2 371.441 3.396 20 5 FGBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000126628112 494806097 /nfs/dbraw/zinc/80/60/97/494806097.db2.gz USVOLZVDCWWBAW-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000126628112 494806103 /nfs/dbraw/zinc/80/61/03/494806103.db2.gz USVOLZVDCWWBAW-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO COc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026616690 494832438 /nfs/dbraw/zinc/83/24/38/494832438.db2.gz IKJMTKMQWUPMNG-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126766872 494834546 /nfs/dbraw/zinc/83/45/46/494834546.db2.gz KYFPWWJQXZUIEL-LJQANCHMSA-N 1 2 358.394 3.143 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126766872 494834550 /nfs/dbraw/zinc/83/45/50/494834550.db2.gz KYFPWWJQXZUIEL-LJQANCHMSA-N 1 2 358.394 3.143 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026758933 494837025 /nfs/dbraw/zinc/83/70/25/494837025.db2.gz PAIBMHAVVRALQM-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121901902 494886020 /nfs/dbraw/zinc/88/60/20/494886020.db2.gz DBJAAHNBVRMKRO-IRXDYDNUSA-N 1 2 362.451 3.023 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121901902 494886025 /nfs/dbraw/zinc/88/60/25/494886025.db2.gz DBJAAHNBVRMKRO-IRXDYDNUSA-N 1 2 362.451 3.023 20 5 FGBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000122070081 494918828 /nfs/dbraw/zinc/91/88/28/494918828.db2.gz NMBMWSSTUQQSQF-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000122309630 494955348 /nfs/dbraw/zinc/95/53/48/494955348.db2.gz FICPJRGCHCVRAB-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000122309630 494955354 /nfs/dbraw/zinc/95/53/54/494955354.db2.gz FICPJRGCHCVRAB-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127771043 494995647 /nfs/dbraw/zinc/99/56/47/494995647.db2.gz CWRQKIWLPSQLGR-WFASDCNBSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127771043 494995650 /nfs/dbraw/zinc/99/56/50/494995650.db2.gz CWRQKIWLPSQLGR-WFASDCNBSA-N 1 2 367.377 3.110 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133793492 495063482 /nfs/dbraw/zinc/06/34/82/495063482.db2.gz BLXSQJIQFLDGGM-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133793492 495063483 /nfs/dbraw/zinc/06/34/83/495063483.db2.gz BLXSQJIQFLDGGM-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000119109078 495094974 /nfs/dbraw/zinc/09/49/74/495094974.db2.gz YRKHCUBJDWSQQK-HNNXBMFYSA-N 1 2 364.829 3.258 20 5 FGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000119109078 495094981 /nfs/dbraw/zinc/09/49/81/495094981.db2.gz YRKHCUBJDWSQQK-HNNXBMFYSA-N 1 2 364.829 3.258 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3c4ccccc4C[C@H]3O)cs2)c1 ZINC000119149918 495104538 /nfs/dbraw/zinc/10/45/38/495104538.db2.gz ISBSBDUODSKSLI-QZTJIDSGSA-N 1 2 367.430 3.466 20 5 FGBDLO Cc1cc(=O)n(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)cc1[N+](=O)[O-] ZINC000128682646 495134818 /nfs/dbraw/zinc/13/48/18/495134818.db2.gz GJUJYPSEJAGFEB-UHFFFAOYSA-N 1 2 353.165 3.068 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000129309409 495226856 /nfs/dbraw/zinc/22/68/56/495226856.db2.gz MJNPYWPOGHKZKA-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(Nc1cccc(OCCF)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124190244 495248621 /nfs/dbraw/zinc/24/86/21/495248621.db2.gz DBLCKPQVWKABNI-UHFFFAOYSA-N 1 2 370.340 3.381 20 5 FGBDLO COc1cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])cc1OC ZINC000103964558 495262305 /nfs/dbraw/zinc/26/23/05/495262305.db2.gz UNJJJXIDGLSORB-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO COc1cccc(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135226474 495265357 /nfs/dbraw/zinc/26/53/57/495265357.db2.gz AXYMWACCPLKVCW-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1cccc(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135226474 495265361 /nfs/dbraw/zinc/26/53/61/495265361.db2.gz AXYMWACCPLKVCW-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO Cc1cccc2nc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n12 ZINC000135231466 495266406 /nfs/dbraw/zinc/26/64/06/495266406.db2.gz MXIVRILZAUNVMT-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO Cc1cccc2nc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n12 ZINC000135231466 495266410 /nfs/dbraw/zinc/26/64/10/495266410.db2.gz MXIVRILZAUNVMT-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120070910 495301052 /nfs/dbraw/zinc/30/10/52/495301052.db2.gz COJYKFXNHLAGEG-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120074593 495302246 /nfs/dbraw/zinc/30/22/46/495302246.db2.gz AIKMNDGOBQISOR-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120074593 495302247 /nfs/dbraw/zinc/30/22/47/495302247.db2.gz AIKMNDGOBQISOR-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO Cc1c[nH+]c2cc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccn12 ZINC000574463516 505778975 /nfs/dbraw/zinc/77/89/75/505778975.db2.gz QNAMZPYPVRQTLR-UHFFFAOYSA-N 1 2 352.394 3.304 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000130609017 495418701 /nfs/dbraw/zinc/41/87/01/495418701.db2.gz JYJCAMRZTKIUIU-HNNXBMFYSA-N 1 2 368.397 3.322 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000130609017 495418704 /nfs/dbraw/zinc/41/87/04/495418704.db2.gz JYJCAMRZTKIUIU-HNNXBMFYSA-N 1 2 368.397 3.322 20 5 FGBDLO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000139790544 495483281 /nfs/dbraw/zinc/48/32/81/495483281.db2.gz MGSJNTDFLNOADU-UHFFFAOYSA-N 1 2 366.414 3.030 20 5 FGBDLO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000139790544 495483285 /nfs/dbraw/zinc/48/32/85/495483285.db2.gz MGSJNTDFLNOADU-UHFFFAOYSA-N 1 2 366.414 3.030 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141947417 495511996 /nfs/dbraw/zinc/51/19/96/495511996.db2.gz SPYVMQHTJOOECI-AWEZNQCLSA-N 1 2 374.466 3.269 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141947417 495512000 /nfs/dbraw/zinc/51/20/00/495512000.db2.gz SPYVMQHTJOOECI-AWEZNQCLSA-N 1 2 374.466 3.269 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580582250 505791017 /nfs/dbraw/zinc/79/10/17/505791017.db2.gz QGSPHMXOWQEYPB-GXTWGEPZSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580582250 505791019 /nfs/dbraw/zinc/79/10/19/505791019.db2.gz QGSPHMXOWQEYPB-GXTWGEPZSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185494823 495598664 /nfs/dbraw/zinc/59/86/64/495598664.db2.gz FOMWOCUSMJSMDC-IIYDPXPESA-N 1 2 360.389 3.144 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000170901540 495648076 /nfs/dbraw/zinc/64/80/76/495648076.db2.gz ZTDFNMJRMQIWAH-UHFFFAOYSA-N 1 2 359.451 3.393 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000170901540 495648082 /nfs/dbraw/zinc/64/80/82/495648082.db2.gz ZTDFNMJRMQIWAH-UHFFFAOYSA-N 1 2 359.451 3.393 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180069966 495843665 /nfs/dbraw/zinc/84/36/65/495843665.db2.gz VKXSGOVPGUHWRV-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180069966 495843669 /nfs/dbraw/zinc/84/36/69/495843669.db2.gz VKXSGOVPGUHWRV-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180071945 495845267 /nfs/dbraw/zinc/84/52/67/495845267.db2.gz SXDIQMCWGWSFJC-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180071945 495845273 /nfs/dbraw/zinc/84/52/73/495845273.db2.gz SXDIQMCWGWSFJC-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000183294497 495918276 /nfs/dbraw/zinc/91/82/76/495918276.db2.gz YKKBTKUYWPJKTO-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619210 495950397 /nfs/dbraw/zinc/95/03/97/495950397.db2.gz UYKHFFREYPNXIX-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619210 495950403 /nfs/dbraw/zinc/95/04/03/495950403.db2.gz UYKHFFREYPNXIX-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618551 495951669 /nfs/dbraw/zinc/95/16/69/495951669.db2.gz TVXGHZJNGGXDKD-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618551 495951678 /nfs/dbraw/zinc/95/16/78/495951678.db2.gz TVXGHZJNGGXDKD-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO O=C(c1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000180410161 495985439 /nfs/dbraw/zinc/98/54/39/495985439.db2.gz YOXWZNDQISNPEH-UHFFFAOYSA-N 1 2 369.425 3.140 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc([N+](=O)[O-])c1 ZINC000180454385 496002467 /nfs/dbraw/zinc/00/24/67/496002467.db2.gz JBMDAEQBONHDPU-NSHDSACASA-N 1 2 368.349 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cs1 ZINC000186591346 496060256 /nfs/dbraw/zinc/06/02/56/496060256.db2.gz PABMMXXZKIAGKF-UHFFFAOYSA-N 1 2 350.415 3.365 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156064220 496148117 /nfs/dbraw/zinc/14/81/17/496148117.db2.gz IQNSWZBDGYYHOM-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152596441 496197838 /nfs/dbraw/zinc/19/78/38/496197838.db2.gz UNIIJXFWSNFYMU-UHFFFAOYSA-N 1 2 365.393 3.160 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCC1 ZINC000175070823 496235956 /nfs/dbraw/zinc/23/59/56/496235956.db2.gz DUKABJIBIRARQF-UHFFFAOYSA-N 1 2 368.315 3.338 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000177966693 496269637 /nfs/dbraw/zinc/26/96/37/496269637.db2.gz AHASDOVKCSPHFR-CYBMUJFWSA-N 1 2 353.382 3.111 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cc2ccccc2o1 ZINC000175197020 496287796 /nfs/dbraw/zinc/28/77/96/496287796.db2.gz ZQGZLFSLCBTLPT-UHFFFAOYSA-N 1 2 365.389 3.362 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cc2ccccc2o1 ZINC000175197020 496287803 /nfs/dbraw/zinc/28/78/03/496287803.db2.gz ZQGZLFSLCBTLPT-UHFFFAOYSA-N 1 2 365.389 3.362 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184387058 496362979 /nfs/dbraw/zinc/36/29/79/496362979.db2.gz OLHRTOPVIQPEPE-CQSZACIVSA-N 1 2 359.451 3.104 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000580800593 505840718 /nfs/dbraw/zinc/84/07/18/505840718.db2.gz MTSARSQFCCYUTA-LJQANCHMSA-N 1 2 360.410 3.085 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000181435000 496393648 /nfs/dbraw/zinc/39/36/48/496393648.db2.gz RBMUSJUPDRPYAM-CYBMUJFWSA-N 1 2 362.455 3.358 20 5 FGBDLO COC(=O)c1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc([N+](=O)[O-])c1 ZINC000162699808 496400163 /nfs/dbraw/zinc/40/01/63/496400163.db2.gz VCIKSNYNGBECRO-UHFFFAOYSA-N 1 2 366.333 3.024 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H](c1ccccc1)C1CC1 ZINC000153307554 496415948 /nfs/dbraw/zinc/41/59/48/496415948.db2.gz GPTCGJRPYHTAAR-OAQYLSRUSA-N 1 2 365.433 3.220 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H](c1ccccc1)C1CC1 ZINC000153307554 496415954 /nfs/dbraw/zinc/41/59/54/496415954.db2.gz GPTCGJRPYHTAAR-OAQYLSRUSA-N 1 2 365.433 3.220 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153362313 496430924 /nfs/dbraw/zinc/43/09/24/496430924.db2.gz MSSUXPULPIFHON-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153362313 496430927 /nfs/dbraw/zinc/43/09/27/496430927.db2.gz MSSUXPULPIFHON-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000178440411 496457692 /nfs/dbraw/zinc/45/76/92/496457692.db2.gz YMRGDPODHNVGHE-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000181684277 496501441 /nfs/dbraw/zinc/50/14/41/496501441.db2.gz HLOXFWSSXHPEOT-MRXNPFEDSA-N 1 2 354.366 3.122 20 5 FGBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCn2c[nH+]cc2C1 ZINC000571935782 505849505 /nfs/dbraw/zinc/84/95/05/505849505.db2.gz PYLBCEGNWWNMMI-UHFFFAOYSA-N 1 2 374.198 3.122 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173090310 496545432 /nfs/dbraw/zinc/54/54/32/496545432.db2.gz PXQNWROZDCEVBP-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO NC(=O)c1coc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000187729342 496549236 /nfs/dbraw/zinc/54/92/36/496549236.db2.gz OGJUPPISBYYFKH-GOSISDBHSA-N 1 2 351.362 3.166 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163854691 496565332 /nfs/dbraw/zinc/56/53/32/496565332.db2.gz FKORXKOVWCOVDN-UHFFFAOYSA-N 1 2 369.425 3.166 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178884467 496605170 /nfs/dbraw/zinc/60/51/70/496605170.db2.gz VRZZMRUYKHYBGF-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000158004197 496606708 /nfs/dbraw/zinc/60/67/08/496606708.db2.gz RYVSNVOGMBGBGE-HNNXBMFYSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2cccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000158004197 496606714 /nfs/dbraw/zinc/60/67/14/496606714.db2.gz RYVSNVOGMBGBGE-HNNXBMFYSA-N 1 2 361.423 3.058 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000569128578 505858733 /nfs/dbraw/zinc/85/87/33/505858733.db2.gz INQXDILBVIUMCA-CYBMUJFWSA-N 1 2 358.398 3.184 20 5 FGBDLO C[C@H]1CCCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000154132839 496692723 /nfs/dbraw/zinc/69/27/23/496692723.db2.gz KFPGAGVMQGIGIW-AWEZNQCLSA-N 1 2 353.426 3.184 20 5 FGBDLO C[C@H]1CCCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000154132839 496692728 /nfs/dbraw/zinc/69/27/28/496692728.db2.gz KFPGAGVMQGIGIW-AWEZNQCLSA-N 1 2 353.426 3.184 20 5 FGBDLO Cc1cc2[nH+]cn(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000182188942 496701600 /nfs/dbraw/zinc/70/16/00/496701600.db2.gz PMYUHCHUPRBGCQ-UHFFFAOYSA-N 1 2 359.407 3.035 20 5 FGBDLO Cc1nnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1C1CC1 ZINC000273311056 496771666 /nfs/dbraw/zinc/77/16/66/496771666.db2.gz NPCQSJSXBAAKRJ-UHFFFAOYSA-N 1 2 365.397 3.207 20 5 FGBDLO Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000273315075 496772318 /nfs/dbraw/zinc/77/23/18/496772318.db2.gz JFSNXTUZYWHSOZ-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000247800446 496916297 /nfs/dbraw/zinc/91/62/97/496916297.db2.gz UVSQVQCJNCIBJH-DLBZAZTESA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000247800446 496916303 /nfs/dbraw/zinc/91/63/03/496916303.db2.gz UVSQVQCJNCIBJH-DLBZAZTESA-N 1 2 361.348 3.048 20 5 FGBDLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189134675 497018958 /nfs/dbraw/zinc/01/89/58/497018958.db2.gz HRCDLOSIJUHYKR-INIZCTEOSA-N 1 2 367.833 3.078 20 5 FGBDLO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265029041 497033713 /nfs/dbraw/zinc/03/37/13/497033713.db2.gz IECBFFSTKRNTRX-OLZOCXBDSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265029041 497033716 /nfs/dbraw/zinc/03/37/16/497033716.db2.gz IECBFFSTKRNTRX-OLZOCXBDSA-N 1 2 369.849 3.324 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000278198250 497035446 /nfs/dbraw/zinc/03/54/46/497035446.db2.gz WGFYXZKJLTVGPB-BLLLJJGKSA-N 1 2 369.381 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000278198250 497035453 /nfs/dbraw/zinc/03/54/53/497035453.db2.gz WGFYXZKJLTVGPB-BLLLJJGKSA-N 1 2 369.381 3.052 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000248639745 497068090 /nfs/dbraw/zinc/06/80/90/497068090.db2.gz XRLBDZFAXYEZEV-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000248639745 497068092 /nfs/dbraw/zinc/06/80/92/497068092.db2.gz XRLBDZFAXYEZEV-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653119 497072654 /nfs/dbraw/zinc/07/26/54/497072654.db2.gz UMOWANWVZQTBMI-WPGHFRTFSA-N 1 2 366.389 3.049 20 5 FGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653119 497072657 /nfs/dbraw/zinc/07/26/57/497072657.db2.gz UMOWANWVZQTBMI-WPGHFRTFSA-N 1 2 366.389 3.049 20 5 FGBDLO Cc1c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000278949554 497278188 /nfs/dbraw/zinc/27/81/88/497278188.db2.gz MEOJUCHZOLIGOT-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000279216325 497370497 /nfs/dbraw/zinc/37/04/97/497370497.db2.gz OJJHUDBEPWTHMV-GOSISDBHSA-N 1 2 368.437 3.113 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255769655 497375049 /nfs/dbraw/zinc/37/50/49/497375049.db2.gz HNJBXSSVFJXKLC-HYXAFXHYSA-N 1 2 369.396 3.205 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190166866 497383596 /nfs/dbraw/zinc/38/35/96/497383596.db2.gz FZOAOTHOKGATKT-ZDUSSCGKSA-N 1 2 359.348 3.444 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190166866 497383598 /nfs/dbraw/zinc/38/35/98/497383598.db2.gz FZOAOTHOKGATKT-ZDUSSCGKSA-N 1 2 359.348 3.444 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000279296364 497397580 /nfs/dbraw/zinc/39/75/80/497397580.db2.gz ZIDHTCHERXHFFC-SFHVURJKSA-N 1 2 368.437 3.113 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000193574226 497417371 /nfs/dbraw/zinc/41/73/71/497417371.db2.gz WYZYGCHQZKKQLF-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279531600 497465088 /nfs/dbraw/zinc/46/50/88/497465088.db2.gz NDGGAFBCKSVLEP-UHFFFAOYSA-N 1 2 368.437 3.076 20 5 FGBDLO Cc1cc(N[C@H](C)c2nnc3n2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272322432 497595123 /nfs/dbraw/zinc/59/51/23/497595123.db2.gz UFTAWRWAQQDEGP-GFCCVEGCSA-N 1 2 365.397 3.071 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000194383207 497650421 /nfs/dbraw/zinc/65/04/21/497650421.db2.gz BFEOUKQVZMRYLL-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000268054954 497669668 /nfs/dbraw/zinc/66/96/68/497669668.db2.gz RJNTWNOZEFRIKZ-CYBMUJFWSA-N 1 2 357.414 3.277 20 5 FGBDLO CCOc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276885020 497678930 /nfs/dbraw/zinc/67/89/30/497678930.db2.gz JJUHQLHKSDAJAY-VWLOTQADSA-N 1 2 362.451 3.363 20 5 FGBDLO CCOc1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276885020 497678934 /nfs/dbraw/zinc/67/89/34/497678934.db2.gz JJUHQLHKSDAJAY-VWLOTQADSA-N 1 2 362.451 3.363 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268251732 497712773 /nfs/dbraw/zinc/71/27/73/497712773.db2.gz OYGSTEGHZTYIBJ-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268251732 497712778 /nfs/dbraw/zinc/71/27/78/497712778.db2.gz OYGSTEGHZTYIBJ-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000280712667 497867523 /nfs/dbraw/zinc/86/75/23/497867523.db2.gz BKFANAFSNPSGOX-UHFFFAOYSA-N 1 2 359.426 3.162 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000280712667 497867530 /nfs/dbraw/zinc/86/75/30/497867530.db2.gz BKFANAFSNPSGOX-UHFFFAOYSA-N 1 2 359.426 3.162 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000295968348 497871284 /nfs/dbraw/zinc/87/12/84/497871284.db2.gz SFFGWBGNCRWGIV-HNNXBMFYSA-N 1 2 354.366 3.298 20 5 FGBDLO C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000364458160 497967568 /nfs/dbraw/zinc/96/75/68/497967568.db2.gz GFAHZUKYHSDBIF-GWCFXTLKSA-N 1 2 355.320 3.293 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000281014361 497987843 /nfs/dbraw/zinc/98/78/43/497987843.db2.gz NTCFJJWLJWBLKZ-QGZVFWFLSA-N 1 2 371.441 3.001 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000292737617 498128097 /nfs/dbraw/zinc/12/80/97/498128097.db2.gz ULVKKGLPOQITEX-UHFFFAOYSA-N 1 2 366.215 3.394 20 5 FGBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)S1 ZINC000301588283 498176144 /nfs/dbraw/zinc/17/61/44/498176144.db2.gz WNPGFYGWMAUBAF-UHFFFAOYSA-N 1 2 371.466 3.146 20 5 FGBDLO CCOC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301589776 498176673 /nfs/dbraw/zinc/17/66/73/498176673.db2.gz SPHOMDJJZRXQRM-UHFFFAOYSA-N 1 2 370.409 3.247 20 5 FGBDLO Cc1cc(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)cc(C)[nH+]1 ZINC000572542217 505993317 /nfs/dbraw/zinc/99/33/17/505993317.db2.gz XETQGNJAHVVLFL-UHFFFAOYSA-N 1 2 360.389 3.194 20 5 FGBDLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301718859 498237163 /nfs/dbraw/zinc/23/71/63/498237163.db2.gz OYPYPMUYRGYIQK-UHFFFAOYSA-N 1 2 357.385 3.259 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1O ZINC000365059398 498277699 /nfs/dbraw/zinc/27/76/99/498277699.db2.gz XKCICSJIKLGYNB-MRXNPFEDSA-N 1 2 374.397 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1O ZINC000365059398 498277703 /nfs/dbraw/zinc/27/77/03/498277703.db2.gz XKCICSJIKLGYNB-MRXNPFEDSA-N 1 2 374.397 3.056 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858165 498297184 /nfs/dbraw/zinc/29/71/84/498297184.db2.gz CSXZXKOSMBTMLB-DOTOQJQBSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858165 498297188 /nfs/dbraw/zinc/29/71/88/498297188.db2.gz CSXZXKOSMBTMLB-DOTOQJQBSA-N 1 2 362.817 3.127 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293542033 498408630 /nfs/dbraw/zinc/40/86/30/498408630.db2.gz YCTYIXJPWFRDPD-SNVBAGLBSA-N 1 2 366.805 3.258 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293542033 498408634 /nfs/dbraw/zinc/40/86/34/498408634.db2.gz YCTYIXJPWFRDPD-SNVBAGLBSA-N 1 2 366.805 3.258 20 5 FGBDLO Cc1cc(N(C)[C@@H](C)C(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302468764 498489436 /nfs/dbraw/zinc/48/94/36/498489436.db2.gz PQVXDWQYZBORIQ-ZDUSSCGKSA-N 1 2 371.441 3.100 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297595710 498505497 /nfs/dbraw/zinc/50/54/97/498505497.db2.gz NCAGLSYPFQITTK-GRDNDAEWSA-N 1 2 357.414 3.145 20 5 FGBDLO CCCc1nc(C)c(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000293848484 498509860 /nfs/dbraw/zinc/50/98/60/498509860.db2.gz XDQQAQJDWKAASP-SFHVURJKSA-N 1 2 369.425 3.456 20 5 FGBDLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520688 498510216 /nfs/dbraw/zinc/51/02/16/498510216.db2.gz ZCCVJGHTCYALQQ-UHFFFAOYSA-N 1 2 372.404 3.137 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1N1CCC[N@H+](Cc3cscn3)CC1)CCCC2 ZINC000569922225 506047573 /nfs/dbraw/zinc/04/75/73/506047573.db2.gz CTOJNTQZHLXNFC-UHFFFAOYSA-N 1 2 373.482 3.037 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1N1CCC[N@@H+](Cc3cscn3)CC1)CCCC2 ZINC000569922225 506047576 /nfs/dbraw/zinc/04/75/76/506047576.db2.gz CTOJNTQZHLXNFC-UHFFFAOYSA-N 1 2 373.482 3.037 20 5 FGBDLO COc1cc(Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000572884964 506074967 /nfs/dbraw/zinc/07/49/67/506074967.db2.gz DGOGZJRDKRPPFX-GOSISDBHSA-N 1 2 368.393 3.228 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000290957272 498736948 /nfs/dbraw/zinc/73/69/48/498736948.db2.gz VWMOJGMQXNSGOL-QMMMGPOBSA-N 1 2 356.213 3.290 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000288218290 498970488 /nfs/dbraw/zinc/97/04/88/498970488.db2.gz VFCSDFQEZOJDCK-AWEZNQCLSA-N 1 2 358.377 3.194 20 5 FGBDLO Cc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c(N)c([N+](=O)[O-])c1 ZINC000366589872 498992664 /nfs/dbraw/zinc/99/26/64/498992664.db2.gz UUCQAZPZUVNTFZ-UHFFFAOYSA-N 1 2 351.366 3.436 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000299232456 499000334 /nfs/dbraw/zinc/00/03/34/499000334.db2.gz QLPGJFCVFPVMIQ-LIRRHRJNSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](c2ccccc2)O1 ZINC000299232456 499000342 /nfs/dbraw/zinc/00/03/42/499000342.db2.gz QLPGJFCVFPVMIQ-LIRRHRJNSA-N 1 2 370.405 3.423 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000364042570 499096883 /nfs/dbraw/zinc/09/68/83/499096883.db2.gz ORIUONTVOQPAGN-IAGOWNOFSA-N 1 2 370.453 3.362 20 5 FGBDLO CCc1cc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000367442177 499199436 /nfs/dbraw/zinc/19/94/36/499199436.db2.gz DYZLIMKRFJVCEJ-MRXNPFEDSA-N 1 2 364.833 3.484 20 5 FGBDLO CSc1ccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000370955384 499274338 /nfs/dbraw/zinc/27/43/38/499274338.db2.gz ZEDFNGAKEOCDGC-ZDUSSCGKSA-N 1 2 360.439 3.129 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)c1 ZINC000369333117 499392379 /nfs/dbraw/zinc/39/23/79/499392379.db2.gz ZVIGFADMBPDXPL-CQSZACIVSA-N 1 2 351.366 3.424 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752910 499486454 /nfs/dbraw/zinc/48/64/54/499486454.db2.gz ZMSLJRYUIFEUIU-QAPCUYQASA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752910 499486455 /nfs/dbraw/zinc/48/64/55/499486455.db2.gz ZMSLJRYUIFEUIU-QAPCUYQASA-N 1 2 370.405 3.425 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375726148 499548989 /nfs/dbraw/zinc/54/89/89/499548989.db2.gz HAIBAOOFWBMPFE-MRXNPFEDSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375726148 499548990 /nfs/dbraw/zinc/54/89/90/499548990.db2.gz HAIBAOOFWBMPFE-MRXNPFEDSA-N 1 2 353.382 3.283 20 5 FGBDLO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000408102360 499576464 /nfs/dbraw/zinc/57/64/64/499576464.db2.gz FGTFQBCRURKEHZ-IINYFYTJSA-N 1 2 360.241 3.059 20 5 FGBDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563399 499810103 /nfs/dbraw/zinc/81/01/03/499810103.db2.gz BRKKFHMKYIQMMY-DIFFPNOSSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563399 499810105 /nfs/dbraw/zinc/81/01/05/499810105.db2.gz BRKKFHMKYIQMMY-DIFFPNOSSA-N 1 2 366.801 3.090 20 5 FGBDLO Cc1cnc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000413169487 499922018 /nfs/dbraw/zinc/92/20/18/499922018.db2.gz KZIKADQXBNIBDH-UHFFFAOYSA-N 1 2 355.423 3.235 20 5 FGBDLO CC(C)(C[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)C(N)=O ZINC000413310297 499940282 /nfs/dbraw/zinc/94/02/82/499940282.db2.gz GWYQCBJVQQOXJV-ZDUSSCGKSA-N 1 2 356.426 3.261 20 5 FGBDLO Cn1c[nH+]c(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000413383390 499947456 /nfs/dbraw/zinc/94/74/56/499947456.db2.gz NMESBHZJEPHMJS-UHFFFAOYSA-N 1 2 365.262 3.032 20 5 FGBDLO COc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000421181093 499985306 /nfs/dbraw/zinc/98/53/06/499985306.db2.gz IUEGPZLCGFVGCM-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO Cn1cc[nH+]c1[C@H](N[C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417341351 500044678 /nfs/dbraw/zinc/04/46/78/500044678.db2.gz BMKCAOQUVSBKNV-RBUKOAKNSA-N 1 2 364.405 3.279 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000425412596 500097033 /nfs/dbraw/zinc/09/70/33/500097033.db2.gz FVNDJQBNWNCPNW-TZMCWYRMSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000425412596 500097035 /nfs/dbraw/zinc/09/70/35/500097035.db2.gz FVNDJQBNWNCPNW-TZMCWYRMSA-N 1 2 373.272 3.064 20 5 FGBDLO COc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c([N+](=O)[O-])cc1O ZINC000430017402 500181466 /nfs/dbraw/zinc/18/14/66/500181466.db2.gz ABJSOZIQIVHHRV-UHFFFAOYSA-N 1 2 360.263 3.155 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000430238691 500213725 /nfs/dbraw/zinc/21/37/25/500213725.db2.gz ILPMIMCRZDNYMF-OAHLLOKOSA-N 1 2 361.373 3.181 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000430238691 500213727 /nfs/dbraw/zinc/21/37/27/500213727.db2.gz ILPMIMCRZDNYMF-OAHLLOKOSA-N 1 2 361.373 3.181 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426378843 500266853 /nfs/dbraw/zinc/26/68/53/500266853.db2.gz NGZFDOOXWULJMK-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426378843 500266856 /nfs/dbraw/zinc/26/68/56/500266856.db2.gz NGZFDOOXWULJMK-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428453908 500512074 /nfs/dbraw/zinc/51/20/74/500512074.db2.gz CHBZTFCVFAQPJE-LLVKDONJSA-N 1 2 363.801 3.171 20 5 FGBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428453908 500512077 /nfs/dbraw/zinc/51/20/77/500512077.db2.gz CHBZTFCVFAQPJE-LLVKDONJSA-N 1 2 363.801 3.171 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Oc4ncccc4F)CC3)nc2c1 ZINC000447365892 500596439 /nfs/dbraw/zinc/59/64/39/500596439.db2.gz ILVFJCWFKRNCOR-UHFFFAOYSA-N 1 2 371.372 3.049 20 5 FGBDLO CC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCS1 ZINC000447807177 500666769 /nfs/dbraw/zinc/66/67/69/500666769.db2.gz QHGFJWCWLIUIAD-UHFFFAOYSA-N 1 2 365.499 3.149 20 5 FGBDLO CCCC(O)(CCC)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447819115 500669854 /nfs/dbraw/zinc/66/98/54/500669854.db2.gz XBAILNXDTMFUDS-UHFFFAOYSA-N 1 2 365.474 3.170 20 5 FGBDLO NC(=O)c1cccc(NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000439094831 500855495 /nfs/dbraw/zinc/85/54/95/500855495.db2.gz CVDBPFYIIHEDKJ-UHFFFAOYSA-N 1 2 369.425 3.081 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444659174 500874357 /nfs/dbraw/zinc/87/43/57/500874357.db2.gz CKRGJRXZFIJRLL-UHFFFAOYSA-N 1 2 352.394 3.428 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444659174 500874359 /nfs/dbraw/zinc/87/43/59/500874359.db2.gz CKRGJRXZFIJRLL-UHFFFAOYSA-N 1 2 352.394 3.428 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](n4ncc5ccccc54)C3)nc2c1 ZINC000444689574 500879570 /nfs/dbraw/zinc/87/95/70/500879570.db2.gz OIFRXMOBOBHZJC-HNNXBMFYSA-N 1 2 362.393 3.268 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](n4ncc5ccccc54)C3)nc2c1 ZINC000444689574 500879573 /nfs/dbraw/zinc/87/95/73/500879573.db2.gz OIFRXMOBOBHZJC-HNNXBMFYSA-N 1 2 362.393 3.268 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592745197 506226254 /nfs/dbraw/zinc/22/62/54/506226254.db2.gz ANCBKNAFZNUBIK-UHFFFAOYSA-N 1 2 352.394 3.140 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004792 500931725 /nfs/dbraw/zinc/93/17/25/500931725.db2.gz PJZWRKGWNPCISY-UHFFFAOYSA-N 1 2 372.428 3.308 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000439899988 500952802 /nfs/dbraw/zinc/95/28/02/500952802.db2.gz KTAXXPVJZHKIRO-UHFFFAOYSA-N 1 2 361.402 3.168 20 5 FGBDLO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000449361554 500986725 /nfs/dbraw/zinc/98/67/25/500986725.db2.gz KYQCEKQMSGZUFY-JTQLQIEISA-N 1 2 370.137 3.333 20 5 FGBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000445661468 501016483 /nfs/dbraw/zinc/01/64/83/501016483.db2.gz GRVSFOKHUCKRBW-UHFFFAOYSA-N 1 2 352.354 3.494 20 5 FGBDLO CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450445437 501123396 /nfs/dbraw/zinc/12/33/96/501123396.db2.gz GMMRKAAYVQJWRP-JKSUJKDBSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000449968439 501140220 /nfs/dbraw/zinc/14/02/20/501140220.db2.gz YGVQXEUHIYGCDS-CYBMUJFWSA-N 1 2 368.393 3.433 20 5 FGBDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596064195 506236604 /nfs/dbraw/zinc/23/66/04/506236604.db2.gz CYEFMRHIERJDCF-AWEZNQCLSA-N 1 2 366.364 3.025 20 5 FGBDLO COc1ccc2nc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2c1 ZINC000446858312 501174737 /nfs/dbraw/zinc/17/47/37/501174737.db2.gz ZQIGGKQVMVVTPG-UHFFFAOYSA-N 1 2 369.406 3.379 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450835924 501215878 /nfs/dbraw/zinc/21/58/78/501215878.db2.gz XXWHMISNYURMAS-CQSZACIVSA-N 1 2 367.409 3.380 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451259037 501255819 /nfs/dbraw/zinc/25/58/19/501255819.db2.gz HKVLUTIEJLIXJI-KXBFYZLASA-N 1 2 371.368 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451259037 501255820 /nfs/dbraw/zinc/25/58/20/501255820.db2.gz HKVLUTIEJLIXJI-KXBFYZLASA-N 1 2 371.368 3.036 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451334295 501268160 /nfs/dbraw/zinc/26/81/60/501268160.db2.gz SMJPEHRJJBXFPQ-ZYHUDNBSSA-N 1 2 368.315 3.193 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456335568 501501770 /nfs/dbraw/zinc/50/17/70/501501770.db2.gz AGCJUHSEDUNZCY-SECBINFHSA-N 1 2 356.304 3.321 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2[nH+]ccn21 ZINC000456398631 501517718 /nfs/dbraw/zinc/51/77/18/501517718.db2.gz CLQVXMGLEGFGRZ-QPUJVOFHSA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1cc(C)c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH+]1 ZINC000459085002 501591162 /nfs/dbraw/zinc/59/11/62/501591162.db2.gz UZTAAZLLIKBLBF-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO C[C@]12CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456981498 501629636 /nfs/dbraw/zinc/62/96/36/501629636.db2.gz MKRONUVZWAQQLM-LLKNDRQVSA-N 1 2 366.421 3.289 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000459490935 501663101 /nfs/dbraw/zinc/66/31/01/501663101.db2.gz CEHHRSCBFPQPAQ-UHFFFAOYSA-N 1 2 362.430 3.043 20 5 FGBDLO CC(C)O[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000464357924 501966579 /nfs/dbraw/zinc/96/65/79/501966579.db2.gz UIFKFRBVFCGMDZ-IRXDYDNUSA-N 1 2 372.425 3.102 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC000599042333 506290484 /nfs/dbraw/zinc/29/04/84/506290484.db2.gz CKMLOIDZCPRCDX-UHFFFAOYSA-N 1 2 372.322 3.165 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464726948 502075167 /nfs/dbraw/zinc/07/51/67/502075167.db2.gz UHQDKRIDMRGDKM-UHFFFAOYSA-N 1 2 366.421 3.480 20 5 FGBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475204020 502098027 /nfs/dbraw/zinc/09/80/27/502098027.db2.gz IOWTWSKWHULLHJ-UHFFFAOYSA-N 1 2 369.303 3.242 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(Nc3ccc(N4CCCCC4)[nH+]c3)n2)cc1 ZINC000486453168 502158503 /nfs/dbraw/zinc/15/85/03/502158503.db2.gz TURDHGDLBMELBX-UHFFFAOYSA-N 1 2 366.381 3.196 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2[nH+]ccn2c1 ZINC000486726411 502244290 /nfs/dbraw/zinc/24/42/90/502244290.db2.gz CUDHQATZGXWXMA-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCOC1CCCC1 ZINC000472369973 502332560 /nfs/dbraw/zinc/33/25/60/502332560.db2.gz TXIFGOXRIQONLI-UHFFFAOYSA-N 1 2 363.458 3.188 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000476573210 502530970 /nfs/dbraw/zinc/53/09/70/502530970.db2.gz YATPOBZXIXEZMX-JTQLQIEISA-N 1 2 374.347 3.409 20 5 FGBDLO COC(=O)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1C ZINC000462956539 502640846 /nfs/dbraw/zinc/64/08/46/502640846.db2.gz MUYXLZOVFKYTOK-UHFFFAOYSA-N 1 2 357.410 3.193 20 5 FGBDLO COC(=O)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1C ZINC000462956539 502640849 /nfs/dbraw/zinc/64/08/49/502640849.db2.gz MUYXLZOVFKYTOK-UHFFFAOYSA-N 1 2 357.410 3.193 20 5 FGBDLO O=C(c1ccccc1)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000488152309 502641365 /nfs/dbraw/zinc/64/13/65/502641365.db2.gz SSKRCAHXUBJAPS-UHFFFAOYSA-N 1 2 371.462 3.287 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470111940 502664244 /nfs/dbraw/zinc/66/42/44/502664244.db2.gz BXNKEQSKMBSBSW-UHFFFAOYSA-N 1 2 363.736 3.357 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477105271 502678482 /nfs/dbraw/zinc/67/84/82/502678482.db2.gz CPNASZOFUGMPLS-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000473764808 502700948 /nfs/dbraw/zinc/70/09/48/502700948.db2.gz OAZVNVIIVVLVNQ-UHFFFAOYSA-N 1 2 372.400 3.392 20 5 FGBDLO COC(=O)Cc1cc[nH+]c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000596253748 506330018 /nfs/dbraw/zinc/33/00/18/506330018.db2.gz DIEFAQGORGZZCB-MRXNPFEDSA-N 1 2 355.394 3.089 20 5 FGBDLO Cc1cc(N[C@@H](CO)CC2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509526111 502926255 /nfs/dbraw/zinc/92/62/55/502926255.db2.gz QBZKUUBPPCTYJO-MRXNPFEDSA-N 1 2 356.426 3.135 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000602903206 506344312 /nfs/dbraw/zinc/34/43/12/506344312.db2.gz MSEHWCXVLZBBGN-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000602903206 506344316 /nfs/dbraw/zinc/34/43/16/506344316.db2.gz MSEHWCXVLZBBGN-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000509766625 502982833 /nfs/dbraw/zinc/98/28/33/502982833.db2.gz LLOWDMNYUNWIFH-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000497722310 503024902 /nfs/dbraw/zinc/02/49/02/503024902.db2.gz BHYWLOYIHPSSCO-UHFFFAOYSA-N 1 2 364.405 3.375 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000489782677 503033595 /nfs/dbraw/zinc/03/35/95/503033595.db2.gz JWEBJBSKJJNBKL-GDBMZVCRSA-N 1 2 372.425 3.058 20 5 FGBDLO Cc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000513843229 503034754 /nfs/dbraw/zinc/03/47/54/503034754.db2.gz VYHNYPNMSQHWNT-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO COCc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000514084295 503083490 /nfs/dbraw/zinc/08/34/90/503083490.db2.gz PHSDWOYGINMJKZ-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO CCOCCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506434947 503114554 /nfs/dbraw/zinc/11/45/54/503114554.db2.gz YKIPSJKNYMMOGQ-UHFFFAOYSA-N 1 2 359.426 3.009 20 5 FGBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498141162 503116373 /nfs/dbraw/zinc/11/63/73/503116373.db2.gz VKGVCYGILJUXMP-QGZVFWFLSA-N 1 2 354.391 3.130 20 5 FGBDLO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000510513686 503129945 /nfs/dbraw/zinc/12/99/45/503129945.db2.gz SPBICXJZCWVFFM-FZKQIMNGSA-N 1 2 357.410 3.030 20 5 FGBDLO Cc1ccc(Sc2ccc(C[NH2+]Cc3cn(C)nn3)cc2[N+](=O)[O-])cc1 ZINC000611930396 506365271 /nfs/dbraw/zinc/36/52/71/506365271.db2.gz ACYXYRILQIUAEG-UHFFFAOYSA-N 1 2 369.450 3.473 20 5 FGBDLO Cc1ccc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000492626734 503377930 /nfs/dbraw/zinc/37/79/30/503377930.db2.gz IZGPFAFHRMAZSC-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492726478 503382584 /nfs/dbraw/zinc/38/25/84/503382584.db2.gz CBKNACPIJCGMDB-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000492835332 503387101 /nfs/dbraw/zinc/38/71/01/503387101.db2.gz SWTVECYLPIGCCK-INIZCTEOSA-N 1 2 355.438 3.488 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2[nH+]1 ZINC000493056108 503404297 /nfs/dbraw/zinc/40/42/97/503404297.db2.gz PYFRWEREEWQNFL-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000493279127 503417172 /nfs/dbraw/zinc/41/71/72/503417172.db2.gz HFXMEGHPWJAILP-OAHLLOKOSA-N 1 2 372.425 3.085 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000508560683 503519999 /nfs/dbraw/zinc/51/99/99/503519999.db2.gz LVOKKUILDNDDDM-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000508560683 503520001 /nfs/dbraw/zinc/52/00/01/503520001.db2.gz LVOKKUILDNDDDM-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO O=[N+]([O-])c1cccc2ncnc(NC3CCN(c4cccc[nH+]4)CC3)c21 ZINC000509041855 503628452 /nfs/dbraw/zinc/62/84/52/503628452.db2.gz SLYNIOPCZNDZKH-UHFFFAOYSA-N 1 2 350.382 3.014 20 5 FGBDLO Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000543207564 503679445 /nfs/dbraw/zinc/67/94/45/503679445.db2.gz AFPOHDLTMRXTKP-LSDHHAIUSA-N 1 2 356.426 3.399 20 5 FGBDLO COC1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000543490771 503793575 /nfs/dbraw/zinc/79/35/75/503793575.db2.gz PSFBKJMFLMDJIC-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccn3)n2)cc1 ZINC000533347854 503815011 /nfs/dbraw/zinc/81/50/11/503815011.db2.gz UIYZSECBCMHRLA-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccn3)n2)cc1 ZINC000533347854 503815013 /nfs/dbraw/zinc/81/50/13/503815013.db2.gz UIYZSECBCMHRLA-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO COc1ccccc1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544608311 504190196 /nfs/dbraw/zinc/19/01/96/504190196.db2.gz TVZKOJJAHZFTDU-UHFFFAOYSA-N 1 2 355.438 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(Cl)c1 ZINC000542052933 504351226 /nfs/dbraw/zinc/35/12/26/504351226.db2.gz USOVCUPBSBWKRM-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000548585127 504486029 /nfs/dbraw/zinc/48/60/29/504486029.db2.gz BJCULZHPSXBLIF-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000548958476 504635630 /nfs/dbraw/zinc/63/56/30/504635630.db2.gz UFKQOVUCGLLBEK-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000532512540 504677485 /nfs/dbraw/zinc/67/74/85/504677485.db2.gz DEOOMUVHRXITIX-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000532512540 504677490 /nfs/dbraw/zinc/67/74/90/504677490.db2.gz DEOOMUVHRXITIX-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532573637 504695601 /nfs/dbraw/zinc/69/56/01/504695601.db2.gz IQYWNSRFSOCUPA-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532573637 504695606 /nfs/dbraw/zinc/69/56/06/504695606.db2.gz IQYWNSRFSOCUPA-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccs1 ZINC000532893764 504771955 /nfs/dbraw/zinc/77/19/55/504771955.db2.gz XOSWFNSIJCKFOO-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccs1 ZINC000532893764 504771956 /nfs/dbraw/zinc/77/19/56/504771956.db2.gz XOSWFNSIJCKFOO-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000559186065 504798424 /nfs/dbraw/zinc/79/84/24/504798424.db2.gz DEFFQTOFZOPZLS-ZDUSSCGKSA-N 1 2 372.299 3.022 20 5 FGBDLO COCC1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000549581457 504854490 /nfs/dbraw/zinc/85/44/90/504854490.db2.gz SLTZNNXBJCSPIW-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000549686980 504873453 /nfs/dbraw/zinc/87/34/53/504873453.db2.gz HNCPQZHOYOKISP-WMZOPIPTSA-N 1 2 363.364 3.114 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000554367583 505156131 /nfs/dbraw/zinc/15/61/31/505156131.db2.gz WCMIXDHJHSEZQQ-UHFFFAOYSA-N 1 2 361.423 3.429 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000564208628 505353646 /nfs/dbraw/zinc/35/36/46/505353646.db2.gz MXVUIMKCLNWSNH-QGZVFWFLSA-N 1 2 352.456 3.090 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000564208628 505353649 /nfs/dbraw/zinc/35/36/49/505353649.db2.gz MXVUIMKCLNWSNH-QGZVFWFLSA-N 1 2 352.456 3.090 20 5 FGBDLO COc1cc(C[N@@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OC ZINC000558413111 505381893 /nfs/dbraw/zinc/38/18/93/505381893.db2.gz BQOXUIKRANDEKY-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO COc1cc(C[N@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OC ZINC000558413111 505381895 /nfs/dbraw/zinc/38/18/95/505381895.db2.gz BQOXUIKRANDEKY-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccs2)CC1 ZINC000552501492 505504454 /nfs/dbraw/zinc/50/44/54/505504454.db2.gz BYGWRAYWGXDQEL-UHFFFAOYSA-N 1 2 362.455 3.161 20 5 FGBDLO CC(C)n1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC000564775385 505516314 /nfs/dbraw/zinc/51/63/14/505516314.db2.gz JRBZJJVYYNZULZ-CYBMUJFWSA-N 1 2 368.397 3.049 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)c1)O[C@H](C)C2 ZINC000589521573 506577836 /nfs/dbraw/zinc/57/78/36/506577836.db2.gz JWGMTVBESYBEHS-CYBMUJFWSA-N 1 2 370.405 3.321 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)c1)O[C@H](C)C2 ZINC000589521573 506577839 /nfs/dbraw/zinc/57/78/39/506577839.db2.gz JWGMTVBESYBEHS-CYBMUJFWSA-N 1 2 370.405 3.321 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)oc1C ZINC000593461167 506632479 /nfs/dbraw/zinc/63/24/79/506632479.db2.gz IPDUQYKFQCWOAI-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CCOC(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000600112147 506782272 /nfs/dbraw/zinc/78/22/72/506782272.db2.gz OXJYTFLFKXRCPS-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000600112147 506782277 /nfs/dbraw/zinc/78/22/77/506782277.db2.gz OXJYTFLFKXRCPS-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccncc1 ZINC000590370076 506805079 /nfs/dbraw/zinc/80/50/79/506805079.db2.gz USSAKMGUWBVEKA-SFHVURJKSA-N 1 2 355.394 3.439 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccncc1 ZINC000590370076 506805085 /nfs/dbraw/zinc/80/50/85/506805085.db2.gz USSAKMGUWBVEKA-SFHVURJKSA-N 1 2 355.394 3.439 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234410 506822462 /nfs/dbraw/zinc/82/24/62/506822462.db2.gz ROPUJUYPSVZATE-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234410 506822463 /nfs/dbraw/zinc/82/24/63/506822463.db2.gz ROPUJUYPSVZATE-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604435885 506832322 /nfs/dbraw/zinc/83/23/22/506832322.db2.gz NRIUNWLSBIHWAO-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604435885 506832328 /nfs/dbraw/zinc/83/23/28/506832328.db2.gz NRIUNWLSBIHWAO-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484250 506844831 /nfs/dbraw/zinc/84/48/31/506844831.db2.gz ISTJWZANFOZLHW-MRXNPFEDSA-N 1 2 355.394 3.384 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484250 506844836 /nfs/dbraw/zinc/84/48/36/506844836.db2.gz ISTJWZANFOZLHW-MRXNPFEDSA-N 1 2 355.394 3.384 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000590575818 506866698 /nfs/dbraw/zinc/86/66/98/506866698.db2.gz VFUUFRFAUIFDQK-UHFFFAOYSA-N 1 2 364.789 3.073 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCCO1 ZINC000590677660 506904123 /nfs/dbraw/zinc/90/41/23/506904123.db2.gz SSWKALHKHOOASS-KRWDZBQOSA-N 1 2 372.425 3.106 20 5 FGBDLO O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594206895 507008609 /nfs/dbraw/zinc/00/86/09/507008609.db2.gz SGNSNCFXVYUVBM-OAHLLOKOSA-N 1 2 370.409 3.002 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000597941442 507189957 /nfs/dbraw/zinc/18/99/57/507189957.db2.gz PUOLFVXTRVMFDC-CQSZACIVSA-N 1 2 354.410 3.010 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601160132 507282774 /nfs/dbraw/zinc/28/27/74/507282774.db2.gz SWHJLUDSXLCURR-SNVBAGLBSA-N 1 2 372.351 3.295 20 5 FGBDLO COC(=O)c1c(Cl)c(NCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000601197497 507293198 /nfs/dbraw/zinc/29/31/98/507293198.db2.gz BRQJGJDDSIBAQX-UHFFFAOYSA-N 1 2 352.778 3.079 20 5 FGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)c1 ZINC000601241090 507308493 /nfs/dbraw/zinc/30/84/93/507308493.db2.gz XBHIWOSEGVKRQB-UHFFFAOYSA-N 1 2 365.846 3.204 20 5 FGBDLO Cc1cc(NCCCc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000584374545 507310904 /nfs/dbraw/zinc/31/09/04/507310904.db2.gz KIDDGMLUDGLRPJ-UHFFFAOYSA-N 1 2 355.423 3.283 20 5 FGBDLO CCn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nn1 ZINC000594971379 507338524 /nfs/dbraw/zinc/33/85/24/507338524.db2.gz HCQHANZXHNVOHK-UHFFFAOYSA-N 1 2 361.789 3.409 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000595004248 507351027 /nfs/dbraw/zinc/35/10/27/507351027.db2.gz QLHOUKKWCMIVHD-OLZOCXBDSA-N 1 2 359.430 3.333 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000591851263 507392274 /nfs/dbraw/zinc/39/22/74/507392274.db2.gz UXCCEJWUYNKIQT-GXTWGEPZSA-N 1 2 355.232 3.214 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000591851263 507392281 /nfs/dbraw/zinc/39/22/81/507392281.db2.gz UXCCEJWUYNKIQT-GXTWGEPZSA-N 1 2 355.232 3.214 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCC1CC1)CC1CC1 ZINC000598466780 507437691 /nfs/dbraw/zinc/43/76/91/507437691.db2.gz UWZNDYIEFAXTMK-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO CC(C)c1nnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130974 507496241 /nfs/dbraw/zinc/49/62/41/507496241.db2.gz NKWITXSGSBWYSA-WKILWMFISA-N 1 2 374.441 3.407 20 5 FGBDLO CC(C)c1nnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130974 507496249 /nfs/dbraw/zinc/49/62/49/507496249.db2.gz NKWITXSGSBWYSA-WKILWMFISA-N 1 2 374.441 3.407 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000595441964 507499684 /nfs/dbraw/zinc/49/96/84/507499684.db2.gz OFWJUISQJDOSCV-CQSZACIVSA-N 1 2 350.312 3.259 20 5 FGBDLO CC(C)(CO)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000595502298 507533036 /nfs/dbraw/zinc/53/30/36/507533036.db2.gz YPJQZDHZPSYBRG-MRXNPFEDSA-N 1 2 351.353 3.117 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595503192 507535102 /nfs/dbraw/zinc/53/51/02/507535102.db2.gz YCOFOCPYHHTNSJ-CYBMUJFWSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595503192 507535106 /nfs/dbraw/zinc/53/51/06/507535106.db2.gz YCOFOCPYHHTNSJ-CYBMUJFWSA-N 1 2 374.828 3.461 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598676226 507546828 /nfs/dbraw/zinc/54/68/28/507546828.db2.gz DYFRLLRYHCDXAD-SFHVURJKSA-N 1 2 374.462 3.478 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177102 507548059 /nfs/dbraw/zinc/54/80/59/507548059.db2.gz QDCCXMXHNGOPLB-IUCAKERBSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177102 507548064 /nfs/dbraw/zinc/54/80/64/507548064.db2.gz QDCCXMXHNGOPLB-IUCAKERBSA-N 1 2 365.739 3.459 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611203394 507560093 /nfs/dbraw/zinc/56/00/93/507560093.db2.gz WWFHWIUGYZONAI-AWEZNQCLSA-N 1 2 360.439 3.381 20 5 FGBDLO CCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611262378 507587123 /nfs/dbraw/zinc/58/71/23/507587123.db2.gz SKEJVTBXSVKFHP-UHFFFAOYSA-N 1 2 351.790 3.076 20 5 FGBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611262378 507587126 /nfs/dbraw/zinc/58/71/26/507587126.db2.gz SKEJVTBXSVKFHP-UHFFFAOYSA-N 1 2 351.790 3.076 20 5 FGBDLO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592400599 507640448 /nfs/dbraw/zinc/64/04/48/507640448.db2.gz UHAWHIAYGVFNOF-DOMZBBRYSA-N 1 2 365.430 3.022 20 5 FGBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000614925206 507694123 /nfs/dbraw/zinc/69/41/23/507694123.db2.gz WQQQBXODNBFXDU-AWEZNQCLSA-N 1 2 359.304 3.279 20 5 FGBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000614925206 507694130 /nfs/dbraw/zinc/69/41/30/507694130.db2.gz WQQQBXODNBFXDU-AWEZNQCLSA-N 1 2 359.304 3.279 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602456296 507716049 /nfs/dbraw/zinc/71/60/49/507716049.db2.gz WZPFRAOJXLOFFD-ZDUSSCGKSA-N 1 2 359.348 3.104 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602456296 507716055 /nfs/dbraw/zinc/71/60/55/507716055.db2.gz WZPFRAOJXLOFFD-ZDUSSCGKSA-N 1 2 359.348 3.104 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521372 507720946 /nfs/dbraw/zinc/72/09/46/507720946.db2.gz BGZZVWBEJBKIAM-CMPLNLGQSA-N 1 2 362.348 3.427 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521372 507720950 /nfs/dbraw/zinc/72/09/50/507720950.db2.gz BGZZVWBEJBKIAM-CMPLNLGQSA-N 1 2 362.348 3.427 20 5 FGBDLO O=C(Nc1n[nH]c2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000476786133 561128350 /nfs/dbraw/zinc/12/83/50/561128350.db2.gz FCXYNKXTKCMECJ-UHFFFAOYSA-N 1 2 366.312 3.048 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1[N+](=O)[O-] ZINC000093512650 700451638 /nfs/dbraw/zinc/45/16/38/700451638.db2.gz WNARQXJTYJCJFF-UHFFFAOYSA-N 1 2 360.845 3.269 20 5 FGBDLO Cc1cc(Cl)ncc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178658692 705671874 /nfs/dbraw/zinc/67/18/74/705671874.db2.gz LUBWDNNBGPCWIG-UHFFFAOYSA-N 1 2 357.757 3.390 20 5 FGBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617689972 714682042 /nfs/dbraw/zinc/68/20/42/714682042.db2.gz DJLNCOQJHMRIGS-CQSZACIVSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804432007 724516522 /nfs/dbraw/zinc/51/65/22/724516522.db2.gz NBSCMRXWRZVPSS-NEPJUHHUSA-N 1 2 372.263 3.187 20 5 FGBDLO O=C(OCCCn1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000783317088 724747050 /nfs/dbraw/zinc/74/70/50/724747050.db2.gz SJGVRDXYLCPEDA-UHFFFAOYSA-N 1 2 358.379 3.162 20 5 FGBDLO C[C@H]1C[N@H+](CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000725789767 722422492 /nfs/dbraw/zinc/42/24/92/722422492.db2.gz ORXAOUDVZXAAHD-VIFPVBQESA-N 1 2 367.755 3.400 20 5 FGBDLO C[C@H]1C[N@@H+](CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000725789767 722422494 /nfs/dbraw/zinc/42/24/94/722422494.db2.gz ORXAOUDVZXAAHD-VIFPVBQESA-N 1 2 367.755 3.400 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1Br ZINC000742152979 722552521 /nfs/dbraw/zinc/55/25/21/722552521.db2.gz OWLVSHMWMDVIJZ-CYBMUJFWSA-N 1 2 365.231 3.076 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1Br ZINC000742152979 722552522 /nfs/dbraw/zinc/55/25/22/722552522.db2.gz OWLVSHMWMDVIJZ-CYBMUJFWSA-N 1 2 365.231 3.076 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749803745 722742166 /nfs/dbraw/zinc/74/21/66/722742166.db2.gz BCUSLMZLBWLNQS-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749803745 722742168 /nfs/dbraw/zinc/74/21/68/722742168.db2.gz BCUSLMZLBWLNQS-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749803748 722742200 /nfs/dbraw/zinc/74/22/00/722742200.db2.gz BCUSLMZLBWLNQS-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000749803748 722742202 /nfs/dbraw/zinc/74/22/02/722742202.db2.gz BCUSLMZLBWLNQS-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)c[nH+]1 ZINC000766578484 723582131 /nfs/dbraw/zinc/58/21/31/723582131.db2.gz NUCHRLZXXHZZMF-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796164323 723624376 /nfs/dbraw/zinc/62/43/76/723624376.db2.gz VYSWNIVVCLEODW-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796164323 723624377 /nfs/dbraw/zinc/62/43/77/723624377.db2.gz VYSWNIVVCLEODW-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000775641708 724014037 /nfs/dbraw/zinc/01/40/37/724014037.db2.gz SCFMNPJAIZROGJ-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000775641708 724014048 /nfs/dbraw/zinc/01/40/48/724014048.db2.gz SCFMNPJAIZROGJ-QGZVFWFLSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C/C(Cl)=C/Cl)CC3)nc2c1 ZINC000775672788 724021372 /nfs/dbraw/zinc/02/13/72/724021372.db2.gz JHWYYBXUYHVSOQ-LUAWRHEFSA-N 1 2 370.240 3.302 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C/C(Cl)=C/Cl)CC3)nc2c1 ZINC000775672788 724021375 /nfs/dbraw/zinc/02/13/75/724021375.db2.gz JHWYYBXUYHVSOQ-LUAWRHEFSA-N 1 2 370.240 3.302 20 5 FGBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778181929 724307455 /nfs/dbraw/zinc/30/74/55/724307455.db2.gz QPQKQWDHCDDXBO-UHFFFAOYSA-N 1 2 366.780 3.221 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805775655 725094091 /nfs/dbraw/zinc/09/40/91/725094091.db2.gz HNDGXUFKSVZWSU-HNNXBMFYSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805775655 725094093 /nfs/dbraw/zinc/09/40/93/725094093.db2.gz HNDGXUFKSVZWSU-HNNXBMFYSA-N 1 2 353.394 3.225 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c2ncc([N+](=O)[O-])cc12 ZINC000789477663 725131020 /nfs/dbraw/zinc/13/10/20/725131020.db2.gz HKZJNZVUHVUFRG-OCCSQVGLSA-N 1 2 370.240 3.121 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c2ncc([N+](=O)[O-])cc12 ZINC000789477663 725131023 /nfs/dbraw/zinc/13/10/23/725131023.db2.gz HKZJNZVUHVUFRG-OCCSQVGLSA-N 1 2 370.240 3.121 20 5 FGBDLO Cc1nc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813171632 726846094 /nfs/dbraw/zinc/84/60/94/726846094.db2.gz ODMYENHDGXGUKN-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO Cc1nc(C)c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813171632 726846098 /nfs/dbraw/zinc/84/60/98/726846098.db2.gz ODMYENHDGXGUKN-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO O=C1CCC(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000829531582 729488205 /nfs/dbraw/zinc/48/82/05/729488205.db2.gz OKBWRRPRDGZGCR-UHFFFAOYSA-N 1 2 367.243 3.475 20 5 FGBDLO O=C1CCC(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000829531582 729488209 /nfs/dbraw/zinc/48/82/09/729488209.db2.gz OKBWRRPRDGZGCR-UHFFFAOYSA-N 1 2 367.243 3.475 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836763106 729968926 /nfs/dbraw/zinc/96/89/26/729968926.db2.gz FXURLQMGGYKKLB-ZBEGNZNMSA-N 1 2 362.817 3.476 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)on1 ZINC000865419962 733195986 /nfs/dbraw/zinc/19/59/86/733195986.db2.gz DUTRGFGULHWENM-UHFFFAOYSA-N 1 2 352.341 3.151 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872068789 735584338 /nfs/dbraw/zinc/58/43/38/735584338.db2.gz ZRHIQEBWEQCJNH-SNVBAGLBSA-N 1 2 372.443 3.440 20 5 FGBDLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877795266 736723108 /nfs/dbraw/zinc/72/31/08/736723108.db2.gz DVMDQTIPQRFEPT-SECBINFHSA-N 1 2 363.277 3.402 20 5 FGBDLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877795266 736723114 /nfs/dbraw/zinc/72/31/14/736723114.db2.gz DVMDQTIPQRFEPT-SECBINFHSA-N 1 2 363.277 3.402 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000886236221 739235008 /nfs/dbraw/zinc/23/50/08/739235008.db2.gz BNEDZWAPAZAFLN-HNNXBMFYSA-N 1 2 356.209 3.294 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903086643 743803014 /nfs/dbraw/zinc/80/30/14/743803014.db2.gz AQMGVUUZROSQSG-GFCCVEGCSA-N 1 2 351.204 3.248 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903086643 743803016 /nfs/dbraw/zinc/80/30/16/743803016.db2.gz AQMGVUUZROSQSG-GFCCVEGCSA-N 1 2 351.204 3.248 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc2)cn1 ZINC000359909160 206772447 /nfs/dbraw/zinc/77/24/47/206772447.db2.gz YIYHOSKSWDVGDS-LJQANCHMSA-N 1 2 363.377 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075832454 493782679 /nfs/dbraw/zinc/78/26/79/493782679.db2.gz QHPCJUMSWCVSGV-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC4(CCCCC4)C3)o2)cc1 ZINC000075832454 493782683 /nfs/dbraw/zinc/78/26/83/493782683.db2.gz QHPCJUMSWCVSGV-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO CN(CCc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081296482 493864115 /nfs/dbraw/zinc/86/41/15/493864115.db2.gz LZXPLENSHHZCFX-UHFFFAOYSA-N 1 2 356.407 3.157 20 5 FGBDLO CSc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029503 493875582 /nfs/dbraw/zinc/87/55/82/493875582.db2.gz IUAZGVOXZRPAKG-KRWDZBQOSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029503 493875585 /nfs/dbraw/zinc/87/55/85/493875585.db2.gz IUAZGVOXZRPAKG-KRWDZBQOSA-N 1 2 371.462 3.446 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccc(F)cc21 ZINC000058741371 493880041 /nfs/dbraw/zinc/88/00/41/493880041.db2.gz GHZSAXFMHQNOQH-UHFFFAOYSA-N 1 2 352.325 3.123 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000030959847 493914341 /nfs/dbraw/zinc/91/43/41/493914341.db2.gz QZVJQTOEPGSJHQ-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000030959847 493914345 /nfs/dbraw/zinc/91/43/45/493914345.db2.gz QZVJQTOEPGSJHQ-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccc(F)cc4)CC3)nc2c1 ZINC000083127250 493998800 /nfs/dbraw/zinc/99/88/00/493998800.db2.gz DERVAOJOCMMSEI-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010283366 494148446 /nfs/dbraw/zinc/14/84/46/494148446.db2.gz ZRXWKEFLKNLTEF-UHFFFAOYSA-N 1 2 369.421 3.216 20 5 FGBDLO CC[N@H+](CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000065511017 494206805 /nfs/dbraw/zinc/20/68/05/494206805.db2.gz GBXAGXHHODEMEG-UHFFFAOYSA-N 1 2 370.453 3.353 20 5 FGBDLO CC[N@@H+](CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000065511017 494206809 /nfs/dbraw/zinc/20/68/09/494206809.db2.gz GBXAGXHHODEMEG-UHFFFAOYSA-N 1 2 370.453 3.353 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814472 494242140 /nfs/dbraw/zinc/24/21/40/494242140.db2.gz RZCUHOQZDGTHGR-KWOWKCNFSA-N 1 2 366.421 3.431 20 5 FGBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000066565831 494355728 /nfs/dbraw/zinc/35/57/28/494355728.db2.gz HPMKUXSYBKNTQA-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000066565831 494355732 /nfs/dbraw/zinc/35/57/32/494355732.db2.gz HPMKUXSYBKNTQA-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000044711368 494376682 /nfs/dbraw/zinc/37/66/82/494376682.db2.gz WGMPYHHNIUSABR-LBPRGKRZSA-N 1 2 362.817 3.095 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000016977560 494405045 /nfs/dbraw/zinc/40/50/45/494405045.db2.gz NWMXHHQQJZENCR-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000018232306 494429892 /nfs/dbraw/zinc/42/98/92/494429892.db2.gz YTDZQSYFABZVPK-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000018232306 494429895 /nfs/dbraw/zinc/42/98/95/494429895.db2.gz YTDZQSYFABZVPK-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000066875387 494430482 /nfs/dbraw/zinc/43/04/82/494430482.db2.gz PHBVNUZXSMBSOV-UHFFFAOYSA-N 1 2 351.472 3.317 20 5 FGBDLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067178302 494490688 /nfs/dbraw/zinc/49/06/88/494490688.db2.gz KSTAOMCSJCPDPC-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000067200647 494493709 /nfs/dbraw/zinc/49/37/09/494493709.db2.gz XZFQMSJXDVTCTK-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639403 494573996 /nfs/dbraw/zinc/57/39/96/494573996.db2.gz HXLKWQVANQAKDW-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO COCCOCc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000574246820 505729204 /nfs/dbraw/zinc/72/92/04/505729204.db2.gz QHBKEFHGWAUYIC-UHFFFAOYSA-N 1 2 372.421 3.152 20 5 FGBDLO COCCOCc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000574246820 505729208 /nfs/dbraw/zinc/72/92/08/505729208.db2.gz QHBKEFHGWAUYIC-UHFFFAOYSA-N 1 2 372.421 3.152 20 5 FGBDLO COc1cccc([C@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000074727522 494583030 /nfs/dbraw/zinc/58/30/30/494583030.db2.gz VPPTZEZKMLDOCM-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000131499102 494639550 /nfs/dbraw/zinc/63/95/50/494639550.db2.gz YSCVYYBDQZQOSS-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000131499102 494639557 /nfs/dbraw/zinc/63/95/57/494639557.db2.gz YSCVYYBDQZQOSS-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000080239890 494649085 /nfs/dbraw/zinc/64/90/85/494649085.db2.gz CIXCSWHWEVCBEE-LBPRGKRZSA-N 1 2 355.188 3.428 20 5 FGBDLO CCc1nn(C)c(NCc2[nH+]ccn2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000091735488 494661157 /nfs/dbraw/zinc/66/11/57/494661157.db2.gz SVHQOPRXDJEPLJ-UHFFFAOYSA-N 1 2 368.441 3.332 20 5 FGBDLO CN(C)c1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000568611313 505736172 /nfs/dbraw/zinc/73/61/72/505736172.db2.gz LPHVIHSQMNMSOH-LJQANCHMSA-N 1 2 365.437 3.274 20 5 FGBDLO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108397529 494699878 /nfs/dbraw/zinc/69/98/78/494699878.db2.gz JBPZHAAUBCTIGX-CQSZACIVSA-N 1 2 369.849 3.468 20 5 FGBDLO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108397529 494699885 /nfs/dbraw/zinc/69/98/85/494699885.db2.gz JBPZHAAUBCTIGX-CQSZACIVSA-N 1 2 369.849 3.468 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091987199 494744521 /nfs/dbraw/zinc/74/45/21/494744521.db2.gz QKZBGGMBNGEWNU-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091987199 494744531 /nfs/dbraw/zinc/74/45/31/494744531.db2.gz QKZBGGMBNGEWNU-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO CC(C)N(Cc1cccnc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000108724763 494772382 /nfs/dbraw/zinc/77/23/82/494772382.db2.gz RFMBKYQAJXDQCW-UHFFFAOYSA-N 1 2 365.393 3.226 20 5 FGBDLO COc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000025815295 494780351 /nfs/dbraw/zinc/78/03/51/494780351.db2.gz SYUMWGLSWDTHOC-IBGZPJMESA-N 1 2 357.410 3.089 20 5 FGBDLO CC(C)[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000075646931 494808843 /nfs/dbraw/zinc/80/88/43/494808843.db2.gz NGWGPKQVUIEKPW-UHFFFAOYSA-N 1 2 358.320 3.493 20 5 FGBDLO CC(C)[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000075646931 494808848 /nfs/dbraw/zinc/80/88/48/494808848.db2.gz NGWGPKQVUIEKPW-UHFFFAOYSA-N 1 2 358.320 3.493 20 5 FGBDLO Cc1c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000026216068 494810400 /nfs/dbraw/zinc/81/04/00/494810400.db2.gz FITZFVANIPXJGY-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349181 494821975 /nfs/dbraw/zinc/82/19/75/494821975.db2.gz RVNFWUSOCWGPNF-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349181 494821977 /nfs/dbraw/zinc/82/19/77/494821977.db2.gz RVNFWUSOCWGPNF-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CS(C)(=O)=O ZINC000093390673 494884483 /nfs/dbraw/zinc/88/44/83/494884483.db2.gz NHIWSZCOKXQMHL-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CS(C)(=O)=O ZINC000093390673 494884485 /nfs/dbraw/zinc/88/44/85/494884485.db2.gz NHIWSZCOKXQMHL-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(OC)c1OC ZINC000093443680 494892429 /nfs/dbraw/zinc/89/24/29/494892429.db2.gz HQPPCLNJRUTMDV-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(OC)c1OC ZINC000093443680 494892432 /nfs/dbraw/zinc/89/24/32/494892432.db2.gz HQPPCLNJRUTMDV-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109582753 494893906 /nfs/dbraw/zinc/89/39/06/494893906.db2.gz MAANSNUGOMIERJ-UHFFFAOYSA-N 1 2 366.377 3.144 20 5 FGBDLO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000123000629 495065141 /nfs/dbraw/zinc/06/51/41/495065141.db2.gz NFCMTOMHOUUYDJ-CRAIPNDOSA-N 1 2 371.441 3.093 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCc3[nH]c4ccc(F)cc4[nH+]3)cc2N1 ZINC000128678109 495133966 /nfs/dbraw/zinc/13/39/66/495133966.db2.gz HTPHEEBXXGZWHV-UHFFFAOYSA-N 1 2 369.356 3.150 20 5 FGBDLO CSc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000112670240 495220471 /nfs/dbraw/zinc/22/04/71/495220471.db2.gz JJDSSCCTXQBEGT-UHFFFAOYSA-N 1 2 374.466 3.372 20 5 FGBDLO C[S@](=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119754226 495234015 /nfs/dbraw/zinc/23/40/15/495234015.db2.gz RLIFRGLOYSLSJC-IQMFZBJNSA-N 1 2 352.843 3.458 20 5 FGBDLO CCOc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])cc1OCC ZINC000568753547 505770126 /nfs/dbraw/zinc/77/01/26/505770126.db2.gz SKWNSDWMFVOCAJ-LBPRGKRZSA-N 1 2 362.386 3.179 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103975138 495263354 /nfs/dbraw/zinc/26/33/54/495263354.db2.gz ZGHRIDDQYVJAGT-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135218793 495263518 /nfs/dbraw/zinc/26/35/18/495263518.db2.gz MPKNEFYFVOWCFQ-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135218793 495263523 /nfs/dbraw/zinc/26/35/23/495263523.db2.gz MPKNEFYFVOWCFQ-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135223780 495265025 /nfs/dbraw/zinc/26/50/25/495265025.db2.gz FUZPJXQNINIYNK-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135223780 495265027 /nfs/dbraw/zinc/26/50/27/495265027.db2.gz FUZPJXQNINIYNK-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)nc12 ZINC000135232931 495266527 /nfs/dbraw/zinc/26/65/27/495266527.db2.gz HNEDKODTBQPGTJ-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)nc12 ZINC000135232931 495266530 /nfs/dbraw/zinc/26/65/30/495266530.db2.gz HNEDKODTBQPGTJ-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO CN(C)c1ncccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113321580 495296550 /nfs/dbraw/zinc/29/65/50/495296550.db2.gz ISSKSOUGUORHCP-UHFFFAOYSA-N 1 2 369.450 3.469 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120074435 495302028 /nfs/dbraw/zinc/30/20/28/495302028.db2.gz AIKMNDGOBQISOR-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120074435 495302032 /nfs/dbraw/zinc/30/20/32/495302032.db2.gz AIKMNDGOBQISOR-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO CC[C@@]1(C)C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135641337 495322681 /nfs/dbraw/zinc/32/26/81/495322681.db2.gz GAABHHVGQJXAEC-INIZCTEOSA-N 1 2 360.357 3.206 20 5 FGBDLO CC[C@@]1(C)C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135641337 495322686 /nfs/dbraw/zinc/32/26/86/495322686.db2.gz GAABHHVGQJXAEC-INIZCTEOSA-N 1 2 360.357 3.206 20 5 FGBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000124786105 495343320 /nfs/dbraw/zinc/34/33/20/495343320.db2.gz OCFMKECRWXVVRC-UHFFFAOYSA-N 1 2 366.421 3.259 20 5 FGBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000120356589 495359402 /nfs/dbraw/zinc/35/94/02/495359402.db2.gz DXSZGOVUJIZTII-UHFFFAOYSA-N 1 2 373.384 3.237 20 5 FGBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000120356589 495359404 /nfs/dbraw/zinc/35/94/04/495359404.db2.gz DXSZGOVUJIZTII-UHFFFAOYSA-N 1 2 373.384 3.237 20 5 FGBDLO Cc1c(CC(=O)NCCNc2ccc3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000125136215 495395952 /nfs/dbraw/zinc/39/59/52/495395952.db2.gz ZLBWQXDPYDIIPQ-UHFFFAOYSA-N 1 2 364.405 3.222 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)cc1 ZINC000125421517 495441678 /nfs/dbraw/zinc/44/16/78/495441678.db2.gz VUKUJMYISOQYRL-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)cc1 ZINC000125421517 495441682 /nfs/dbraw/zinc/44/16/82/495441682.db2.gz VUKUJMYISOQYRL-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574502069 505787218 /nfs/dbraw/zinc/78/72/18/505787218.db2.gz IGCOOBMYTCQGLD-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574502069 505787219 /nfs/dbraw/zinc/78/72/19/505787219.db2.gz IGCOOBMYTCQGLD-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185335427 495537076 /nfs/dbraw/zinc/53/70/76/495537076.db2.gz NRBZQLABVLVVQJ-LBPRGKRZSA-N 1 2 361.348 3.301 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185335427 495537079 /nfs/dbraw/zinc/53/70/79/495537079.db2.gz NRBZQLABVLVVQJ-LBPRGKRZSA-N 1 2 361.348 3.301 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000185351601 495542749 /nfs/dbraw/zinc/54/27/49/495542749.db2.gz HWFJNSXXICXUNX-HNNXBMFYSA-N 1 2 359.451 3.393 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000185351601 495542752 /nfs/dbraw/zinc/54/27/52/495542752.db2.gz HWFJNSXXICXUNX-HNNXBMFYSA-N 1 2 359.451 3.393 20 5 FGBDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173472488 495545556 /nfs/dbraw/zinc/54/55/56/495545556.db2.gz QQYVWHAPBCMVHB-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173472488 495545561 /nfs/dbraw/zinc/54/55/61/495545561.db2.gz QQYVWHAPBCMVHB-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000179393000 495574697 /nfs/dbraw/zinc/57/46/97/495574697.db2.gz JXAWWRCRVRWFBS-ZDUSSCGKSA-N 1 2 359.430 3.162 20 5 FGBDLO C[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185522308 495608555 /nfs/dbraw/zinc/60/85/55/495608555.db2.gz WJVNDLITMSCANN-ZIAGYGMSSA-N 1 2 374.416 3.052 20 5 FGBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000170862802 495631407 /nfs/dbraw/zinc/63/14/07/495631407.db2.gz SLIBPGXIXXRGMU-UHFFFAOYSA-N 1 2 363.461 3.229 20 5 FGBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000170862802 495631410 /nfs/dbraw/zinc/63/14/10/495631410.db2.gz SLIBPGXIXXRGMU-UHFFFAOYSA-N 1 2 363.461 3.229 20 5 FGBDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585826 495633288 /nfs/dbraw/zinc/63/32/88/495633288.db2.gz BJPNJPLYVCJJTC-IINYFYTJSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585826 495633296 /nfs/dbraw/zinc/63/32/96/495633296.db2.gz BJPNJPLYVCJJTC-IINYFYTJSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000185614839 495645701 /nfs/dbraw/zinc/64/57/01/495645701.db2.gz HUFAPYTUKBKMMJ-DRDHIDPGSA-N 1 2 358.467 3.443 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000185614839 495645707 /nfs/dbraw/zinc/64/57/07/495645707.db2.gz HUFAPYTUKBKMMJ-DRDHIDPGSA-N 1 2 358.467 3.443 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154586098 495663027 /nfs/dbraw/zinc/66/30/27/495663027.db2.gz ZNRPHRVXPYAVRW-GOSISDBHSA-N 1 2 371.437 3.206 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154585990 495663375 /nfs/dbraw/zinc/66/33/75/495663375.db2.gz ZNRPHRVXPYAVRW-SFHVURJKSA-N 1 2 371.437 3.206 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)CSc3ccc([N+](=O)[O-])cn3)c2cc1C ZINC000159178696 495677831 /nfs/dbraw/zinc/67/78/31/495677831.db2.gz IJBDEEDESWMJDC-CQSZACIVSA-N 1 2 358.423 3.110 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000173770729 495685273 /nfs/dbraw/zinc/68/52/73/495685273.db2.gz PCEOBOOMEWIXHD-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO CCc1cc(NCC[C@H](C)[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000154704038 495701798 /nfs/dbraw/zinc/70/17/98/495701798.db2.gz YVWRXNXCUXBAIM-UOXLDJKESA-N 1 2 362.455 3.183 20 5 FGBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128124 495734626 /nfs/dbraw/zinc/73/46/26/495734626.db2.gz QNAAORCUQXCDEL-NSHDSACASA-N 1 2 362.357 3.460 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179821421 495749309 /nfs/dbraw/zinc/74/93/09/495749309.db2.gz YRUWHCWIMHWTOV-MRXNPFEDSA-N 1 2 373.413 3.089 20 5 FGBDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159599035 495767509 /nfs/dbraw/zinc/76/75/09/495767509.db2.gz YLVDWBPVHZISHV-WAIKUNEKSA-N 1 2 352.843 3.458 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000151791362 495949561 /nfs/dbraw/zinc/94/95/61/495949561.db2.gz MJOLIUROJYEZDJ-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000151791362 495949565 /nfs/dbraw/zinc/94/95/65/495949565.db2.gz MJOLIUROJYEZDJ-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=C(C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171624296 495954137 /nfs/dbraw/zinc/95/41/37/495954137.db2.gz MIWVHDJKTSFBLI-UHFFFAOYSA-N 1 2 368.368 3.212 20 5 FGBDLO O=C(C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171624296 495954140 /nfs/dbraw/zinc/95/41/40/495954140.db2.gz MIWVHDJKTSFBLI-UHFFFAOYSA-N 1 2 368.368 3.212 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000180504746 496023695 /nfs/dbraw/zinc/02/36/95/496023695.db2.gz RCBWAGRIXKEUKB-UHFFFAOYSA-N 1 2 367.327 3.107 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000180504746 496023701 /nfs/dbraw/zinc/02/37/01/496023701.db2.gz RCBWAGRIXKEUKB-UHFFFAOYSA-N 1 2 367.327 3.107 20 5 FGBDLO C[C@@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177375097 496036797 /nfs/dbraw/zinc/03/67/97/496036797.db2.gz DFWMZZKNLPRJIB-INIZCTEOSA-N 1 2 367.327 3.104 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174866318 496140222 /nfs/dbraw/zinc/14/02/22/496140222.db2.gz MXXSEZILNWHFTF-OAHLLOKOSA-N 1 2 352.847 3.235 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174866318 496140223 /nfs/dbraw/zinc/14/02/23/496140223.db2.gz MXXSEZILNWHFTF-OAHLLOKOSA-N 1 2 352.847 3.235 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183912373 496159294 /nfs/dbraw/zinc/15/92/94/496159294.db2.gz SSRRAXYIDYIADO-OAHLLOKOSA-N 1 2 355.394 3.151 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183912373 496159299 /nfs/dbraw/zinc/15/92/99/496159299.db2.gz SSRRAXYIDYIADO-OAHLLOKOSA-N 1 2 355.394 3.151 20 5 FGBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000184146893 496257646 /nfs/dbraw/zinc/25/76/46/496257646.db2.gz BQUJAWVPHAJCFI-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])oc1C ZINC000184223114 496293738 /nfs/dbraw/zinc/29/37/38/496293738.db2.gz YGIAZSCYMFBHMF-UHFFFAOYSA-N 1 2 366.345 3.063 20 5 FGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])oc1C ZINC000184223114 496293740 /nfs/dbraw/zinc/29/37/40/496293740.db2.gz YGIAZSCYMFBHMF-UHFFFAOYSA-N 1 2 366.345 3.063 20 5 FGBDLO CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178029293 496295104 /nfs/dbraw/zinc/29/51/04/496295104.db2.gz BZANWHDFKBPTQK-CJNGLKHVSA-N 1 2 360.439 3.185 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C1CC1)C1CCCC1 ZINC000153281866 496407519 /nfs/dbraw/zinc/40/75/19/496407519.db2.gz YIIMQCPMPHCTLG-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C1CC1)C1CCCC1 ZINC000153281866 496407521 /nfs/dbraw/zinc/40/75/21/496407521.db2.gz YIIMQCPMPHCTLG-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153334722 496423958 /nfs/dbraw/zinc/42/39/58/496423958.db2.gz XXPPXUJTOCOQQS-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153334722 496423963 /nfs/dbraw/zinc/42/39/63/496423963.db2.gz XXPPXUJTOCOQQS-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccc(F)cc2C1 ZINC000178385743 496435592 /nfs/dbraw/zinc/43/55/92/496435592.db2.gz HXNCMPXHOLVTJD-UHFFFAOYSA-N 1 2 366.352 3.118 20 5 FGBDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184717698 496505451 /nfs/dbraw/zinc/50/54/51/496505451.db2.gz CMYJCBPANQTJQA-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000157680927 496529552 /nfs/dbraw/zinc/52/95/52/496529552.db2.gz KLYSERSMWLBAJK-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000153768968 496573612 /nfs/dbraw/zinc/57/36/12/496573612.db2.gz ZKVWIGKGLPWVRK-SFHVURJKSA-N 1 2 371.437 3.124 20 5 FGBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000153768968 496573617 /nfs/dbraw/zinc/57/36/17/496573617.db2.gz ZKVWIGKGLPWVRK-SFHVURJKSA-N 1 2 371.437 3.124 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000185241344 496715093 /nfs/dbraw/zinc/71/50/93/496715093.db2.gz GEQKBZAOHQNOQA-GFCCVEGCSA-N 1 2 374.416 3.279 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000185241330 496715800 /nfs/dbraw/zinc/71/58/00/496715800.db2.gz GEQKBZAOHQNOQA-LBPRGKRZSA-N 1 2 374.416 3.279 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893680 496925110 /nfs/dbraw/zinc/92/51/10/496925110.db2.gz WETAHYXGPHZQAO-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893680 496925116 /nfs/dbraw/zinc/92/51/16/496925116.db2.gz WETAHYXGPHZQAO-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893676 496925490 /nfs/dbraw/zinc/92/54/90/496925490.db2.gz WETAHYXGPHZQAO-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893676 496925496 /nfs/dbraw/zinc/92/54/96/496925496.db2.gz WETAHYXGPHZQAO-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1C ZINC000188861668 496930922 /nfs/dbraw/zinc/93/09/22/496930922.db2.gz LTZVNKUOBCDABL-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278110805 497008569 /nfs/dbraw/zinc/00/85/69/497008569.db2.gz PTWRFQHFJDMWPO-YVYLTUATSA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278110805 497008573 /nfs/dbraw/zinc/00/85/73/497008573.db2.gz PTWRFQHFJDMWPO-YVYLTUATSA-N 1 2 370.409 3.464 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000278117641 497010658 /nfs/dbraw/zinc/01/06/58/497010658.db2.gz QEHHBDPQCBUBEQ-HZPDHXFCSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000278117641 497010660 /nfs/dbraw/zinc/01/06/60/497010660.db2.gz QEHHBDPQCBUBEQ-HZPDHXFCSA-N 1 2 372.425 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC000189111851 497012145 /nfs/dbraw/zinc/01/21/45/497012145.db2.gz HQLHDAKZEHXLPL-ZDUSSCGKSA-N 1 2 350.781 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC000189111851 497012151 /nfs/dbraw/zinc/01/21/51/497012151.db2.gz HQLHDAKZEHXLPL-ZDUSSCGKSA-N 1 2 350.781 3.469 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000274280148 497059024 /nfs/dbraw/zinc/05/90/24/497059024.db2.gz HTLLSTLNPBBZGN-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC=C(C(F)(F)F)CC3)n2)c1 ZINC000270241880 497083839 /nfs/dbraw/zinc/08/38/39/497083839.db2.gz WBRAZPCJYHSVQZ-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC=C(C(F)(F)F)CC3)n2)c1 ZINC000270241880 497083841 /nfs/dbraw/zinc/08/38/41/497083841.db2.gz WBRAZPCJYHSVQZ-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265367940 497108742 /nfs/dbraw/zinc/10/87/42/497108742.db2.gz YMFVUYNFDUSRBF-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO CC1CCN(c2ccc(C(=O)Nc3ccc(N)[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000236672272 497129564 /nfs/dbraw/zinc/12/95/64/497129564.db2.gz BPCVNLWSMUDQDX-UHFFFAOYSA-N 1 2 355.398 3.061 20 5 FGBDLO Cc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000574941591 505886936 /nfs/dbraw/zinc/88/69/36/505886936.db2.gz GNRVSVVVHQRHQX-UHFFFAOYSA-N 1 2 365.393 3.107 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)co2)cc1 ZINC000270533383 497145879 /nfs/dbraw/zinc/14/58/79/497145879.db2.gz GAPOCEMHPNIISJ-ZIAGYGMSSA-N 1 2 371.315 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)co2)cc1 ZINC000270533383 497145885 /nfs/dbraw/zinc/14/58/85/497145885.db2.gz GAPOCEMHPNIISJ-ZIAGYGMSSA-N 1 2 371.315 3.137 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636613 497170830 /nfs/dbraw/zinc/17/08/30/497170830.db2.gz MMVSIMBDSZIECW-AWEZNQCLSA-N 1 2 359.401 3.213 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636613 497170836 /nfs/dbraw/zinc/17/08/36/497170836.db2.gz MMVSIMBDSZIECW-AWEZNQCLSA-N 1 2 359.401 3.213 20 5 FGBDLO COc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271091808 497262877 /nfs/dbraw/zinc/26/28/77/497262877.db2.gz LFEZWRHSSCTUAB-ZDUSSCGKSA-N 1 2 360.389 3.021 20 5 FGBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279006864 497300338 /nfs/dbraw/zinc/30/03/38/497300338.db2.gz SZYSNSMUVHVDGR-UHFFFAOYSA-N 1 2 372.400 3.287 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000271705040 497423618 /nfs/dbraw/zinc/42/36/18/497423618.db2.gz IJAMJVARWMDFGP-KEYYUXOJSA-N 1 2 357.414 3.145 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000267051026 497476927 /nfs/dbraw/zinc/47/69/27/497476927.db2.gz QSHARQYHXYNCKX-UHFFFAOYSA-N 1 2 372.347 3.384 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245676934 497498139 /nfs/dbraw/zinc/49/81/39/497498139.db2.gz LGCAJRSCWRJGRJ-UKRRQHHQSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245676934 497498142 /nfs/dbraw/zinc/49/81/42/497498142.db2.gz LGCAJRSCWRJGRJ-UKRRQHHQSA-N 1 2 367.377 3.110 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000267982268 497651347 /nfs/dbraw/zinc/65/13/47/497651347.db2.gz GIIMQTZVRCKXGH-AWEZNQCLSA-N 1 2 357.414 3.207 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000268188271 497696360 /nfs/dbraw/zinc/69/63/60/497696360.db2.gz WGKSRDKKIGFCBE-CQSZACIVSA-N 1 2 363.805 3.408 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272716870 497711031 /nfs/dbraw/zinc/71/10/31/497711031.db2.gz YSRAZLPYCWOSDR-AWEZNQCLSA-N 1 2 366.805 3.004 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272716870 497711034 /nfs/dbraw/zinc/71/10/34/497711034.db2.gz YSRAZLPYCWOSDR-AWEZNQCLSA-N 1 2 366.805 3.004 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])sc1C ZINC000280406368 497743905 /nfs/dbraw/zinc/74/39/05/497743905.db2.gz LCUCDHLBXJUHDX-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])sc1C ZINC000280406368 497743909 /nfs/dbraw/zinc/74/39/09/497743909.db2.gz LCUCDHLBXJUHDX-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cs1 ZINC000280425609 497749591 /nfs/dbraw/zinc/74/95/91/497749591.db2.gz ZNHVUSQVGDLJQY-NSHDSACASA-N 1 2 362.329 3.378 20 5 FGBDLO CCC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000280654093 497844664 /nfs/dbraw/zinc/84/46/64/497844664.db2.gz FUFJQPFOMLARHL-HNNXBMFYSA-N 1 2 368.437 3.466 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)on1 ZINC000301067528 497937155 /nfs/dbraw/zinc/93/71/55/497937155.db2.gz DJMXACRTDXBVEQ-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO COC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301174678 497983987 /nfs/dbraw/zinc/98/39/87/497983987.db2.gz LAZHGDVYXNFWGS-AWEZNQCLSA-N 1 2 371.397 3.003 20 5 FGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289046816 497993076 /nfs/dbraw/zinc/99/30/76/497993076.db2.gz QBPYBCQJESHCNC-UHFFFAOYSA-N 1 2 357.410 3.159 20 5 FGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289046816 497993080 /nfs/dbraw/zinc/99/30/80/497993080.db2.gz QBPYBCQJESHCNC-UHFFFAOYSA-N 1 2 357.410 3.159 20 5 FGBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000301227379 498010193 /nfs/dbraw/zinc/01/01/93/498010193.db2.gz HGFVOSCOJHSZIT-UHFFFAOYSA-N 1 2 351.322 3.020 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000364615203 498052401 /nfs/dbraw/zinc/05/24/01/498052401.db2.gz VHYZXNNLVKJTKE-QWHCGFSZSA-N 1 2 360.389 3.036 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289297122 498094745 /nfs/dbraw/zinc/09/47/45/498094745.db2.gz HUMORVSXAPFMHG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289297122 498094751 /nfs/dbraw/zinc/09/47/51/498094751.db2.gz HUMORVSXAPFMHG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO COc1ccc([C@@H](Nc2ncc(C)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000301419210 498102860 /nfs/dbraw/zinc/10/28/60/498102860.db2.gz DCIONGOKPMCKJD-MRXNPFEDSA-N 1 2 353.382 3.242 20 5 FGBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289367052 498121079 /nfs/dbraw/zinc/12/10/79/498121079.db2.gz NSRSBHYROOFQIW-GFCCVEGCSA-N 1 2 358.225 3.098 20 5 FGBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289367052 498121083 /nfs/dbraw/zinc/12/10/83/498121083.db2.gz NSRSBHYROOFQIW-GFCCVEGCSA-N 1 2 358.225 3.098 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364746082 498126322 /nfs/dbraw/zinc/12/63/22/498126322.db2.gz KUQJHMSOBWHXLJ-LLVKDONJSA-N 1 2 365.187 3.058 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289487474 498165506 /nfs/dbraw/zinc/16/55/06/498165506.db2.gz IUBNKNAGMHJWRR-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289487474 498165515 /nfs/dbraw/zinc/16/55/15/498165515.db2.gz IUBNKNAGMHJWRR-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285754360 498191190 /nfs/dbraw/zinc/19/11/90/498191190.db2.gz RBTHXNZASZBDBW-GHMZBOCLSA-N 1 2 364.352 3.254 20 5 FGBDLO Cc1[nH+]cccc1Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000351239303 498201995 /nfs/dbraw/zinc/20/19/95/498201995.db2.gz LDNVMLCLVDKWNK-UHFFFAOYSA-N 1 2 353.382 3.317 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301737204 498244004 /nfs/dbraw/zinc/24/40/04/498244004.db2.gz BSEIAOTVVWVVBO-UHFFFAOYSA-N 1 2 359.386 3.016 20 5 FGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000581631268 506031935 /nfs/dbraw/zinc/03/19/35/506031935.db2.gz UIORLIKVKXLDAC-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000581631268 506031938 /nfs/dbraw/zinc/03/19/38/506031938.db2.gz UIORLIKVKXLDAC-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nncn1C ZINC000293676143 498450398 /nfs/dbraw/zinc/45/03/98/498450398.db2.gz VCRZAGVUPJDMKD-ZDUSSCGKSA-N 1 2 357.336 3.229 20 5 FGBDLO COCCC1(C)C[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000297450144 498453568 /nfs/dbraw/zinc/45/35/68/498453568.db2.gz QNEWKEMZNGTKNX-UHFFFAOYSA-N 1 2 374.384 3.106 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000297617837 498513722 /nfs/dbraw/zinc/51/37/22/498513722.db2.gz AXXRAIARGDIYCF-CQSZACIVSA-N 1 2 360.439 3.274 20 5 FGBDLO COc1cccc2c(N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc[nH+]c12 ZINC000302808811 498582986 /nfs/dbraw/zinc/58/29/86/498582986.db2.gz XXHQVOIEIOPQBP-ZDUSSCGKSA-N 1 2 365.393 3.237 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)Cc3ccccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000282842182 498676508 /nfs/dbraw/zinc/67/65/08/498676508.db2.gz FJKSQPJZAVXXEJ-UHFFFAOYSA-N 1 2 364.405 3.447 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303658903 498701908 /nfs/dbraw/zinc/70/19/08/498701908.db2.gz VZGNYTDQRIBLSB-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303658903 498701915 /nfs/dbraw/zinc/70/19/15/498701915.db2.gz VZGNYTDQRIBLSB-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)n1 ZINC000366000375 498725968 /nfs/dbraw/zinc/72/59/68/498725968.db2.gz MFKIEOYHFDTPDR-UHFFFAOYSA-N 1 2 361.349 3.104 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295538885 499045847 /nfs/dbraw/zinc/04/58/47/499045847.db2.gz RBVUCEVHXRVVRD-YPMHNXCESA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295538885 499045852 /nfs/dbraw/zinc/04/58/52/499045852.db2.gz RBVUCEVHXRVVRD-YPMHNXCESA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295604100 499061697 /nfs/dbraw/zinc/06/16/97/499061697.db2.gz XNYHCVUQVUFVRG-WCQYABFASA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295604100 499061702 /nfs/dbraw/zinc/06/17/02/499061702.db2.gz XNYHCVUQVUFVRG-WCQYABFASA-N 1 2 369.849 3.058 20 5 FGBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367079702 499145356 /nfs/dbraw/zinc/14/53/56/499145356.db2.gz WTEKAIMNAXHSSA-GFCCVEGCSA-N 1 2 361.377 3.187 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000367232096 499165562 /nfs/dbraw/zinc/16/55/62/499165562.db2.gz SEJSUQHGCSOCMT-CQSZACIVSA-N 1 2 366.311 3.022 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000367232096 499165564 /nfs/dbraw/zinc/16/55/64/499165564.db2.gz SEJSUQHGCSOCMT-CQSZACIVSA-N 1 2 366.311 3.022 20 5 FGBDLO Cc1cc(F)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000370211754 499197901 /nfs/dbraw/zinc/19/79/01/499197901.db2.gz YVZSUUPRAHDHRE-CYBMUJFWSA-N 1 2 358.373 3.292 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000370868511 499264621 /nfs/dbraw/zinc/26/46/21/499264621.db2.gz GKQGJMVBIFUZGL-CQSZACIVSA-N 1 2 358.398 3.098 20 5 FGBDLO CCc1nc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000368545071 499306453 /nfs/dbraw/zinc/30/64/53/499306453.db2.gz ZMLVCKWHYGZKPT-NSHDSACASA-N 1 2 357.370 3.061 20 5 FGBDLO CCc1nc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000368545071 499306454 /nfs/dbraw/zinc/30/64/54/499306454.db2.gz ZMLVCKWHYGZKPT-NSHDSACASA-N 1 2 357.370 3.061 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)CCC2 ZINC000371467123 499330884 /nfs/dbraw/zinc/33/08/84/499330884.db2.gz VZEIYRWIVPMBAP-OAHLLOKOSA-N 1 2 356.426 3.332 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000371471370 499331563 /nfs/dbraw/zinc/33/15/63/499331563.db2.gz TXSKGQXVYKOWOG-DOMZBBRYSA-N 1 2 360.439 3.173 20 5 FGBDLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002222 499355574 /nfs/dbraw/zinc/35/55/74/499355574.db2.gz PRFBLBNUEKHDPZ-CYBMUJFWSA-N 1 2 374.832 3.169 20 5 FGBDLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002222 499355575 /nfs/dbraw/zinc/35/55/75/499355575.db2.gz PRFBLBNUEKHDPZ-CYBMUJFWSA-N 1 2 374.832 3.169 20 5 FGBDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017869 499357819 /nfs/dbraw/zinc/35/78/19/499357819.db2.gz JENFAPKNNUGOJH-HNNXBMFYSA-N 1 2 371.441 3.190 20 5 FGBDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017869 499357820 /nfs/dbraw/zinc/35/78/20/499357820.db2.gz JENFAPKNNUGOJH-HNNXBMFYSA-N 1 2 371.441 3.190 20 5 FGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000369552084 499416316 /nfs/dbraw/zinc/41/63/16/499416316.db2.gz QEEYHDVOMMJRDQ-IFXJQAMLSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000369552084 499416318 /nfs/dbraw/zinc/41/63/18/499416318.db2.gz QEEYHDVOMMJRDQ-IFXJQAMLSA-N 1 2 373.409 3.020 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000372981600 499445846 /nfs/dbraw/zinc/44/58/46/499445846.db2.gz KPGNSSBPHBIYNU-IBGZPJMESA-N 1 2 352.394 3.216 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000408447418 499588867 /nfs/dbraw/zinc/58/88/67/499588867.db2.gz XMCJOMGVXWSFCJ-QFBILLFUSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000408447418 499588868 /nfs/dbraw/zinc/58/88/68/499588868.db2.gz XMCJOMGVXWSFCJ-QFBILLFUSA-N 1 2 357.454 3.134 20 5 FGBDLO Cc1cc(C=C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000377144513 499665862 /nfs/dbraw/zinc/66/58/62/499665862.db2.gz FNQRRZDDCLWLSH-CQSZACIVSA-N 1 2 370.409 3.398 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1O ZINC000377355106 499682726 /nfs/dbraw/zinc/68/27/26/499682726.db2.gz SBJUSCNQHCBLIN-ZDUSSCGKSA-N 1 2 368.393 3.346 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000377459557 499692828 /nfs/dbraw/zinc/69/28/28/499692828.db2.gz LATHANJYSLKJHI-GHMZBOCLSA-N 1 2 357.395 3.341 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411789770 499790866 /nfs/dbraw/zinc/79/08/66/499790866.db2.gz INIJRLTZSBCZPM-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411789770 499790868 /nfs/dbraw/zinc/79/08/68/499790868.db2.gz INIJRLTZSBCZPM-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000414458197 499794671 /nfs/dbraw/zinc/79/46/71/499794671.db2.gz KHOIEGDBCIRHGL-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)s1 ZINC000413152664 499920085 /nfs/dbraw/zinc/92/00/85/499920085.db2.gz DFLQICBCNQDRAZ-UHFFFAOYSA-N 1 2 350.419 3.075 20 5 FGBDLO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000429227836 500026592 /nfs/dbraw/zinc/02/65/92/500026592.db2.gz AEHGSEPYPGWKLR-UHFFFAOYSA-N 1 2 351.410 3.415 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000425412589 500097384 /nfs/dbraw/zinc/09/73/84/500097384.db2.gz FVNDJQBNWNCPNW-OCCSQVGLSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000425412589 500097387 /nfs/dbraw/zinc/09/73/87/500097387.db2.gz FVNDJQBNWNCPNW-OCCSQVGLSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000425464565 500113472 /nfs/dbraw/zinc/11/34/72/500113472.db2.gz ZTAIUOJNXJTWGE-VIFPVBQESA-N 1 2 365.174 3.418 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000425464565 500113474 /nfs/dbraw/zinc/11/34/74/500113474.db2.gz ZTAIUOJNXJTWGE-VIFPVBQESA-N 1 2 365.174 3.418 20 5 FGBDLO CCOc1cc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)ccc1[N+](=O)[O-] ZINC000425484542 500120473 /nfs/dbraw/zinc/12/04/73/500120473.db2.gz JECVFPDVFSAOPF-SNVBAGLBSA-N 1 2 365.411 3.087 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425507388 500127980 /nfs/dbraw/zinc/12/79/80/500127980.db2.gz MLHVEOYAHGLGSE-CYBMUJFWSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425507388 500127981 /nfs/dbraw/zinc/12/79/81/500127981.db2.gz MLHVEOYAHGLGSE-CYBMUJFWSA-N 1 2 355.320 3.042 20 5 FGBDLO Cc1cc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000430393002 500234475 /nfs/dbraw/zinc/23/44/75/500234475.db2.gz KNTCBJKRNCWCSB-UHFFFAOYSA-N 1 2 370.340 3.246 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000426427184 500271742 /nfs/dbraw/zinc/27/17/42/500271742.db2.gz MHQILNWEGYTIDG-OAHLLOKOSA-N 1 2 360.414 3.085 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000426427184 500271743 /nfs/dbraw/zinc/27/17/43/500271743.db2.gz MHQILNWEGYTIDG-OAHLLOKOSA-N 1 2 360.414 3.085 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000427513270 500399964 /nfs/dbraw/zinc/39/99/64/500399964.db2.gz FCEYNLFPLFGXOQ-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929241 500533316 /nfs/dbraw/zinc/53/33/16/500533316.db2.gz QDWMBLJCNRUMPJ-OLZOCXBDSA-N 1 2 374.441 3.413 20 5 FGBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929241 500533319 /nfs/dbraw/zinc/53/33/19/500533319.db2.gz QDWMBLJCNRUMPJ-OLZOCXBDSA-N 1 2 374.441 3.413 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442730894 500616253 /nfs/dbraw/zinc/61/62/53/500616253.db2.gz POHYHSFOXFELLI-UHFFFAOYSA-N 1 2 368.418 3.410 20 5 FGBDLO CNc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000570641008 506209226 /nfs/dbraw/zinc/20/92/26/506209226.db2.gz IVWDIURBUQEWFY-SHTZXODSSA-N 1 2 369.425 3.185 20 5 FGBDLO CCOc1ccccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805888 500665827 /nfs/dbraw/zinc/66/58/27/500665827.db2.gz KVEXKBXREGBGRF-UHFFFAOYSA-N 1 2 371.437 3.438 20 5 FGBDLO COc1cccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447810088 500667265 /nfs/dbraw/zinc/66/72/65/500667265.db2.gz GHPSYVCFVXAVLY-UHFFFAOYSA-N 1 2 371.437 3.072 20 5 FGBDLO CSc1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])ccn1 ZINC000447811025 500667795 /nfs/dbraw/zinc/66/77/95/500667795.db2.gz MCCMRDWNKBKLFP-UHFFFAOYSA-N 1 2 374.466 3.156 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1Cc2ccccc2C1 ZINC000447814659 500668257 /nfs/dbraw/zinc/66/82/57/500668257.db2.gz AIJDIRPLNQTZDX-UHFFFAOYSA-N 1 2 353.422 3.006 20 5 FGBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC12CCC2 ZINC000447814355 500668550 /nfs/dbraw/zinc/66/85/50/500668550.db2.gz ZQJNLUJLIRSJHO-INIZCTEOSA-N 1 2 359.470 3.444 20 5 FGBDLO Cc1cc(NCCCO[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439131416 500861275 /nfs/dbraw/zinc/86/12/75/500861275.db2.gz NYTHPGPLKMONLQ-GOSISDBHSA-N 1 2 372.425 3.127 20 5 FGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653903 500873319 /nfs/dbraw/zinc/87/33/19/500873319.db2.gz VRALCBLVQJURAG-GWQKEKGPSA-N 1 2 372.450 3.402 20 5 FGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653903 500873323 /nfs/dbraw/zinc/87/33/23/500873323.db2.gz VRALCBLVQJURAG-GWQKEKGPSA-N 1 2 372.450 3.402 20 5 FGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653908 500873567 /nfs/dbraw/zinc/87/35/67/500873567.db2.gz VRALCBLVQJURAG-RYZVSIALSA-N 1 2 372.450 3.402 20 5 FGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653908 500873569 /nfs/dbraw/zinc/87/35/69/500873569.db2.gz VRALCBLVQJURAG-RYZVSIALSA-N 1 2 372.450 3.402 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000444676965 500877132 /nfs/dbraw/zinc/87/71/32/500877132.db2.gz SGNKJDXVYHPANI-HXUWFJFHSA-N 1 2 364.405 3.493 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000444676965 500877134 /nfs/dbraw/zinc/87/71/34/500877134.db2.gz SGNKJDXVYHPANI-HXUWFJFHSA-N 1 2 364.405 3.493 20 5 FGBDLO C[N@H+](Cc1cc(Cl)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444716631 500887033 /nfs/dbraw/zinc/88/70/33/500887033.db2.gz PWFUKJNASQJMFG-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO C[N@@H+](Cc1cc(Cl)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444716631 500887035 /nfs/dbraw/zinc/88/70/35/500887035.db2.gz PWFUKJNASQJMFG-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000434794511 500896384 /nfs/dbraw/zinc/89/63/84/500896384.db2.gz FGKDYZJFJGTGGP-WMZOPIPTSA-N 1 2 370.405 3.482 20 5 FGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000434794511 500896388 /nfs/dbraw/zinc/89/63/88/500896388.db2.gz FGKDYZJFJGTGGP-WMZOPIPTSA-N 1 2 370.405 3.482 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445815065 501035974 /nfs/dbraw/zinc/03/59/74/501035974.db2.gz GMQJFRZBESYFRC-TZMCWYRMSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445815065 501035975 /nfs/dbraw/zinc/03/59/75/501035975.db2.gz GMQJFRZBESYFRC-TZMCWYRMSA-N 1 2 364.789 3.224 20 5 FGBDLO CCCc1ncc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000449615063 501043978 /nfs/dbraw/zinc/04/39/78/501043978.db2.gz XYRYDRCNACCNDF-QGZVFWFLSA-N 1 2 355.398 3.148 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069262 501068603 /nfs/dbraw/zinc/06/86/03/501068603.db2.gz HJCDAPMTCCWMKO-TUAOUCFPSA-N 1 2 374.384 3.245 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069262 501068607 /nfs/dbraw/zinc/06/86/07/501068607.db2.gz HJCDAPMTCCWMKO-TUAOUCFPSA-N 1 2 374.384 3.245 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000450399986 501112025 /nfs/dbraw/zinc/11/20/25/501112025.db2.gz FIQOTCVNOIHQJA-ZDUSSCGKSA-N 1 2 367.409 3.068 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000436398929 501120789 /nfs/dbraw/zinc/12/07/89/501120789.db2.gz BPAUQEHRSWSNLZ-CQSZACIVSA-N 1 2 366.425 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000450459236 501126554 /nfs/dbraw/zinc/12/65/54/501126554.db2.gz KEIQBEIFQGLQFM-UHFFFAOYSA-N 1 2 360.439 3.367 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446715531 501155765 /nfs/dbraw/zinc/15/57/65/501155765.db2.gz CUHABKFJEUBZJS-HNNXBMFYSA-N 1 2 367.449 3.393 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446715531 501155766 /nfs/dbraw/zinc/15/57/66/501155766.db2.gz CUHABKFJEUBZJS-HNNXBMFYSA-N 1 2 367.449 3.393 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1cccc(Cl)c1 ZINC000446739564 501159123 /nfs/dbraw/zinc/15/91/23/501159123.db2.gz VXUJUKWMTWWXRI-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1cccc(Cl)c1 ZINC000446739564 501159127 /nfs/dbraw/zinc/15/91/27/501159127.db2.gz VXUJUKWMTWWXRI-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3csc(-c4ccccn4)n3)nc2c1 ZINC000446854183 501174347 /nfs/dbraw/zinc/17/43/47/501174347.db2.gz ZSQXHSUZKULPRV-UHFFFAOYSA-N 1 2 366.406 3.279 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450726667 501194977 /nfs/dbraw/zinc/19/49/77/501194977.db2.gz VUGHUUSADWKHSZ-UHFFFAOYSA-N 1 2 354.410 3.235 20 5 FGBDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000452047876 501424809 /nfs/dbraw/zinc/42/48/09/501424809.db2.gz OKKKJZUDJKFTAW-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000452047876 501424810 /nfs/dbraw/zinc/42/48/10/501424810.db2.gz OKKKJZUDJKFTAW-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000611682094 506255209 /nfs/dbraw/zinc/25/52/09/506255209.db2.gz ANXKPUYCJRJSMZ-AWEZNQCLSA-N 1 2 369.190 3.320 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000456345040 501504666 /nfs/dbraw/zinc/50/46/66/501504666.db2.gz GKQRIRNLGIXXED-VIFPVBQESA-N 1 2 367.203 3.065 20 5 FGBDLO Cc1cc(C)c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000456842308 501608888 /nfs/dbraw/zinc/60/88/88/501608888.db2.gz GGQGLENYRJZIPU-UHFFFAOYSA-N 1 2 354.410 3.137 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000454709238 501613082 /nfs/dbraw/zinc/61/30/82/501613082.db2.gz HZDNCQBEUZOMGP-ZFWWWQNUSA-N 1 2 357.414 3.038 20 5 FGBDLO NC(=O)c1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000596119995 506269129 /nfs/dbraw/zinc/26/91/29/506269129.db2.gz GBMXSLGRTTWHFY-UHFFFAOYSA-N 1 2 369.425 3.081 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000481287578 501733893 /nfs/dbraw/zinc/73/38/93/501733893.db2.gz QINUNCBSBZPPFY-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000481287578 501733896 /nfs/dbraw/zinc/73/38/96/501733896.db2.gz QINUNCBSBZPPFY-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470637046 501751470 /nfs/dbraw/zinc/75/14/70/501751470.db2.gz XYXCLJGHPFMNMK-CMPLNLGQSA-N 1 2 368.315 3.193 20 5 FGBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000485368457 501799033 /nfs/dbraw/zinc/79/90/33/501799033.db2.gz PWLIDGNRKVQLBZ-UHFFFAOYSA-N 1 2 352.306 3.135 20 5 FGBDLO CCC(CC)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020010 506280956 /nfs/dbraw/zinc/28/09/56/506280956.db2.gz LPERURZCTXULHD-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccnc4ccnn43)cs2)c1 ZINC000478262324 501925161 /nfs/dbraw/zinc/92/51/61/501925161.db2.gz ZFZHDZUGYXLWRW-UHFFFAOYSA-N 1 2 366.406 3.051 20 5 FGBDLO CCc1cc(N2CC[C@@H](C(=O)OC)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000468731184 502162637 /nfs/dbraw/zinc/16/26/37/502162637.db2.gz ADJRVDXARLPAME-MLGOLLRUSA-N 1 2 370.409 3.002 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000599056795 506298396 /nfs/dbraw/zinc/29/83/96/506298396.db2.gz OQGNWVHSAXQQDY-OAHLLOKOSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1ccn2cc(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000475637401 502238902 /nfs/dbraw/zinc/23/89/02/502238902.db2.gz KWXVJMMCYMMGRS-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000479403321 502248899 /nfs/dbraw/zinc/24/88/99/502248899.db2.gz AHKVKLWDDSPNNG-UHFFFAOYSA-N 1 2 370.796 3.406 20 5 FGBDLO CCC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000479919280 502420306 /nfs/dbraw/zinc/42/03/06/502420306.db2.gz ZGBHHZFARXQGDP-ZIAGYGMSSA-N 1 2 363.458 3.487 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000480054556 502458182 /nfs/dbraw/zinc/45/81/82/502458182.db2.gz POBLFGNNYPDPTQ-UHFFFAOYSA-N 1 2 354.414 3.001 20 5 FGBDLO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000599086330 506316238 /nfs/dbraw/zinc/31/62/38/506316238.db2.gz JWVUCCLUBPBWLS-JFIYKMOQSA-N 1 2 353.382 3.170 20 5 FGBDLO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000483906422 502518852 /nfs/dbraw/zinc/51/88/52/502518852.db2.gz GCMYIHNMBBUAQW-DLBZAZTESA-N 1 2 372.425 3.104 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487753711 502523095 /nfs/dbraw/zinc/52/30/95/502523095.db2.gz LHRBIGJFUBKJHN-UHFFFAOYSA-N 1 2 368.418 3.442 20 5 FGBDLO CC[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000462957291 502642583 /nfs/dbraw/zinc/64/25/83/502642583.db2.gz JOIUNBXNRAQBSK-IBGZPJMESA-N 1 2 368.437 3.090 20 5 FGBDLO CC[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000462957291 502642589 /nfs/dbraw/zinc/64/25/89/502642589.db2.gz JOIUNBXNRAQBSK-IBGZPJMESA-N 1 2 368.437 3.090 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000470153087 502681423 /nfs/dbraw/zinc/68/14/23/502681423.db2.gz WPHLZRKOSROZGQ-UHFFFAOYSA-N 1 2 361.377 3.297 20 5 FGBDLO CC1(C)C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000466934311 502731733 /nfs/dbraw/zinc/73/17/33/502731733.db2.gz CKWKQNVTHDXQDK-UHFFFAOYSA-N 1 2 354.472 3.127 20 5 FGBDLO COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000596258203 506331797 /nfs/dbraw/zinc/33/17/97/506331797.db2.gz XERSKYHMIUYOTJ-WCBMZHEXSA-N 1 2 350.762 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000489026693 502863479 /nfs/dbraw/zinc/86/34/79/502863479.db2.gz ZVNYOFFARVUFLH-CYBMUJFWSA-N 1 2 371.372 3.049 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000489026693 502863483 /nfs/dbraw/zinc/86/34/83/502863483.db2.gz ZVNYOFFARVUFLH-CYBMUJFWSA-N 1 2 371.372 3.049 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000505466547 502909358 /nfs/dbraw/zinc/90/93/58/502909358.db2.gz HQDMMOLTBTUQRM-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513405071 502929040 /nfs/dbraw/zinc/92/90/40/502929040.db2.gz DAHWAJBOLYCDAE-OAHLLOKOSA-N 1 2 363.801 3.219 20 5 FGBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513405071 502929043 /nfs/dbraw/zinc/92/90/43/502929043.db2.gz DAHWAJBOLYCDAE-OAHLLOKOSA-N 1 2 363.801 3.219 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000489407161 502949389 /nfs/dbraw/zinc/94/93/89/502949389.db2.gz SVDAAMMDKUXLEL-HNNXBMFYSA-N 1 2 360.458 3.316 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(F)c1 ZINC000509670358 502963687 /nfs/dbraw/zinc/96/36/87/502963687.db2.gz JFBCXDVKDXLIRC-UHFFFAOYSA-N 1 2 373.363 3.295 20 5 FGBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000497749764 503032393 /nfs/dbraw/zinc/03/23/93/503032393.db2.gz GXRDULINJWZZIC-UHFFFAOYSA-N 1 2 352.306 3.135 20 5 FGBDLO COc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000502026753 503129365 /nfs/dbraw/zinc/12/93/65/503129365.db2.gz DMEGWPGKIJVJNS-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000502026753 503129370 /nfs/dbraw/zinc/12/93/70/503129370.db2.gz DMEGWPGKIJVJNS-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000490363838 503162376 /nfs/dbraw/zinc/16/23/76/503162376.db2.gz HURLSKKCANLNHM-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000490363838 503162380 /nfs/dbraw/zinc/16/23/80/503162380.db2.gz HURLSKKCANLNHM-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc([N+](=O)[O-])c1 ZINC000588845794 506356633 /nfs/dbraw/zinc/35/66/33/506356633.db2.gz QRNXHESWVQQEPS-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545838 503193420 /nfs/dbraw/zinc/19/34/20/503193420.db2.gz OEDQXHBKXBSQDD-UHFFFAOYSA-N 1 2 369.368 3.218 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545838 503193423 /nfs/dbraw/zinc/19/34/23/503193423.db2.gz OEDQXHBKXBSQDD-UHFFFAOYSA-N 1 2 369.368 3.218 20 5 FGBDLO Cc1cc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000491134732 503278549 /nfs/dbraw/zinc/27/85/49/503278549.db2.gz WVCPQCJGLXSLNP-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000491134732 503278551 /nfs/dbraw/zinc/27/85/51/503278551.db2.gz WVCPQCJGLXSLNP-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055820 506364747 /nfs/dbraw/zinc/36/47/47/506364747.db2.gz RHVWMZPQWDLEGN-JSGCOSHPSA-N 1 2 369.849 3.465 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055820 506364750 /nfs/dbraw/zinc/36/47/50/506364750.db2.gz RHVWMZPQWDLEGN-JSGCOSHPSA-N 1 2 369.849 3.465 20 5 FGBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492377460 503367166 /nfs/dbraw/zinc/36/71/66/503367166.db2.gz PSQYDWFYJOYGMF-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492377460 503367168 /nfs/dbraw/zinc/36/71/68/503367168.db2.gz PSQYDWFYJOYGMF-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCCC1 ZINC000492673848 503379782 /nfs/dbraw/zinc/37/97/82/503379782.db2.gz NTQXNSARFUITRS-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCCC1 ZINC000492673848 503379783 /nfs/dbraw/zinc/37/97/83/503379783.db2.gz NTQXNSARFUITRS-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000493265956 503416227 /nfs/dbraw/zinc/41/62/27/503416227.db2.gz YQBSLDBBSVWPMM-UONOGXRCSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000493265956 503416230 /nfs/dbraw/zinc/41/62/30/503416230.db2.gz YQBSLDBBSVWPMM-UONOGXRCSA-N 1 2 353.850 3.470 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3ccnn3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000499789521 503482793 /nfs/dbraw/zinc/48/27/93/503482793.db2.gz AAOYQIMRGJOORX-UHFFFAOYSA-N 1 2 373.457 3.093 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc[nH+]c1 ZINC000516758588 503581120 /nfs/dbraw/zinc/58/11/20/503581120.db2.gz QETGXHUFMTUPMV-UHFFFAOYSA-N 1 2 352.350 3.188 20 5 FGBDLO O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000509040605 503628230 /nfs/dbraw/zinc/62/82/30/503628230.db2.gz VQWQKDXMXKKUMA-UHFFFAOYSA-N 1 2 359.729 3.411 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000509087296 503638602 /nfs/dbraw/zinc/63/86/02/503638602.db2.gz YEVHCHVHVQRLOS-UHFFFAOYSA-N 1 2 362.345 3.457 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000536689028 503682033 /nfs/dbraw/zinc/68/20/33/503682033.db2.gz RBCSVTYCRCTEII-UHFFFAOYSA-N 1 2 352.394 3.406 20 5 FGBDLO COc1cc(C[NH2+]Cc2ncccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000527239690 503734933 /nfs/dbraw/zinc/73/49/33/503734933.db2.gz VWORDRXVTGLJFT-UHFFFAOYSA-N 1 2 371.315 3.071 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533288996 503793796 /nfs/dbraw/zinc/79/37/96/503793796.db2.gz MWZWWEAKPQBWFR-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533288996 503793802 /nfs/dbraw/zinc/79/38/02/503793802.db2.gz MWZWWEAKPQBWFR-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540853053 503913459 /nfs/dbraw/zinc/91/34/59/503913459.db2.gz OWOLNSBHBVFVAL-UHFFFAOYSA-N 1 2 365.393 3.103 20 5 FGBDLO Cc1cc(NCc2ccn3cc[nH+]c3c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533784307 503950469 /nfs/dbraw/zinc/95/04/69/503950469.db2.gz IYCOQASPFIFJOM-UHFFFAOYSA-N 1 2 360.377 3.042 20 5 FGBDLO Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000544086581 504001946 /nfs/dbraw/zinc/00/19/46/504001946.db2.gz FBVLSFQHKHGTRK-UHFFFAOYSA-N 1 2 351.815 3.413 20 5 FGBDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000541194274 504037928 /nfs/dbraw/zinc/03/79/28/504037928.db2.gz ZVRRFDNAQFBSCQ-GFCCVEGCSA-N 1 2 353.382 3.453 20 5 FGBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)c1ccccc1 ZINC000534120772 504045626 /nfs/dbraw/zinc/04/56/26/504045626.db2.gz GAPKETVLCCDQNQ-SFHVURJKSA-N 1 2 353.378 3.415 20 5 FGBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)c1ccccc1 ZINC000534120772 504045630 /nfs/dbraw/zinc/04/56/30/504045630.db2.gz GAPKETVLCCDQNQ-SFHVURJKSA-N 1 2 353.378 3.415 20 5 FGBDLO O=[N+]([O-])c1cc(COc2ccccc2-n2cc[nH+]c2)c2c(c1)COCO2 ZINC000530717487 504062684 /nfs/dbraw/zinc/06/26/84/504062684.db2.gz MCTSFQQMTQJOEK-UHFFFAOYSA-N 1 2 353.334 3.226 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000541786358 504254205 /nfs/dbraw/zinc/25/42/05/504254205.db2.gz MVARPJFZNSEGFO-LJQANCHMSA-N 1 2 364.442 3.393 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000541786358 504254207 /nfs/dbraw/zinc/25/42/07/504254207.db2.gz MVARPJFZNSEGFO-LJQANCHMSA-N 1 2 364.442 3.393 20 5 FGBDLO CCn1c(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000542042333 504347353 /nfs/dbraw/zinc/34/73/53/504347353.db2.gz HOTBYVLSWJIARK-UHFFFAOYSA-N 1 2 368.393 3.406 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247285 504380880 /nfs/dbraw/zinc/38/08/80/504380880.db2.gz LVILOXILYNJABB-FSZRXZPDSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247285 504380885 /nfs/dbraw/zinc/38/08/85/504380885.db2.gz LVILOXILYNJABB-FSZRXZPDSA-N 1 2 359.470 3.282 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000539020673 504448628 /nfs/dbraw/zinc/44/86/28/504448628.db2.gz IPYAYCQJYKJZNH-UHFFFAOYSA-N 1 2 367.409 3.312 20 5 FGBDLO COc1ccc(C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000539072565 504464186 /nfs/dbraw/zinc/46/41/86/504464186.db2.gz CZYYAFFHESMVQS-CYBMUJFWSA-N 1 2 367.409 3.343 20 5 FGBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793210 504546190 /nfs/dbraw/zinc/54/61/90/504546190.db2.gz SBGRZNFOKPYLKZ-NEPJUHHUSA-N 1 2 357.385 3.341 20 5 FGBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793210 504546192 /nfs/dbraw/zinc/54/61/92/504546192.db2.gz SBGRZNFOKPYLKZ-NEPJUHHUSA-N 1 2 357.385 3.341 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520714725 504563479 /nfs/dbraw/zinc/56/34/79/504563479.db2.gz FWPBRLDNGKATEY-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000542702905 504582110 /nfs/dbraw/zinc/58/21/10/504582110.db2.gz ZCHMZDSSCJAEMA-UHFFFAOYSA-N 1 2 360.458 3.063 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3cccc(F)c3)co2)cc1 ZINC000542881775 504645688 /nfs/dbraw/zinc/64/56/88/504645688.db2.gz LMZDREVRFXDHPR-KRWDZBQOSA-N 1 2 357.341 3.212 20 5 FGBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542913166 504655534 /nfs/dbraw/zinc/65/55/34/504655534.db2.gz GPRNOBXDHZFMPE-SFHVURJKSA-N 1 2 353.378 3.381 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)ccc1F ZINC000549117507 504692140 /nfs/dbraw/zinc/69/21/40/504692140.db2.gz WNOHIWBBTWMUHP-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536505358 504750362 /nfs/dbraw/zinc/75/03/62/504750362.db2.gz WJCHNURLCBDXBM-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000562395249 504806049 /nfs/dbraw/zinc/80/60/49/504806049.db2.gz VXMQIZCMQXAYIH-KDOFPFPSSA-N 1 2 364.405 3.338 20 5 FGBDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000553336834 504886854 /nfs/dbraw/zinc/88/68/54/504886854.db2.gz LLIUPUINWPXZSQ-MRXNPFEDSA-N 1 2 350.378 3.156 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000549781260 504897005 /nfs/dbraw/zinc/89/70/05/504897005.db2.gz FUUNWIFLNVWUQO-UHFFFAOYSA-N 1 2 371.422 3.268 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000549813934 504905373 /nfs/dbraw/zinc/90/53/73/504905373.db2.gz VYHWOHKGPSAQIM-CQSZACIVSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000549813934 504905374 /nfs/dbraw/zinc/90/53/74/504905374.db2.gz VYHWOHKGPSAQIM-CQSZACIVSA-N 1 2 357.385 3.470 20 5 FGBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550097476 504966605 /nfs/dbraw/zinc/96/66/05/504966605.db2.gz QQABSZHQHNJZBU-INIZCTEOSA-N 1 2 358.394 3.352 20 5 FGBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550097476 504966609 /nfs/dbraw/zinc/96/66/09/504966609.db2.gz QQABSZHQHNJZBU-INIZCTEOSA-N 1 2 358.394 3.352 20 5 FGBDLO CC(C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000557443332 505136325 /nfs/dbraw/zinc/13/63/25/505136325.db2.gz VTHCLBJRDUVWIM-UHFFFAOYSA-N 1 2 350.378 3.446 20 5 FGBDLO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 ZINC000566369063 505155582 /nfs/dbraw/zinc/15/55/82/505155582.db2.gz ZYCFSCOLSBECJW-OAHLLOKOSA-N 1 2 362.348 3.405 20 5 FGBDLO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 ZINC000566369063 505155587 /nfs/dbraw/zinc/15/55/87/505155587.db2.gz ZYCFSCOLSBECJW-OAHLLOKOSA-N 1 2 362.348 3.405 20 5 FGBDLO COc1ccc(C(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000554969183 505316038 /nfs/dbraw/zinc/31/60/38/505316038.db2.gz GOKSMPRBMDLGOT-UHFFFAOYSA-N 1 2 356.378 3.071 20 5 FGBDLO COc1ccc(C(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000554969183 505316042 /nfs/dbraw/zinc/31/60/42/505316042.db2.gz GOKSMPRBMDLGOT-UHFFFAOYSA-N 1 2 356.378 3.071 20 5 FGBDLO Cc1cc(N[C@H](c2[nH]cc[nH+]2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561411915 505338878 /nfs/dbraw/zinc/33/88/78/505338878.db2.gz XDZUAVXEPANADQ-INIZCTEOSA-N 1 2 352.398 3.314 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000555119519 505355341 /nfs/dbraw/zinc/35/53/41/505355341.db2.gz KTVXXCHZCVVNNC-UHFFFAOYSA-N 1 2 369.381 3.271 20 5 FGBDLO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552311943 505456768 /nfs/dbraw/zinc/45/67/68/505456768.db2.gz JJXWHEILQMZGDJ-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522831 505507891 /nfs/dbraw/zinc/50/78/91/505507891.db2.gz HYTAUMPDVXCXHL-WUTVXBCWSA-N 1 2 353.426 3.483 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522831 505507895 /nfs/dbraw/zinc/50/78/95/505507895.db2.gz HYTAUMPDVXCXHL-WUTVXBCWSA-N 1 2 353.426 3.483 20 5 FGBDLO O=C1[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCN1C1CCCCC1 ZINC000596561834 506462043 /nfs/dbraw/zinc/46/20/43/506462043.db2.gz MTZUDLHHCOIRCO-QGZVFWFLSA-N 1 2 354.410 3.489 20 5 FGBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1(F)F ZINC000599514703 506481988 /nfs/dbraw/zinc/48/19/88/506481988.db2.gz YVHXFQIKDVYTGH-UWVGGRQHSA-N 1 2 361.776 3.410 20 5 FGBDLO CCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000603507940 506535523 /nfs/dbraw/zinc/53/55/23/506535523.db2.gz OYOLUDAMQGCOGF-UHFFFAOYSA-N 1 2 366.377 3.109 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646483 506549023 /nfs/dbraw/zinc/54/90/23/506549023.db2.gz KZAWDBMAAVGDCF-GFCCVEGCSA-N 1 2 366.377 3.470 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646483 506549032 /nfs/dbraw/zinc/54/90/32/506549032.db2.gz KZAWDBMAAVGDCF-GFCCVEGCSA-N 1 2 366.377 3.470 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c1 ZINC000589502057 506569954 /nfs/dbraw/zinc/56/99/54/506569954.db2.gz HHHXGAVSHMSBFQ-IBGZPJMESA-N 1 2 370.405 3.263 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c1 ZINC000589502057 506569961 /nfs/dbraw/zinc/56/99/61/506569961.db2.gz HHHXGAVSHMSBFQ-IBGZPJMESA-N 1 2 370.405 3.263 20 5 FGBDLO Cc1c(Br)c(N2CCC[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000612443476 506581956 /nfs/dbraw/zinc/58/19/56/506581956.db2.gz UGBDZBQBVWNASV-NSHDSACASA-N 1 2 366.219 3.099 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000603752468 506611191 /nfs/dbraw/zinc/61/11/91/506611191.db2.gz MEZZJTXFLPPZRA-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO Cn1c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1[N+](=O)[O-] ZINC000612564919 506629554 /nfs/dbraw/zinc/62/95/54/506629554.db2.gz IPGKWNBKZOOTFL-UHFFFAOYSA-N 1 2 353.382 3.262 20 5 FGBDLO COc1ccccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603992109 506682957 /nfs/dbraw/zinc/68/29/57/506682957.db2.gz BCOUOJIYSPAZDP-UHFFFAOYSA-N 1 2 352.350 3.066 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2COC[C@H]2O1 ZINC000593696524 506736263 /nfs/dbraw/zinc/73/62/63/506736263.db2.gz GLFQEJZFNJVPDS-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2COC[C@H]2O1 ZINC000593696524 506736268 /nfs/dbraw/zinc/73/62/68/506736268.db2.gz GLFQEJZFNJVPDS-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO O=[N+]([O-])c1cnccc1Nc1ccc(N2CCc3sccc3C2)[nH+]c1 ZINC000608972404 506754166 /nfs/dbraw/zinc/75/41/66/506754166.db2.gz HDRYAKSIVHWADY-UHFFFAOYSA-N 1 2 353.407 3.175 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000590370030 506805661 /nfs/dbraw/zinc/80/56/61/506805661.db2.gz SCOOYSKPCYXNRF-QGZVFWFLSA-N 1 2 355.394 3.360 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000590370030 506805665 /nfs/dbraw/zinc/80/56/65/506805665.db2.gz SCOOYSKPCYXNRF-QGZVFWFLSA-N 1 2 355.394 3.360 20 5 FGBDLO Cc1nc(C(C)C)oc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590393146 506808635 /nfs/dbraw/zinc/80/86/35/506808635.db2.gz LAYMYZDIARAHLC-UHFFFAOYSA-N 1 2 369.381 3.130 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233207 506822391 /nfs/dbraw/zinc/82/23/91/506822391.db2.gz BNRXBAJGQVVBFX-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233207 506822392 /nfs/dbraw/zinc/82/23/92/506822392.db2.gz BNRXBAJGQVVBFX-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609233819 506822478 /nfs/dbraw/zinc/82/24/78/506822478.db2.gz JAFQSDYQPCBFSF-IBGZPJMESA-N 1 2 369.421 3.021 20 5 FGBDLO CN(C(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609233819 506822483 /nfs/dbraw/zinc/82/24/83/506822483.db2.gz JAFQSDYQPCBFSF-IBGZPJMESA-N 1 2 369.421 3.021 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)C1(F)F ZINC000600185766 506829042 /nfs/dbraw/zinc/82/90/42/506829042.db2.gz LZLIIVXYZMKVLU-VXGBXAGGSA-N 1 2 364.352 3.144 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435437 506831838 /nfs/dbraw/zinc/83/18/38/506831838.db2.gz XDNBRUAIXKLANH-OCCSQVGLSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435437 506831843 /nfs/dbraw/zinc/83/18/43/506831843.db2.gz XDNBRUAIXKLANH-OCCSQVGLSA-N 1 2 366.364 3.306 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609444870 506882976 /nfs/dbraw/zinc/88/29/76/506882976.db2.gz MZZGKFOQIUQIMR-UHFFFAOYSA-N 1 2 370.340 3.262 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000594021450 506888516 /nfs/dbraw/zinc/88/85/16/506888516.db2.gz VZXWOHKDXHIZIR-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754555 506938931 /nfs/dbraw/zinc/93/89/31/506938931.db2.gz KUCBRAACZOLZQZ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754555 506938938 /nfs/dbraw/zinc/93/89/38/506938938.db2.gz KUCBRAACZOLZQZ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000600590238 507021020 /nfs/dbraw/zinc/02/10/20/507021020.db2.gz LELGEKBMLUYLFI-QGZVFWFLSA-N 1 2 360.385 3.040 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000583885228 507029933 /nfs/dbraw/zinc/02/99/33/507029933.db2.gz GJTQOPSODDTESR-UHFFFAOYSA-N 1 2 368.368 3.184 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610003619 507068182 /nfs/dbraw/zinc/06/81/82/507068182.db2.gz BYSXXVFUBOICLR-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610003619 507068185 /nfs/dbraw/zinc/06/81/85/507068185.db2.gz BYSXXVFUBOICLR-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610059026 507085705 /nfs/dbraw/zinc/08/57/05/507085705.db2.gz PWVBEMXLKLJYIC-UHFFFAOYSA-N 1 2 366.421 3.347 20 5 FGBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000601110228 507264882 /nfs/dbraw/zinc/26/48/82/507264882.db2.gz AGNVRLKJZNTPDT-UHFFFAOYSA-N 1 2 358.324 3.046 20 5 FGBDLO COc1ccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000610787912 507390292 /nfs/dbraw/zinc/39/02/92/507390292.db2.gz KLQOHLUNSFRYJO-UHFFFAOYSA-N 1 2 358.394 3.105 20 5 FGBDLO COc1ncc(Br)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000595286310 507449524 /nfs/dbraw/zinc/44/95/24/507449524.db2.gz BKGCFTADBVPLFL-UHFFFAOYSA-N 1 2 366.215 3.393 20 5 FGBDLO COc1ncc(Br)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000595286310 507449536 /nfs/dbraw/zinc/44/95/36/507449536.db2.gz BKGCFTADBVPLFL-UHFFFAOYSA-N 1 2 366.215 3.393 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595295621 507452015 /nfs/dbraw/zinc/45/20/15/507452015.db2.gz NIJYXGTWAQALQR-UHFFFAOYSA-N 1 2 360.414 3.214 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595295621 507452018 /nfs/dbraw/zinc/45/20/18/507452018.db2.gz NIJYXGTWAQALQR-UHFFFAOYSA-N 1 2 360.414 3.214 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976446 507536344 /nfs/dbraw/zinc/53/63/44/507536344.db2.gz QFFVJKCXZSDTSB-MFKMUULPSA-N 1 2 368.340 3.062 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976446 507536349 /nfs/dbraw/zinc/53/63/49/507536349.db2.gz QFFVJKCXZSDTSB-MFKMUULPSA-N 1 2 368.340 3.062 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000614530626 507554163 /nfs/dbraw/zinc/55/41/63/507554163.db2.gz NMSLXKOOOWKUMS-OAHLLOKOSA-N 1 2 357.435 3.102 20 5 FGBDLO Cc1cn2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2[nH+]1 ZINC000602135107 507604649 /nfs/dbraw/zinc/60/46/49/507604649.db2.gz YZFUIHOPKXOJFQ-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO CCOC(=O)CCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586767963 507665263 /nfs/dbraw/zinc/66/52/63/507665263.db2.gz MRKSZHYEKVXDJG-UHFFFAOYSA-N 1 2 356.369 3.428 20 5 FGBDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595758841 507671572 /nfs/dbraw/zinc/67/15/72/507671572.db2.gz IVRVPFSHESSSIO-MRXNPFEDSA-N 1 2 364.833 3.297 20 5 FGBDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595758841 507671575 /nfs/dbraw/zinc/67/15/75/507671575.db2.gz IVRVPFSHESSSIO-MRXNPFEDSA-N 1 2 364.833 3.297 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595816362 507699347 /nfs/dbraw/zinc/69/93/47/507699347.db2.gz WOQCKHIYBPDIBD-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595816362 507699351 /nfs/dbraw/zinc/69/93/51/507699351.db2.gz WOQCKHIYBPDIBD-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c(C)c1 ZINC000602443951 507712922 /nfs/dbraw/zinc/71/29/22/507712922.db2.gz CFQCLQVFCPSIQO-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000826497564 608461204 /nfs/dbraw/zinc/46/12/04/608461204.db2.gz LQRSFKWMJOFMMH-UHFFFAOYSA-N 1 2 368.422 3.126 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000826497564 608461205 /nfs/dbraw/zinc/46/12/05/608461205.db2.gz LQRSFKWMJOFMMH-UHFFFAOYSA-N 1 2 368.422 3.126 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000373895849 713880882 /nfs/dbraw/zinc/88/08/82/713880882.db2.gz YXAUYEBLEMDCNA-NSHDSACASA-N 1 2 363.805 3.393 20 5 FGBDLO Cc1ccc([C@@H]2CC[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)cc1 ZINC000784027019 724814035 /nfs/dbraw/zinc/81/40/35/724814035.db2.gz UDIIKMCTZFCMJV-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ccc([C@@H]2CC[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)cc1 ZINC000784027019 724814037 /nfs/dbraw/zinc/81/40/37/724814037.db2.gz UDIIKMCTZFCMJV-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO CSc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000729339673 722458924 /nfs/dbraw/zinc/45/89/24/722458924.db2.gz CGBQVPFKSLUHTB-HNNXBMFYSA-N 1 2 362.455 3.358 20 5 FGBDLO CSc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000729339674 722459024 /nfs/dbraw/zinc/45/90/24/722459024.db2.gz CGBQVPFKSLUHTB-OAHLLOKOSA-N 1 2 362.455 3.358 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000796005459 723617015 /nfs/dbraw/zinc/61/70/15/723617015.db2.gz YXPCOGQDZZWMQP-UHFFFAOYSA-N 1 2 367.333 3.336 20 5 FGBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796603626 723646014 /nfs/dbraw/zinc/64/60/14/723646014.db2.gz ZYTUWSKKERRUIS-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796603626 723646015 /nfs/dbraw/zinc/64/60/15/723646015.db2.gz ZYTUWSKKERRUIS-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796708699 723651387 /nfs/dbraw/zinc/65/13/87/723651387.db2.gz RSCFIQBDJNHJOZ-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796708699 723651388 /nfs/dbraw/zinc/65/13/88/723651388.db2.gz RSCFIQBDJNHJOZ-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1C ZINC000776799735 724184311 /nfs/dbraw/zinc/18/43/11/724184311.db2.gz MZCRHYWLGSWDOY-UHFFFAOYSA-N 1 2 361.423 3.267 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000787405655 725027411 /nfs/dbraw/zinc/02/74/11/725027411.db2.gz FQSODWJTYANSBT-YVGNARHYSA-N 1 2 360.483 3.107 20 5 FGBDLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789589350 725137735 /nfs/dbraw/zinc/13/77/35/725137735.db2.gz QNQNSNSMSKPSPL-UHFFFAOYSA-N 1 2 364.745 3.398 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1Cl ZINC000836446151 729955786 /nfs/dbraw/zinc/95/57/86/729955786.db2.gz PWBMEEGGHPUBRF-UHFFFAOYSA-N 1 2 366.830 3.253 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1Cl ZINC000836446151 729955787 /nfs/dbraw/zinc/95/57/87/729955787.db2.gz PWBMEEGGHPUBRF-UHFFFAOYSA-N 1 2 366.830 3.253 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000844378955 730710045 /nfs/dbraw/zinc/71/00/45/730710045.db2.gz NPVJZBIAIUOTMM-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000844378955 730710047 /nfs/dbraw/zinc/71/00/47/730710047.db2.gz NPVJZBIAIUOTMM-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000856728917 732047460 /nfs/dbraw/zinc/04/74/60/732047460.db2.gz MUJYKYKDJQVHKZ-LLVKDONJSA-N 1 2 351.204 3.395 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccn(C(F)F)c1=O ZINC000876552258 736112942 /nfs/dbraw/zinc/11/29/42/736112942.db2.gz OHTMKBHXZATPRK-UHFFFAOYSA-N 1 2 357.744 3.437 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccn(C(F)F)c1=O ZINC000876552258 736112945 /nfs/dbraw/zinc/11/29/45/736112945.db2.gz OHTMKBHXZATPRK-UHFFFAOYSA-N 1 2 357.744 3.437 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900540567 743126933 /nfs/dbraw/zinc/12/69/33/743126933.db2.gz LZYKPJHKZQGDKX-SECBINFHSA-N 1 2 352.753 3.130 20 5 FGBDLO COc1cc([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903088388 743803456 /nfs/dbraw/zinc/80/34/56/743803456.db2.gz KOTDZYCXKIUATD-JTQLQIEISA-N 1 2 358.320 3.213 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000906560284 744143122 /nfs/dbraw/zinc/14/31/22/744143122.db2.gz VECVYNMOLRRCGL-OAHLLOKOSA-N 1 2 362.817 3.241 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000931223113 760802967 /nfs/dbraw/zinc/80/29/67/760802967.db2.gz PQIUUADXQHFADS-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932824781 761254261 /nfs/dbraw/zinc/25/42/61/761254261.db2.gz GPNLIUZQRYYUPR-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000933253609 761346767 /nfs/dbraw/zinc/34/67/67/761346767.db2.gz HGEMWCOYMZLTES-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000014305723 132373663 /nfs/dbraw/zinc/37/36/63/132373663.db2.gz VYRJMDDNPAYSRF-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C[C@](CO)([NH2+]Cc1cscc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149857 507277072 /nfs/dbraw/zinc/27/70/72/507277072.db2.gz QTPPEHWVTJTZCU-CQSZACIVSA-N 1 2 371.256 3.416 20 5 FGBDLO CCOc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000080765181 493775936 /nfs/dbraw/zinc/77/59/36/493775936.db2.gz UNIOGIPSJYBWSJ-SFHVURJKSA-N 1 2 371.437 3.479 20 5 FGBDLO CC(=O)c1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000057839767 493806467 /nfs/dbraw/zinc/80/64/67/493806467.db2.gz MOUHEADMEBZIKT-UHFFFAOYSA-N 1 2 356.304 3.193 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000059117925 493902589 /nfs/dbraw/zinc/90/25/89/493902589.db2.gz AEWKIXNSIKUNSS-UHFFFAOYSA-N 1 2 360.439 3.362 20 5 FGBDLO CC(=O)c1ccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000052245260 494013910 /nfs/dbraw/zinc/01/39/10/494013910.db2.gz ZQXTYHAAIKBWOG-CYBMUJFWSA-N 1 2 370.409 3.030 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007668241 494034196 /nfs/dbraw/zinc/03/41/96/494034196.db2.gz IZVBCMPUZBWTPU-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007668241 494034198 /nfs/dbraw/zinc/03/41/98/494034198.db2.gz IZVBCMPUZBWTPU-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359275 494066340 /nfs/dbraw/zinc/06/63/40/494066340.db2.gz GQNZUIIWDKJDKQ-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000041835690 494182832 /nfs/dbraw/zinc/18/28/32/494182832.db2.gz OYGLYJLELSWCGB-UHFFFAOYSA-N 1 2 365.393 3.344 20 5 FGBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000054393107 494231334 /nfs/dbraw/zinc/23/13/34/494231334.db2.gz QEGJCGIBZJPZPF-UHFFFAOYSA-N 1 2 355.394 3.120 20 5 FGBDLO COc1ccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000054393107 494231336 /nfs/dbraw/zinc/23/13/36/494231336.db2.gz QEGJCGIBZJPZPF-UHFFFAOYSA-N 1 2 355.394 3.120 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000571323008 505706430 /nfs/dbraw/zinc/70/64/30/505706430.db2.gz DUANMWGBSOCEHT-GOSISDBHSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000078630310 494333817 /nfs/dbraw/zinc/33/38/17/494333817.db2.gz OYWZXBDUNBFXPU-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000078659578 494339049 /nfs/dbraw/zinc/33/90/49/494339049.db2.gz VUXQMPQLAKDONL-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO CCOC(=O)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089883473 494391009 /nfs/dbraw/zinc/39/10/09/494391009.db2.gz BOZZVYNCUAEFLC-UHFFFAOYSA-N 1 2 359.382 3.025 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000090479875 494472255 /nfs/dbraw/zinc/47/22/55/494472255.db2.gz WMXOGMHZHLPKDU-UHFFFAOYSA-N 1 2 365.393 3.360 20 5 FGBDLO Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000045951411 494479608 /nfs/dbraw/zinc/47/96/08/494479608.db2.gz NUAGZWOGZLXYDR-UHFFFAOYSA-N 1 2 355.398 3.089 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000067142947 494483262 /nfs/dbraw/zinc/48/32/62/494483262.db2.gz FVBUDOKOTZPNBY-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000022964079 494543643 /nfs/dbraw/zinc/54/36/43/494543643.db2.gz QAQWOTXYJRQKPR-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000022964079 494543647 /nfs/dbraw/zinc/54/36/47/494543647.db2.gz QAQWOTXYJRQKPR-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000126108966 494640194 /nfs/dbraw/zinc/64/01/94/494640194.db2.gz BZUKXRPYQZBTGY-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000126108966 494640201 /nfs/dbraw/zinc/64/02/01/494640201.db2.gz BZUKXRPYQZBTGY-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000047273941 494669701 /nfs/dbraw/zinc/66/97/01/494669701.db2.gz CDMFOLVCEKWGGT-CYBMUJFWSA-N 1 2 364.789 3.320 20 5 FGBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000047273941 494669710 /nfs/dbraw/zinc/66/97/10/494669710.db2.gz CDMFOLVCEKWGGT-CYBMUJFWSA-N 1 2 364.789 3.320 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CS(C)(=O)=O ZINC000126213479 494674744 /nfs/dbraw/zinc/67/47/44/494674744.db2.gz JXCCYYZMTAJVOI-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CS(C)(=O)=O ZINC000126213479 494674747 /nfs/dbraw/zinc/67/47/47/494674747.db2.gz JXCCYYZMTAJVOI-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000092689424 494711823 /nfs/dbraw/zinc/71/18/23/494711823.db2.gz GSAGCCZPBDGKGE-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000057356518 494720505 /nfs/dbraw/zinc/72/05/05/494720505.db2.gz JWGJZPFBSRFTJP-UHFFFAOYSA-N 1 2 370.340 3.327 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091927238 494724808 /nfs/dbraw/zinc/72/48/08/494724808.db2.gz HCXVMDYYRYQGQA-RBUKOAKNSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091927238 494724815 /nfs/dbraw/zinc/72/48/15/494724815.db2.gz HCXVMDYYRYQGQA-RBUKOAKNSA-N 1 2 358.394 3.235 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000025796806 494779478 /nfs/dbraw/zinc/77/94/78/494779478.db2.gz BLSKLQFDKOFBFZ-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000025796806 494779485 /nfs/dbraw/zinc/77/94/85/494779485.db2.gz BLSKLQFDKOFBFZ-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000092918032 494784866 /nfs/dbraw/zinc/78/48/66/494784866.db2.gz USLOYHVRMNRCMW-UHFFFAOYSA-N 1 2 352.272 3.415 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554880 494792265 /nfs/dbraw/zinc/79/22/65/494792265.db2.gz GAQNRPJQJYMXDS-OLZOCXBDSA-N 1 2 360.439 3.205 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348618 494820463 /nfs/dbraw/zinc/82/04/63/494820463.db2.gz XVGYPGLLHSQIDW-ZDUSSCGKSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348618 494820465 /nfs/dbraw/zinc/82/04/65/494820465.db2.gz XVGYPGLLHSQIDW-ZDUSSCGKSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026759048 494837060 /nfs/dbraw/zinc/83/70/60/494837060.db2.gz BXYNVDKQGMELAD-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000027227815 494857703 /nfs/dbraw/zinc/85/77/03/494857703.db2.gz HPFGOQIFHKPGAB-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000027227815 494857707 /nfs/dbraw/zinc/85/77/07/494857707.db2.gz HPFGOQIFHKPGAB-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000121773997 494858052 /nfs/dbraw/zinc/85/80/52/494858052.db2.gz SSROVCBGFOBFJN-WBVHZDCISA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000121773997 494858057 /nfs/dbraw/zinc/85/80/57/494858057.db2.gz SSROVCBGFOBFJN-WBVHZDCISA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC000093608091 494902594 /nfs/dbraw/zinc/90/25/94/494902594.db2.gz PUEHYCBPTUXYBI-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000574345025 505751242 /nfs/dbraw/zinc/75/12/42/505751242.db2.gz VGBKOJCRJTUBKM-UHFFFAOYSA-N 1 2 361.442 3.219 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122649615 495009833 /nfs/dbraw/zinc/00/98/33/495009833.db2.gz STQGTLBVNWYAGT-UHFFFAOYSA-N 1 2 371.441 3.322 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O)(C(F)(F)F)CC3)co2)cc1 ZINC000128054690 495038370 /nfs/dbraw/zinc/03/83/70/495038370.db2.gz CKUKKTWPJDOEEK-UHFFFAOYSA-N 1 2 371.315 3.139 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103200956 495203656 /nfs/dbraw/zinc/20/36/56/495203656.db2.gz DCNYQPUNTVLZKU-OAHLLOKOSA-N 1 2 361.442 3.029 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000134922759 495224002 /nfs/dbraw/zinc/22/40/02/495224002.db2.gz UREMYOSVBKIIKZ-UHFFFAOYSA-N 1 2 362.817 3.304 20 5 FGBDLO Cc1c(CC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000129486688 495252083 /nfs/dbraw/zinc/25/20/83/495252083.db2.gz UXQUDSOWCXVJKN-OAHLLOKOSA-N 1 2 373.478 3.413 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000124508138 495298945 /nfs/dbraw/zinc/29/89/45/495298945.db2.gz YANVSSOVKMFYRJ-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000130293537 495369021 /nfs/dbraw/zinc/36/90/21/495369021.db2.gz FHLDTOQJXLUOMT-UHFFFAOYSA-N 1 2 372.450 3.143 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000130293537 495369022 /nfs/dbraw/zinc/36/90/22/495369022.db2.gz FHLDTOQJXLUOMT-UHFFFAOYSA-N 1 2 372.450 3.143 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000137735771 495449797 /nfs/dbraw/zinc/44/97/97/495449797.db2.gz TWRWLUHZXJNJJE-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000137735771 495449800 /nfs/dbraw/zinc/44/98/00/495449800.db2.gz TWRWLUHZXJNJJE-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131099866 495492497 /nfs/dbraw/zinc/49/24/97/495492497.db2.gz UWSOPHMMFVFZIW-MRXNPFEDSA-N 1 2 359.382 3.110 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131099866 495492501 /nfs/dbraw/zinc/49/25/01/495492501.db2.gz UWSOPHMMFVFZIW-MRXNPFEDSA-N 1 2 359.382 3.110 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000173464573 495541908 /nfs/dbraw/zinc/54/19/08/495541908.db2.gz QZZRNMFYLBTFKY-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000173464573 495541914 /nfs/dbraw/zinc/54/19/14/495541914.db2.gz QZZRNMFYLBTFKY-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000185459153 495585897 /nfs/dbraw/zinc/58/58/97/495585897.db2.gz JEZSSNDQDMBNGU-OAHLLOKOSA-N 1 2 356.426 3.288 20 5 FGBDLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185494839 495599324 /nfs/dbraw/zinc/59/93/24/495599324.db2.gz FOMWOCUSMJSMDC-GDZNZVCISA-N 1 2 360.389 3.144 20 5 FGBDLO C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185522345 495608487 /nfs/dbraw/zinc/60/84/87/495608487.db2.gz WJVNDLITMSCANN-KGLIPLIRSA-N 1 2 374.416 3.052 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000182829344 495719833 /nfs/dbraw/zinc/71/98/33/495719833.db2.gz JHOAOFSVOMGHID-MRXNPFEDSA-N 1 2 352.337 3.359 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179821437 495748681 /nfs/dbraw/zinc/74/86/81/495748681.db2.gz YRUWHCWIMHWTOV-INIZCTEOSA-N 1 2 373.413 3.089 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccc(F)cc1 ZINC000155724299 496047493 /nfs/dbraw/zinc/04/74/93/496047493.db2.gz YQWSHTIESFSHJY-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccc(F)cc1 ZINC000155724299 496047501 /nfs/dbraw/zinc/04/75/01/496047501.db2.gz YQWSHTIESFSHJY-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000161108586 496104676 /nfs/dbraw/zinc/10/46/76/496104676.db2.gz ONULVGJJULDMIU-GFCCVEGCSA-N 1 2 362.817 3.492 20 5 FGBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000161108586 496104680 /nfs/dbraw/zinc/10/46/80/496104680.db2.gz ONULVGJJULDMIU-GFCCVEGCSA-N 1 2 362.817 3.492 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000174865289 496138769 /nfs/dbraw/zinc/13/87/69/496138769.db2.gz LWWDQFDCEADHAO-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177884645 496238974 /nfs/dbraw/zinc/23/89/74/496238974.db2.gz SBOARVBWSDJXHR-VHSXEESVSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177884645 496238982 /nfs/dbraw/zinc/23/89/82/496238982.db2.gz SBOARVBWSDJXHR-VHSXEESVSA-N 1 2 356.220 3.026 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187013991 496252375 /nfs/dbraw/zinc/25/23/75/496252375.db2.gz IRKOSANKNXKKLX-CQSZACIVSA-N 1 2 351.453 3.220 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187013991 496252381 /nfs/dbraw/zinc/25/23/81/496252381.db2.gz IRKOSANKNXKKLX-CQSZACIVSA-N 1 2 351.453 3.220 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000172342242 496261451 /nfs/dbraw/zinc/26/14/51/496261451.db2.gz QTPKYCWDPKNZGG-UHFFFAOYSA-N 1 2 368.397 3.137 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184250121 496304426 /nfs/dbraw/zinc/30/44/26/496304426.db2.gz WOUBCILFWGINRD-UHFFFAOYSA-N 1 2 373.384 3.259 20 5 FGBDLO COc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184250121 496304428 /nfs/dbraw/zinc/30/44/28/496304428.db2.gz WOUBCILFWGINRD-UHFFFAOYSA-N 1 2 373.384 3.259 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175245585 496305244 /nfs/dbraw/zinc/30/52/44/496305244.db2.gz XWQYLRGZFNOVNU-QWRGUYRKSA-N 1 2 364.427 3.046 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184276643 496316483 /nfs/dbraw/zinc/31/64/83/496316483.db2.gz AUIXURUEHDBLIG-MNOVXSKESA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153131618 496362381 /nfs/dbraw/zinc/36/23/81/496362381.db2.gz APFFHKYOMYYRGL-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153131618 496362383 /nfs/dbraw/zinc/36/23/83/496362383.db2.gz APFFHKYOMYYRGL-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000153156526 496369088 /nfs/dbraw/zinc/36/90/88/496369088.db2.gz UFLFOLOEDPVKDF-QAPCUYQASA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000153156526 496369095 /nfs/dbraw/zinc/36/90/95/496369095.db2.gz UFLFOLOEDPVKDF-QAPCUYQASA-N 1 2 357.454 3.134 20 5 FGBDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153237286 496393337 /nfs/dbraw/zinc/39/33/37/496393337.db2.gz FZIIGNAZAGERHY-CVEARBPZSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153237286 496393343 /nfs/dbraw/zinc/39/33/43/496393343.db2.gz FZIIGNAZAGERHY-CVEARBPZSA-N 1 2 367.449 3.261 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178443812 496458803 /nfs/dbraw/zinc/45/88/03/496458803.db2.gz NPFZUCVOAVSNNW-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178506538 496480657 /nfs/dbraw/zinc/48/06/57/496480657.db2.gz INVFSZBXQGEPEP-UHFFFAOYSA-N 1 2 364.405 3.444 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000184768725 496524634 /nfs/dbraw/zinc/52/46/34/496524634.db2.gz SJIWRXGAXCEUSB-MRXNPFEDSA-N 1 2 366.421 3.436 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000184801420 496537363 /nfs/dbraw/zinc/53/73/63/496537363.db2.gz ZLPPNRYSBQQYAY-NSHDSACASA-N 1 2 358.789 3.075 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1 ZINC000173116850 496556322 /nfs/dbraw/zinc/55/63/22/496556322.db2.gz YSKSIWKZFDJGTB-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000173202145 496591417 /nfs/dbraw/zinc/59/14/17/496591417.db2.gz CZPAVBNYQLWVEG-UHFFFAOYSA-N 1 2 374.466 3.464 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153858650 496604369 /nfs/dbraw/zinc/60/43/69/496604369.db2.gz PDXBPIHBRUUEJT-HNNXBMFYSA-N 1 2 371.393 3.010 20 5 FGBDLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181967876 496616313 /nfs/dbraw/zinc/61/63/13/496616313.db2.gz JDDZPUGVPRUDAG-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182125607 496678778 /nfs/dbraw/zinc/67/87/78/496678778.db2.gz PUNNPFDJLBRVCM-UHFFFAOYSA-N 1 2 350.802 3.251 20 5 FGBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182125607 496678783 /nfs/dbraw/zinc/67/87/83/496678783.db2.gz PUNNPFDJLBRVCM-UHFFFAOYSA-N 1 2 350.802 3.251 20 5 FGBDLO COc1ccc(OCC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000185159678 496685619 /nfs/dbraw/zinc/68/56/19/496685619.db2.gz ICBAJPXPCOLYEK-NSHDSACASA-N 1 2 364.402 3.014 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000268844343 496802193 /nfs/dbraw/zinc/80/21/93/496802193.db2.gz WTVXZLOFUXQRCM-UHFFFAOYSA-N 1 2 351.204 3.395 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273469454 496815204 /nfs/dbraw/zinc/81/52/04/496815204.db2.gz CUATYJNKLIELNG-YUMQZZPRSA-N 1 2 369.834 3.086 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774781 496882534 /nfs/dbraw/zinc/88/25/34/496882534.db2.gz NJDXPCZHDQQJGS-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774781 496882536 /nfs/dbraw/zinc/88/25/36/496882536.db2.gz NJDXPCZHDQQJGS-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO COc1nc2ccccc2cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000569186606 505871974 /nfs/dbraw/zinc/87/19/74/505871974.db2.gz PWTVOZZCNOJFMG-UHFFFAOYSA-N 1 2 363.377 3.318 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000191904648 496926947 /nfs/dbraw/zinc/92/69/47/496926947.db2.gz BCAYDEOBNTWMIE-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269657363 496984607 /nfs/dbraw/zinc/98/46/07/496984607.db2.gz KHQJRRNETAAFBW-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249584662 497225476 /nfs/dbraw/zinc/22/54/76/497225476.db2.gz SNCQRLSAMMHBEU-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249584662 497225483 /nfs/dbraw/zinc/22/54/83/497225483.db2.gz SNCQRLSAMMHBEU-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000270968831 497237143 /nfs/dbraw/zinc/23/71/43/497237143.db2.gz PPHWUEMJTXARLG-MFKMUULPSA-N 1 2 366.219 3.036 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192919456 497246205 /nfs/dbraw/zinc/24/62/05/497246205.db2.gz SXNZCZLGLUURKA-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000266136271 497264692 /nfs/dbraw/zinc/26/46/92/497264692.db2.gz SNBPZORLHGWICH-UHFFFAOYSA-N 1 2 373.457 3.379 20 5 FGBDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000266157678 497269733 /nfs/dbraw/zinc/26/97/33/497269733.db2.gz SFAPBBDSHJXQFT-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000266157678 497269739 /nfs/dbraw/zinc/26/97/39/497269739.db2.gz SFAPBBDSHJXQFT-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276268644 497532915 /nfs/dbraw/zinc/53/29/15/497532915.db2.gz CKUFQCGQOWFNFO-LBPRGKRZSA-N 1 2 366.414 3.330 20 5 FGBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276268644 497532918 /nfs/dbraw/zinc/53/29/18/497532918.db2.gz CKUFQCGQOWFNFO-LBPRGKRZSA-N 1 2 366.414 3.330 20 5 FGBDLO COc1ccnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000190609613 497544639 /nfs/dbraw/zinc/54/46/39/497544639.db2.gz DBWVRHCDBYHSGD-UHFFFAOYSA-N 1 2 373.409 3.050 20 5 FGBDLO CC(C)Oc1nc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000581141971 505919585 /nfs/dbraw/zinc/91/95/85/505919585.db2.gz HPYUEYVZONUTEF-UHFFFAOYSA-N 1 2 373.335 3.172 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000194335415 497638209 /nfs/dbraw/zinc/63/82/09/497638209.db2.gz AFTGSPZZPHZGKN-UHFFFAOYSA-N 1 2 363.458 3.369 20 5 FGBDLO Cc1nc(C)c(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272576295 497667022 /nfs/dbraw/zinc/66/70/22/497667022.db2.gz XBBWDMRTWKSWSY-INIZCTEOSA-N 1 2 357.439 3.281 20 5 FGBDLO CC(C)Cn1cc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272574717 497667050 /nfs/dbraw/zinc/66/70/50/497667050.db2.gz WTCNAQGMZBUOFF-KRWDZBQOSA-N 1 2 354.414 3.382 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000572300869 505937041 /nfs/dbraw/zinc/93/70/41/505937041.db2.gz OXIGVIXFTPXOMH-CYBMUJFWSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000572300869 505937046 /nfs/dbraw/zinc/93/70/46/505937046.db2.gz OXIGVIXFTPXOMH-CYBMUJFWSA-N 1 2 374.828 3.380 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1)CCCC2 ZINC000284739713 497883513 /nfs/dbraw/zinc/88/35/13/497883513.db2.gz XSIREVXGHSUXAH-CQSZACIVSA-N 1 2 360.439 3.246 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000280979621 497973559 /nfs/dbraw/zinc/97/35/59/497973559.db2.gz LCZBYIIXVPNXGM-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000280979621 497973568 /nfs/dbraw/zinc/97/35/68/497973568.db2.gz LCZBYIIXVPNXGM-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296518802 498076254 /nfs/dbraw/zinc/07/62/54/498076254.db2.gz MNRWHSAOHOSMPL-OAHLLOKOSA-N 1 2 358.442 3.171 20 5 FGBDLO CNc1nc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000301842409 498289626 /nfs/dbraw/zinc/28/96/26/498289626.db2.gz ZWWPIRBYRUCSML-UHFFFAOYSA-N 1 2 356.411 3.471 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)c1 ZINC000365337853 498411609 /nfs/dbraw/zinc/41/16/09/498411609.db2.gz RHMHTLSGKYCFMR-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)c1 ZINC000365337853 498411613 /nfs/dbraw/zinc/41/16/13/498411613.db2.gz RHMHTLSGKYCFMR-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000290193517 498459203 /nfs/dbraw/zinc/45/92/03/498459203.db2.gz CJWCRZGSUFOSKW-UHFFFAOYSA-N 1 2 355.803 3.040 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286678187 498473429 /nfs/dbraw/zinc/47/34/29/498473429.db2.gz VJSBKRWFHVGPJD-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286678187 498473435 /nfs/dbraw/zinc/47/34/35/498473435.db2.gz VJSBKRWFHVGPJD-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297595728 498505809 /nfs/dbraw/zinc/50/58/09/498505809.db2.gz NCAGLSYPFQITTK-KEYYUXOJSA-N 1 2 357.414 3.145 20 5 FGBDLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)[nH+]1 ZINC000332505372 498707395 /nfs/dbraw/zinc/70/73/95/498707395.db2.gz XKQLEZCUGWIOLT-UHFFFAOYSA-N 1 2 369.425 3.269 20 5 FGBDLO CCOC1(C)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000298314057 498729669 /nfs/dbraw/zinc/72/96/69/498729669.db2.gz QLNHKYAOSXCHML-UHFFFAOYSA-N 1 2 355.822 3.078 20 5 FGBDLO O=C(C[NH+]1CCC2(CC1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000366028672 498741534 /nfs/dbraw/zinc/74/15/34/498741534.db2.gz KVRZRZBNSUZWHY-UHFFFAOYSA-N 1 2 367.405 3.055 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332646281 498752171 /nfs/dbraw/zinc/75/21/71/498752171.db2.gz MNZMXCHXFWOOSY-CYBMUJFWSA-N 1 2 356.426 3.142 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363448125 498827223 /nfs/dbraw/zinc/82/72/23/498827223.db2.gz DTRNAFFXPADELP-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363448125 498827229 /nfs/dbraw/zinc/82/72/29/498827229.db2.gz DTRNAFFXPADELP-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298685951 498848498 /nfs/dbraw/zinc/84/84/98/498848498.db2.gz APCPDDHHRDYWMO-UHFFFAOYSA-N 1 2 366.377 3.266 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295064662 498896664 /nfs/dbraw/zinc/89/66/64/498896664.db2.gz PSINTJJPVTVQNQ-UHFFFAOYSA-N 1 2 366.425 3.447 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000363675766 498938961 /nfs/dbraw/zinc/93/89/61/498938961.db2.gz BVZWYVPFKSVURW-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@H](c1nccn1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877698 499241076 /nfs/dbraw/zinc/24/10/76/499241076.db2.gz MZGPTQGNVPCOPF-WBVHZDCISA-N 1 2 366.425 3.375 20 5 FGBDLO C[C@H](c1nccn1-c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877698 499241077 /nfs/dbraw/zinc/24/10/77/499241077.db2.gz MZGPTQGNVPCOPF-WBVHZDCISA-N 1 2 366.425 3.375 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](O)c4ccccc4C3)n2)c1 ZINC000367936059 499247696 /nfs/dbraw/zinc/24/76/96/499247696.db2.gz XLQYTVZNYIUUHC-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](O)c4ccccc4C3)n2)c1 ZINC000367936059 499247697 /nfs/dbraw/zinc/24/76/97/499247697.db2.gz XLQYTVZNYIUUHC-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO Cc1cc(N2CC[C@H]([C@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371003181 499279495 /nfs/dbraw/zinc/27/94/95/499279495.db2.gz GRQWHJCWZFWCGN-HOTGVXAUSA-N 1 2 354.410 3.223 20 5 FGBDLO CSc1cccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000368878884 499342647 /nfs/dbraw/zinc/34/26/47/499342647.db2.gz FQAJVBWGYVVNKJ-GFCCVEGCSA-N 1 2 360.439 3.129 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)c1 ZINC000369019380 499358104 /nfs/dbraw/zinc/35/81/04/499358104.db2.gz PNCJGGLZSIMILT-HNNXBMFYSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)c1 ZINC000369019380 499358106 /nfs/dbraw/zinc/35/81/06/499358106.db2.gz PNCJGGLZSIMILT-HNNXBMFYSA-N 1 2 371.372 3.423 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000378444618 499517692 /nfs/dbraw/zinc/51/76/92/499517692.db2.gz XPQCZSFUHVDKPD-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000378444618 499517694 /nfs/dbraw/zinc/51/76/94/499517694.db2.gz XPQCZSFUHVDKPD-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410285929 499653076 /nfs/dbraw/zinc/65/30/76/499653076.db2.gz GIEOOFWKDMEQIS-ZDUSSCGKSA-N 1 2 372.400 3.287 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000377436314 499690493 /nfs/dbraw/zinc/69/04/93/499690493.db2.gz ZQDBJQPWQLZUBA-CZUORRHYSA-N 1 2 365.393 3.204 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411766929 499788239 /nfs/dbraw/zinc/78/82/39/499788239.db2.gz DKUCGIBLLXLZKV-PKOBYXMFSA-N 1 2 369.396 3.048 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411980209 499809041 /nfs/dbraw/zinc/80/90/41/499809041.db2.gz GMSSKJKSSWGCNH-KRWDZBQOSA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411980209 499809042 /nfs/dbraw/zinc/80/90/42/499809042.db2.gz GMSSKJKSSWGCNH-KRWDZBQOSA-N 1 2 369.421 3.385 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414559598 499809139 /nfs/dbraw/zinc/80/91/39/499809139.db2.gz VGMOODQEQKMOFQ-UHFFFAOYSA-N 1 2 356.354 3.215 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](COc4ccccc4)C3)c2c1 ZINC000413273163 499935650 /nfs/dbraw/zinc/93/56/50/499935650.db2.gz YUIRASJBKNRGEH-GOSISDBHSA-N 1 2 365.389 3.427 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCC4(CCOCC4)[C@@H]3O)c2c1 ZINC000413297853 499938440 /nfs/dbraw/zinc/93/84/40/499938440.db2.gz RVEZEBBXHOIBCH-RHSMWYFYSA-N 1 2 357.410 3.123 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSC[C@@H]1C1CCC1 ZINC000416117919 499950077 /nfs/dbraw/zinc/95/00/77/499950077.db2.gz VSFZBPZZIDLKDP-QGZVFWFLSA-N 1 2 372.450 3.138 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1Cc2cccc(F)c2C1 ZINC000413445915 499959924 /nfs/dbraw/zinc/95/99/24/499959924.db2.gz WXLKCQVRYWJIRE-UHFFFAOYSA-N 1 2 357.385 3.086 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421187138 499986781 /nfs/dbraw/zinc/98/67/81/499986781.db2.gz UIDDSGHKZDNZIN-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425475987 500117568 /nfs/dbraw/zinc/11/75/68/500117568.db2.gz LJPCISLUTUHXBY-UHFFFAOYSA-N 1 2 364.199 3.016 20 5 FGBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425475987 500117572 /nfs/dbraw/zinc/11/75/72/500117572.db2.gz LJPCISLUTUHXBY-UHFFFAOYSA-N 1 2 364.199 3.016 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000421745486 500137783 /nfs/dbraw/zinc/13/77/83/500137783.db2.gz WAIHYMRSNNSTKI-UHFFFAOYSA-N 1 2 354.410 3.137 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000421782703 500149679 /nfs/dbraw/zinc/14/96/79/500149679.db2.gz DJKAOVQDQXRSNC-HNNXBMFYSA-N 1 2 356.426 3.040 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000430208806 500209523 /nfs/dbraw/zinc/20/95/23/500209523.db2.gz PJXJMDXSOXTFRI-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000430208806 500209525 /nfs/dbraw/zinc/20/95/25/500209525.db2.gz PJXJMDXSOXTFRI-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430277302 500220306 /nfs/dbraw/zinc/22/03/06/500220306.db2.gz YKOQUMHCYZAKDV-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430277302 500220308 /nfs/dbraw/zinc/22/03/08/500220308.db2.gz YKOQUMHCYZAKDV-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO CCCc1nc(C)c(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000426337986 500262400 /nfs/dbraw/zinc/26/24/00/500262400.db2.gz OQJMEGMUSFYHAK-SFHVURJKSA-N 1 2 369.425 3.456 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000582337416 506189960 /nfs/dbraw/zinc/18/99/60/506189960.db2.gz FDGAAKPHBNWWLX-HNNXBMFYSA-N 1 2 362.348 3.129 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000427371837 500386897 /nfs/dbraw/zinc/38/68/97/500386897.db2.gz GBOBFVAWKDHGRJ-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032661 500560428 /nfs/dbraw/zinc/56/04/28/500560428.db2.gz WZNWESYTMOPGNY-QWHCGFSZSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032661 500560431 /nfs/dbraw/zinc/56/04/31/500560431.db2.gz WZNWESYTMOPGNY-QWHCGFSZSA-N 1 2 374.441 3.271 20 5 FGBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000447594110 500631328 /nfs/dbraw/zinc/63/13/28/500631328.db2.gz WYMGZLKBIGMXAL-CVEARBPZSA-N 1 2 356.430 3.382 20 5 FGBDLO COCCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000447798815 500663348 /nfs/dbraw/zinc/66/33/48/500663348.db2.gz BHNSKIBVKAJJCX-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO Cc1noc(C)c1[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805428 500666004 /nfs/dbraw/zinc/66/60/04/500666004.db2.gz IJWDVSRKMXYWRZ-ZDUSSCGKSA-N 1 2 374.441 3.247 20 5 FGBDLO C[C@@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000602570019 506220638 /nfs/dbraw/zinc/22/06/38/506220638.db2.gz RCYKVKIHWRMSIX-RKDXNWHRSA-N 1 2 360.277 3.134 20 5 FGBDLO C[C@@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000602570019 506220639 /nfs/dbraw/zinc/22/06/39/506220639.db2.gz RCYKVKIHWRMSIX-RKDXNWHRSA-N 1 2 360.277 3.134 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685658 500878728 /nfs/dbraw/zinc/87/87/28/500878728.db2.gz OZRALRNYANKFHV-CYBMUJFWSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685658 500878729 /nfs/dbraw/zinc/87/87/29/500878729.db2.gz OZRALRNYANKFHV-CYBMUJFWSA-N 1 2 360.414 3.025 20 5 FGBDLO CN(C)c1cccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602581179 506223317 /nfs/dbraw/zinc/22/33/17/506223317.db2.gz FRPJCRNJDPKHKK-UHFFFAOYSA-N 1 2 371.260 3.170 20 5 FGBDLO COc1cccc(C(F)(F)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449320439 500976729 /nfs/dbraw/zinc/97/67/29/500976729.db2.gz IPQFZUAHQFJXIB-GFCCVEGCSA-N 1 2 351.353 3.311 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000440504398 501017021 /nfs/dbraw/zinc/01/70/21/501017021.db2.gz WONXNRDXBKXXES-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000440504398 501017023 /nfs/dbraw/zinc/01/70/23/501017023.db2.gz WONXNRDXBKXXES-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824611 501037422 /nfs/dbraw/zinc/03/74/22/501037422.db2.gz NMIOBYQWBKYDMJ-GABYWQGASA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824611 501037424 /nfs/dbraw/zinc/03/74/24/501037424.db2.gz NMIOBYQWBKYDMJ-GABYWQGASA-N 1 2 370.409 3.464 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000435989395 501054559 /nfs/dbraw/zinc/05/45/59/501054559.db2.gz KRRTXORCAUGYNL-MRXNPFEDSA-N 1 2 360.389 3.247 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000450399985 501111978 /nfs/dbraw/zinc/11/19/78/501111978.db2.gz FIQOTCVNOIHQJA-CYBMUJFWSA-N 1 2 367.409 3.068 20 5 FGBDLO COc1ccccc1CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441483685 501146696 /nfs/dbraw/zinc/14/66/96/501146696.db2.gz WNQDHKHOIZVHAK-MRXNPFEDSA-N 1 2 355.438 3.482 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949979 506239969 /nfs/dbraw/zinc/23/99/69/506239969.db2.gz YOPFEIIVOGLQIO-LBPRGKRZSA-N 1 2 360.439 3.038 20 5 FGBDLO O=C(NC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450291010 501226737 /nfs/dbraw/zinc/22/67/37/501226737.db2.gz FFXLFBCZHPVDKN-UHFFFAOYSA-N 1 2 350.325 3.088 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451007861 501238679 /nfs/dbraw/zinc/23/86/79/501238679.db2.gz VXUILDLOVZGNKJ-MRXNPFEDSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451007861 501238680 /nfs/dbraw/zinc/23/86/80/501238680.db2.gz VXUILDLOVZGNKJ-MRXNPFEDSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c(C)[nH+]1 ZINC000596081355 506247138 /nfs/dbraw/zinc/24/71/38/506247138.db2.gz GGQSKOFHUWWOJN-QMMMGPOBSA-N 1 2 351.204 3.359 20 5 FGBDLO CC(C)CCn1cccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453577417 501352043 /nfs/dbraw/zinc/35/20/43/501352043.db2.gz OISLPJDWQKIFDN-UHFFFAOYSA-N 1 2 357.458 3.160 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCC[C@H]21 ZINC000452152889 501447366 /nfs/dbraw/zinc/44/73/66/501447366.db2.gz DFEVKLWYVWREMI-CABCVRRESA-N 1 2 354.410 3.431 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456352309 501507500 /nfs/dbraw/zinc/50/75/00/501507500.db2.gz LNKYCWJMLPZJEK-JTQLQIEISA-N 1 2 368.846 3.434 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@]2(CCSC2)C1 ZINC000456862197 501611977 /nfs/dbraw/zinc/61/19/77/501611977.db2.gz GSYARUWEOLXEGC-SFHVURJKSA-N 1 2 372.450 3.140 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000592826574 506265872 /nfs/dbraw/zinc/26/58/72/506265872.db2.gz CPPJFBQJYVKKMZ-LLVKDONJSA-N 1 2 357.414 3.227 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000592826574 506265880 /nfs/dbraw/zinc/26/58/80/506265880.db2.gz CPPJFBQJYVKKMZ-LLVKDONJSA-N 1 2 357.414 3.227 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000459507773 501666027 /nfs/dbraw/zinc/66/60/27/501666027.db2.gz LEFKVFGZODTEDJ-INIZCTEOSA-N 1 2 358.829 3.453 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000457314709 501680487 /nfs/dbraw/zinc/68/04/87/501680487.db2.gz NBFVKQRYGXVCSS-UHFFFAOYSA-N 1 2 374.344 3.384 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000457319596 501681110 /nfs/dbraw/zinc/68/11/10/501681110.db2.gz XENOTJLSHOVPKU-UHFFFAOYSA-N 1 2 374.344 3.384 20 5 FGBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417867 501815822 /nfs/dbraw/zinc/81/58/22/501815822.db2.gz OHNIUTWGQAGTHR-UHFFFAOYSA-N 1 2 367.384 3.291 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(F)(F)F ZINC000477958798 501840485 /nfs/dbraw/zinc/84/04/85/501840485.db2.gz AIMCKEBXKCHNDP-JTQLQIEISA-N 1 2 356.304 3.193 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000481676640 501845997 /nfs/dbraw/zinc/84/59/97/501845997.db2.gz NRGYMJGKQLKPTO-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956733 501869250 /nfs/dbraw/zinc/86/92/50/501869250.db2.gz UHUZJZLMUUXEIH-PSASIEDQSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956733 501869252 /nfs/dbraw/zinc/86/92/52/501869252.db2.gz UHUZJZLMUUXEIH-PSASIEDQSA-N 1 2 365.739 3.459 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000485711064 501910275 /nfs/dbraw/zinc/91/02/75/501910275.db2.gz UZGSZQWLSXNRHC-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000474923704 501991801 /nfs/dbraw/zinc/99/18/01/501991801.db2.gz IKVNDMKBAAPXTN-UHFFFAOYSA-N 1 2 352.394 3.470 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000464479797 502000888 /nfs/dbraw/zinc/00/08/88/502000888.db2.gz JDBOIPQYTYCPBZ-OAHLLOKOSA-N 1 2 352.337 3.359 20 5 FGBDLO CCOc1cc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000471639833 502096578 /nfs/dbraw/zinc/09/65/78/502096578.db2.gz RHLXGUOIPYZJFS-UHFFFAOYSA-N 1 2 367.409 3.196 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnnn2CC2CC2)s1 ZINC000472063510 502216492 /nfs/dbraw/zinc/21/64/92/502216492.db2.gz DUVQPUKOFLPXFX-UHFFFAOYSA-N 1 2 370.438 3.010 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000482930772 502219670 /nfs/dbraw/zinc/21/96/70/502219670.db2.gz VAKWVWADPTVHOZ-LPHOPBHVSA-N 1 2 369.421 3.304 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000482930772 502219674 /nfs/dbraw/zinc/21/96/74/502219674.db2.gz VAKWVWADPTVHOZ-LPHOPBHVSA-N 1 2 369.421 3.304 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000475617443 502229375 /nfs/dbraw/zinc/22/93/75/502229375.db2.gz JHJXCHDUQATDEG-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO Cc1cc(N2CCC[C@@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)n(C)n1 ZINC000599074449 506310136 /nfs/dbraw/zinc/31/01/36/506310136.db2.gz RWVMJCXSFLRHBO-OAHLLOKOSA-N 1 2 366.425 3.266 20 5 FGBDLO COc1ccc(-c2ccc(CNc3cccc(CO)[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000472580749 502390852 /nfs/dbraw/zinc/39/08/52/502390852.db2.gz NBHGVUIUWZXXMJ-UHFFFAOYSA-N 1 2 355.350 3.363 20 5 FGBDLO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000476671231 502558345 /nfs/dbraw/zinc/55/83/45/502558345.db2.gz XBCVYPNHBXJLTI-LLVKDONJSA-N 1 2 358.398 3.194 20 5 FGBDLO COc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000476671231 502558349 /nfs/dbraw/zinc/55/83/49/502558349.db2.gz XBCVYPNHBXJLTI-LLVKDONJSA-N 1 2 358.398 3.194 20 5 FGBDLO Cn1cc([C@H]2C[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCO2)cn1 ZINC000599108173 506325637 /nfs/dbraw/zinc/32/56/37/506325637.db2.gz NMSZJBNGZXFUBK-RHSMWYFYSA-N 1 2 353.382 3.209 20 5 FGBDLO O=C(CC[N@@H+]1CCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000463418605 502792288 /nfs/dbraw/zinc/79/22/88/502792288.db2.gz YMALIPSYJIOVLE-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO O=C(CC[N@H+]1CCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000463418605 502792296 /nfs/dbraw/zinc/79/22/96/502792296.db2.gz YMALIPSYJIOVLE-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000500920901 502892163 /nfs/dbraw/zinc/89/21/63/502892163.db2.gz DTXQVVZNGJQZFW-UHFFFAOYSA-N 1 2 362.389 3.038 20 5 FGBDLO Cn1nncc1C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000505475110 502911263 /nfs/dbraw/zinc/91/12/63/502911263.db2.gz YDNQSJIIWVDDCU-UHFFFAOYSA-N 1 2 374.429 3.139 20 5 FGBDLO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000509503832 502920520 /nfs/dbraw/zinc/92/05/20/502920520.db2.gz PNNRBABEUHLEIZ-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000509503832 502920524 /nfs/dbraw/zinc/92/05/24/502920524.db2.gz PNNRBABEUHLEIZ-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000513548531 502963355 /nfs/dbraw/zinc/96/33/55/502963355.db2.gz VZCOFHVQURTVIO-UHFFFAOYSA-N 1 2 370.434 3.101 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513655388 502992209 /nfs/dbraw/zinc/99/22/09/502992209.db2.gz MIQIFNUUFQYMON-SFHVURJKSA-N 1 2 358.442 3.357 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000490204056 503130072 /nfs/dbraw/zinc/13/00/72/503130072.db2.gz NPRUIVRDMMGDLJ-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000490204056 503130075 /nfs/dbraw/zinc/13/00/75/503130075.db2.gz NPRUIVRDMMGDLJ-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000498750481 503256569 /nfs/dbraw/zinc/25/65/69/503256569.db2.gz IAFRXGCLVGSNBD-JCURWCKSSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000498750481 503256567 /nfs/dbraw/zinc/25/65/67/503256567.db2.gz IAFRXGCLVGSNBD-JCURWCKSSA-N 1 2 354.834 3.000 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000492377139 503366869 /nfs/dbraw/zinc/36/68/69/503366869.db2.gz PDFOZRKKHNCHNU-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000492464043 503371602 /nfs/dbraw/zinc/37/16/02/503371602.db2.gz SCYRMMSLQGNLHB-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492726477 503382480 /nfs/dbraw/zinc/38/24/80/503382480.db2.gz CBKNACPIJCGMDB-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062884 506368209 /nfs/dbraw/zinc/36/82/09/506368209.db2.gz KEZXOQSIYCDZJR-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062884 506368217 /nfs/dbraw/zinc/36/82/17/506368217.db2.gz KEZXOQSIYCDZJR-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492877529 503390052 /nfs/dbraw/zinc/39/00/52/503390052.db2.gz HXIXPKVXEMVYHC-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO COc1cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492877529 503390057 /nfs/dbraw/zinc/39/00/57/503390057.db2.gz HXIXPKVXEMVYHC-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493279478 503417114 /nfs/dbraw/zinc/41/71/14/503417114.db2.gz YPSFLAVYGHUBLU-SFHVURJKSA-N 1 2 350.378 3.108 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000512240827 503495400 /nfs/dbraw/zinc/49/54/00/503495400.db2.gz CGHITBJHHRXSGR-OAHLLOKOSA-N 1 2 369.421 3.433 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000512240827 503495406 /nfs/dbraw/zinc/49/54/06/503495406.db2.gz CGHITBJHHRXSGR-OAHLLOKOSA-N 1 2 369.421 3.433 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1C ZINC000504555665 503587970 /nfs/dbraw/zinc/58/79/70/503587970.db2.gz QJZXZVISFSIOFR-LLVKDONJSA-N 1 2 363.801 3.171 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC(=O)N1C ZINC000504555665 503587975 /nfs/dbraw/zinc/58/79/75/503587975.db2.gz QJZXZVISFSIOFR-LLVKDONJSA-N 1 2 363.801 3.171 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(F)cccc1F ZINC000537029637 503782327 /nfs/dbraw/zinc/78/23/27/503782327.db2.gz GAFJLCWQGWBIJL-LLVKDONJSA-N 1 2 361.348 3.113 20 5 FGBDLO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc21 ZINC000540535064 503808785 /nfs/dbraw/zinc/80/87/85/503808785.db2.gz SASMBHSEGOZHKV-UHFFFAOYSA-N 1 2 368.393 3.069 20 5 FGBDLO Cc1ccc(Cc2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)c[nH+]1 ZINC000544224125 504052791 /nfs/dbraw/zinc/05/27/91/504052791.db2.gz BNDNYLKYNXFFKT-UHFFFAOYSA-N 1 2 363.333 3.193 20 5 FGBDLO Cc1cccn2cc(CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH+]c12 ZINC000534279235 504094195 /nfs/dbraw/zinc/09/41/95/504094195.db2.gz YWXUEFHSYVUDAJ-UHFFFAOYSA-N 1 2 364.405 3.285 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222260 504439567 /nfs/dbraw/zinc/43/95/67/504439567.db2.gz DBRWQVKXDNADHY-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO COc1cc(NCC=Cc2ccccc2[N+](=O)[O-])[nH+]cc1Br ZINC000539554823 504606391 /nfs/dbraw/zinc/60/63/91/504606391.db2.gz GMVJZRSMYWZCMD-XQRVVYSFSA-N 1 2 364.199 3.308 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000542863091 504639440 /nfs/dbraw/zinc/63/94/40/504639440.db2.gz ATCRCRFUVPYNMO-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559071296 504774002 /nfs/dbraw/zinc/77/40/02/504774002.db2.gz NYRHVIMSLGXBHM-CQSZACIVSA-N 1 2 358.394 3.112 20 5 FGBDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559071296 504774003 /nfs/dbraw/zinc/77/40/03/504774003.db2.gz NYRHVIMSLGXBHM-CQSZACIVSA-N 1 2 358.394 3.112 20 5 FGBDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549582384 504853986 /nfs/dbraw/zinc/85/39/86/504853986.db2.gz LMTKNMZODMKJHW-CHWSQXEVSA-N 1 2 373.375 3.221 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559503537 504877596 /nfs/dbraw/zinc/87/75/96/504877596.db2.gz WVZSRXUKBISVNQ-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559503537 504877598 /nfs/dbraw/zinc/87/75/98/504877598.db2.gz WVZSRXUKBISVNQ-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000549750680 504888304 /nfs/dbraw/zinc/88/83/04/504888304.db2.gz NEAJXCDMKLOWKC-CQSZACIVSA-N 1 2 355.394 3.151 20 5 FGBDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000549750680 504888307 /nfs/dbraw/zinc/88/83/07/504888307.db2.gz NEAJXCDMKLOWKC-CQSZACIVSA-N 1 2 355.394 3.151 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000565565482 504923645 /nfs/dbraw/zinc/92/36/45/504923645.db2.gz GASKVRXRRQWVJK-MELADBBJSA-N 1 2 371.441 3.291 20 5 FGBDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000553544966 504945695 /nfs/dbraw/zinc/94/56/95/504945695.db2.gz QFWDAINIHLXBTQ-GOSISDBHSA-N 1 2 364.405 3.199 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000565967995 505040670 /nfs/dbraw/zinc/04/06/70/505040670.db2.gz BKKFGEFBDAQKSQ-WBMJQRKESA-N 1 2 357.414 3.148 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3cccs3)c3nnc[nH]3)c2c1 ZINC000550820139 505108367 /nfs/dbraw/zinc/10/83/67/505108367.db2.gz XKPGCPXUQBSGGS-INIZCTEOSA-N 1 2 368.422 3.177 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cn2c1 ZINC000551728268 505293457 /nfs/dbraw/zinc/29/34/57/505293457.db2.gz MQYXVIRGZVZSMF-UHFFFAOYSA-N 1 2 350.334 3.227 20 5 FGBDLO Cn1cc(C[NH2+]Cc2nccc(C(F)F)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558122025 505313568 /nfs/dbraw/zinc/31/35/68/505313568.db2.gz USMGOANKKSAWEL-UHFFFAOYSA-N 1 2 374.351 3.013 20 5 FGBDLO Cc1cc(NCc2ccc3cnn(C)c3c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000555215950 505382240 /nfs/dbraw/zinc/38/22/40/505382240.db2.gz YJUMQHQKWWTUAT-UHFFFAOYSA-N 1 2 374.404 3.281 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567265240 505413025 /nfs/dbraw/zinc/41/30/25/505413025.db2.gz FUMBUVWEYOQNKO-OCCSQVGLSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567265240 505413030 /nfs/dbraw/zinc/41/30/30/505413030.db2.gz FUMBUVWEYOQNKO-OCCSQVGLSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000567297167 505421496 /nfs/dbraw/zinc/42/14/96/505421496.db2.gz OJECZMGEJLAIGS-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000555527710 505447047 /nfs/dbraw/zinc/44/70/47/505447047.db2.gz NATSZTJTHXWHCX-JTQLQIEISA-N 1 2 354.275 3.063 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000555527710 505447049 /nfs/dbraw/zinc/44/70/49/505447049.db2.gz NATSZTJTHXWHCX-JTQLQIEISA-N 1 2 354.275 3.063 20 5 FGBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000552415567 505487272 /nfs/dbraw/zinc/48/72/72/505487272.db2.gz KXBXGDXXXZADAX-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000558871455 505516265 /nfs/dbraw/zinc/51/62/65/505516265.db2.gz ORYWYAVNTWMLFJ-KGLIPLIRSA-N 1 2 364.409 3.025 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000558871455 505516270 /nfs/dbraw/zinc/51/62/70/505516270.db2.gz ORYWYAVNTWMLFJ-KGLIPLIRSA-N 1 2 364.409 3.025 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](CCF)C1 ZINC000596481021 506427110 /nfs/dbraw/zinc/42/71/10/506427110.db2.gz RYIBMWFJQQPWLK-OAHLLOKOSA-N 1 2 351.422 3.003 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000589117890 506448913 /nfs/dbraw/zinc/44/89/13/506448913.db2.gz UXJSDUARHXXKQJ-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CCCC1 ZINC000596531339 506449787 /nfs/dbraw/zinc/44/97/87/506449787.db2.gz WVZGPFMFNHZVNQ-IBGZPJMESA-N 1 2 363.458 3.044 20 5 FGBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1cccnc1 ZINC000596591856 506477558 /nfs/dbraw/zinc/47/75/58/506477558.db2.gz MGDRSFJOJXUSBZ-QZTJIDSGSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1cccnc1 ZINC000596591856 506477564 /nfs/dbraw/zinc/47/75/64/506477564.db2.gz MGDRSFJOJXUSBZ-QZTJIDSGSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1cccnc1 ZINC000596591855 506478356 /nfs/dbraw/zinc/47/83/56/506478356.db2.gz MGDRSFJOJXUSBZ-MSOLQXFVSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1cccnc1 ZINC000596591855 506478363 /nfs/dbraw/zinc/47/83/63/506478363.db2.gz MGDRSFJOJXUSBZ-MSOLQXFVSA-N 1 2 366.421 3.178 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000612346251 506537568 /nfs/dbraw/zinc/53/75/68/506537568.db2.gz PQWXCMGFDYYAHB-UHFFFAOYSA-N 1 2 369.406 3.432 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC000589494447 506568651 /nfs/dbraw/zinc/56/86/51/506568651.db2.gz NLSQKQCMIRUVDI-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC000589494447 506568656 /nfs/dbraw/zinc/56/86/56/506568656.db2.gz NLSQKQCMIRUVDI-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]CC(=O)NC2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411263 506569243 /nfs/dbraw/zinc/56/92/43/506569243.db2.gz JQABYGRUVLXKPH-FQEVSTJZSA-N 1 2 371.437 3.488 20 5 FGBDLO CCN(CC)c1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC000583220037 506657670 /nfs/dbraw/zinc/65/76/70/506657670.db2.gz FBOWTHXGSWNHCF-UHFFFAOYSA-N 1 2 358.427 3.453 20 5 FGBDLO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000608971827 506753916 /nfs/dbraw/zinc/75/39/16/506753916.db2.gz SOSLFRCBYYPJFO-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593734849 506754194 /nfs/dbraw/zinc/75/41/94/506754194.db2.gz GIWHVZVIZYLSGQ-UHFFFAOYSA-N 1 2 357.414 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2ccccc2CC1 ZINC000583421101 506769412 /nfs/dbraw/zinc/76/94/12/506769412.db2.gz BQNGQEFJHNZYLI-UHFFFAOYSA-N 1 2 367.449 3.032 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484249 506845199 /nfs/dbraw/zinc/84/51/99/506845199.db2.gz ISTJWZANFOZLHW-INIZCTEOSA-N 1 2 355.394 3.384 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484249 506845204 /nfs/dbraw/zinc/84/52/04/506845204.db2.gz ISTJWZANFOZLHW-INIZCTEOSA-N 1 2 355.394 3.384 20 5 FGBDLO COC(=O)c1c(Cl)c(Nc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000590568704 506863149 /nfs/dbraw/zinc/86/31/49/506863149.db2.gz AWCIDABKTANSLS-UHFFFAOYSA-N 1 2 350.762 3.239 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC(F)(F)CC1 ZINC000600253525 506875116 /nfs/dbraw/zinc/87/51/16/506875116.db2.gz FAMLTWZWAONFOU-UHFFFAOYSA-N 1 2 350.325 3.042 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000609495005 506899467 /nfs/dbraw/zinc/89/94/67/506899467.db2.gz ZNDRPAMORKTWLV-IBGZPJMESA-N 1 2 357.410 3.089 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057431 506912313 /nfs/dbraw/zinc/91/23/13/506912313.db2.gz DHLLXRCWGGSNEQ-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057431 506912316 /nfs/dbraw/zinc/91/23/16/506912316.db2.gz DHLLXRCWGGSNEQ-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609780775 506999751 /nfs/dbraw/zinc/99/97/51/506999751.db2.gz BJGHLTDKIOLPQR-UHFFFAOYSA-N 1 2 367.365 3.442 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cn2cccc(C)c2[nH+]1 ZINC000584000556 507095822 /nfs/dbraw/zinc/09/58/22/507095822.db2.gz LOMVRYSOHVYBIF-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)CC[N@@H+]3C)cc2)c([N+](=O)[O-])c1 ZINC000600783532 507120145 /nfs/dbraw/zinc/12/01/45/507120145.db2.gz DTHMBBSXSNQZOQ-SFHVURJKSA-N 1 2 368.389 3.384 20 5 FGBDLO COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)CC[N@H+]3C)cc2)c([N+](=O)[O-])c1 ZINC000600783532 507120152 /nfs/dbraw/zinc/12/01/52/507120152.db2.gz DTHMBBSXSNQZOQ-SFHVURJKSA-N 1 2 368.389 3.384 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940285 507187852 /nfs/dbraw/zinc/18/78/52/507187852.db2.gz HLMSTKKBFNGRAH-UHFFFAOYSA-N 1 2 354.410 3.137 20 5 FGBDLO CCC(O)(CC)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597946068 507192154 /nfs/dbraw/zinc/19/21/54/507192154.db2.gz ZKIGOOFLKWLZBS-UHFFFAOYSA-N 1 2 374.441 3.088 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH+]c12 ZINC000610434677 507236988 /nfs/dbraw/zinc/23/69/88/507236988.db2.gz GQLRKCSKGRMBQH-UHFFFAOYSA-N 1 2 364.361 3.270 20 5 FGBDLO CCOC(=O)Cc1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000591892630 507398582 /nfs/dbraw/zinc/39/85/82/507398582.db2.gz JPSKNZUDXLIXKQ-UHFFFAOYSA-N 1 2 368.393 3.003 20 5 FGBDLO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598460744 507436158 /nfs/dbraw/zinc/43/61/58/507436158.db2.gz XDJNEYGURYBAFI-AWEZNQCLSA-N 1 2 371.441 3.056 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293343 507451474 /nfs/dbraw/zinc/45/14/74/507451474.db2.gz LGCCPUUOSJOKAF-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293343 507451484 /nfs/dbraw/zinc/45/14/84/507451484.db2.gz LGCCPUUOSJOKAF-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595344277 507465999 /nfs/dbraw/zinc/46/59/99/507465999.db2.gz LBWZJMPPZZEGEM-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595344277 507466004 /nfs/dbraw/zinc/46/60/04/507466004.db2.gz LBWZJMPPZZEGEM-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO COc1ccc(F)cc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000614656485 507605095 /nfs/dbraw/zinc/60/50/95/507605095.db2.gz KIEHYPKGMHNRFB-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO CCC1(O)CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611306318 507614693 /nfs/dbraw/zinc/61/46/93/507614693.db2.gz IIZUIDXCRDDSAC-UHFFFAOYSA-N 1 2 356.426 3.278 20 5 FGBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2n1CCCCC2 ZINC000595799510 507693076 /nfs/dbraw/zinc/69/30/76/507693076.db2.gz LXBONCLBNDDLLU-ZDUSSCGKSA-N 1 2 369.429 3.030 20 5 FGBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nnc2n1CCCCC2 ZINC000595809270 507697031 /nfs/dbraw/zinc/69/70/31/507697031.db2.gz SRVBDNXEDDXBGM-OAHLLOKOSA-N 1 2 359.430 3.162 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000595827700 507703629 /nfs/dbraw/zinc/70/36/29/507703629.db2.gz FLIAVMDWAFPGSW-ZDUSSCGKSA-N 1 2 358.398 3.098 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588070834 507752651 /nfs/dbraw/zinc/75/26/51/507752651.db2.gz XBCWYHYNGAWWTQ-UHFFFAOYSA-N 1 2 357.757 3.140 20 5 FGBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000738358495 598352090 /nfs/dbraw/zinc/35/20/90/598352090.db2.gz MMLVWEJJXZTDOD-UHFFFAOYSA-N 1 2 366.385 3.268 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CC1 ZINC000826500033 608532661 /nfs/dbraw/zinc/53/26/61/608532661.db2.gz IXRDXJHARAXAFB-UHFFFAOYSA-N 1 2 356.411 3.001 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CC1 ZINC000826500033 608532663 /nfs/dbraw/zinc/53/26/63/608532663.db2.gz IXRDXJHARAXAFB-UHFFFAOYSA-N 1 2 356.411 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000173419158 705458532 /nfs/dbraw/zinc/45/85/32/705458532.db2.gz MYUKRJZRYWAEIN-UHFFFAOYSA-N 1 2 355.320 3.085 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182197260 705829631 /nfs/dbraw/zinc/82/96/31/705829631.db2.gz NZGJFICUMMEAJI-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182197260 705829634 /nfs/dbraw/zinc/82/96/34/705829634.db2.gz NZGJFICUMMEAJI-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO C[C@H](c1ccsc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088342 723477871 /nfs/dbraw/zinc/47/78/71/723477871.db2.gz SCXFPOHKUJNKNR-KDOFPFPSSA-N 1 2 361.467 3.069 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000746662717 722612980 /nfs/dbraw/zinc/61/29/80/722612980.db2.gz GVEDNPKQSUZYRQ-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000746662717 722612982 /nfs/dbraw/zinc/61/29/82/722612982.db2.gz GVEDNPKQSUZYRQ-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000756814418 722970409 /nfs/dbraw/zinc/97/04/09/722970409.db2.gz ZIXOTNCOUXYGFY-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO O=C(O[C@H](C1CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000761263801 723138041 /nfs/dbraw/zinc/13/80/41/723138041.db2.gz VRJBXDWWNLMJAE-CYBMUJFWSA-N 1 2 355.272 3.278 20 5 FGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770010640 723703184 /nfs/dbraw/zinc/70/31/84/723703184.db2.gz INCZCKVVRHVFEO-UHFFFAOYSA-N 1 2 363.805 3.145 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605993 723841301 /nfs/dbraw/zinc/84/13/01/723841301.db2.gz WUAPWBRFASEOQD-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605993 723841305 /nfs/dbraw/zinc/84/13/05/723841305.db2.gz WUAPWBRFASEOQD-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O2 ZINC000797605990 723841583 /nfs/dbraw/zinc/84/15/83/723841583.db2.gz WUAPWBRFASEOQD-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O2 ZINC000797605990 723841587 /nfs/dbraw/zinc/84/15/87/723841587.db2.gz WUAPWBRFASEOQD-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO CCc1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813174292 726846445 /nfs/dbraw/zinc/84/64/45/726846445.db2.gz WCXXINSFVALOPY-AWEZNQCLSA-N 1 2 361.423 3.045 20 5 FGBDLO CCc1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813174292 726846448 /nfs/dbraw/zinc/84/64/48/726846448.db2.gz WCXXINSFVALOPY-AWEZNQCLSA-N 1 2 361.423 3.045 20 5 FGBDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000814033525 726933494 /nfs/dbraw/zinc/93/34/94/726933494.db2.gz BUTRXGJVHLRDSQ-RISCZKNCSA-N 1 2 362.348 3.297 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000829504710 729485846 /nfs/dbraw/zinc/48/58/46/729485846.db2.gz IMEYOBYZUGHGTF-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2cccnc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000829504710 729485848 /nfs/dbraw/zinc/48/58/48/729485848.db2.gz IMEYOBYZUGHGTF-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H](C)C1(F)F ZINC000863272876 732936820 /nfs/dbraw/zinc/93/68/20/732936820.db2.gz DIKOUWSPEBMTQE-TXEJJXNPSA-N 1 2 351.357 3.034 20 5 FGBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H](C)C1(F)F ZINC000863272876 732936824 /nfs/dbraw/zinc/93/68/24/732936824.db2.gz DIKOUWSPEBMTQE-TXEJJXNPSA-N 1 2 351.357 3.034 20 5 FGBDLO COc1nsc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000877729939 736710688 /nfs/dbraw/zinc/71/06/88/736710688.db2.gz GSJAAIOLXRUGSJ-UHFFFAOYSA-N 1 2 372.244 3.421 20 5 FGBDLO CSC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000879097980 736954533 /nfs/dbraw/zinc/95/45/33/736954533.db2.gz PTBQXHPDPJQTAN-SNVBAGLBSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961601 737091116 /nfs/dbraw/zinc/09/11/16/737091116.db2.gz GVWUCSYZTYDYAA-NEPJUHHUSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961601 737091119 /nfs/dbraw/zinc/09/11/19/737091119.db2.gz GVWUCSYZTYDYAA-NEPJUHHUSA-N 1 2 369.849 3.058 20 5 FGBDLO CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000888796414 739578106 /nfs/dbraw/zinc/57/81/06/739578106.db2.gz JZDLNZUTGNRNIO-CYBMUJFWSA-N 1 2 360.439 3.185 20 5 FGBDLO COc1c(O)ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000892929264 740059717 /nfs/dbraw/zinc/05/97/17/740059717.db2.gz NZMXVYRCEPZAFZ-UHFFFAOYSA-N 1 2 351.428 3.353 20 5 FGBDLO C[C@@H](CC(=O)OCc1cc([N+](=O)[O-])ccc1Br)n1cc[nH+]c1 ZINC000922843896 759014084 /nfs/dbraw/zinc/01/40/84/759014084.db2.gz XAQPRYOZIKTUOM-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000927122243 759898301 /nfs/dbraw/zinc/89/83/01/759898301.db2.gz SJJFHTCZARBCSO-NSHDSACASA-N 1 2 363.439 3.374 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932179492 761073114 /nfs/dbraw/zinc/07/31/14/761073114.db2.gz ISCKZQPPAJVLOD-GFCCVEGCSA-N 1 2 363.439 3.396 20 5 FGBDLO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000016032153 211153023 /nfs/dbraw/zinc/15/30/23/211153023.db2.gz HDBIUAYYEHWAGA-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO CC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000016023357 211152810 /nfs/dbraw/zinc/15/28/10/211152810.db2.gz KDRMMVUWYPHXDD-UHFFFAOYSA-N 1 2 350.334 3.235 20 5 FGBDLO Cc1cc(C)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C)[nH+]1 ZINC000097263031 222172092 /nfs/dbraw/zinc/17/20/92/222172092.db2.gz JMLLZTKBPUNWHR-UHFFFAOYSA-N 1 2 351.366 3.353 20 5 FGBDLO CCc1noc(C)c1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000571230522 505684442 /nfs/dbraw/zinc/68/44/42/505684442.db2.gz ZJRSNCVSYCAPCW-QGZVFWFLSA-N 1 2 355.398 3.066 20 5 FGBDLO CSc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000030298815 493884766 /nfs/dbraw/zinc/88/47/66/493884766.db2.gz DKIWBEYEXHQTSA-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000060060536 493913282 /nfs/dbraw/zinc/91/32/82/493913282.db2.gz SOUOGYAKQGGRHZ-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031089536 493923940 /nfs/dbraw/zinc/92/39/40/493923940.db2.gz YNJLBGVUJYMLQT-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076612852 493934453 /nfs/dbraw/zinc/93/44/53/493934453.db2.gz HSGHWEWLPXUEAQ-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076612852 493934457 /nfs/dbraw/zinc/93/44/57/493934457.db2.gz HSGHWEWLPXUEAQ-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050964815 493940416 /nfs/dbraw/zinc/94/04/16/493940416.db2.gz WVQJOHPULLSVPT-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000031900729 493965243 /nfs/dbraw/zinc/96/52/43/493965243.db2.gz WIVSUVKPIUKUFM-OAHLLOKOSA-N 1 2 374.397 3.357 20 5 FGBDLO Cc1ccccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488614 493993238 /nfs/dbraw/zinc/99/32/38/493993238.db2.gz LENUBOCEHOKNQZ-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)on1 ZINC000052009087 493998904 /nfs/dbraw/zinc/99/89/04/493998904.db2.gz HHRVOPCXYFTUCG-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)on1 ZINC000052009087 493998907 /nfs/dbraw/zinc/99/89/07/493998907.db2.gz HHRVOPCXYFTUCG-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000574110783 505695573 /nfs/dbraw/zinc/69/55/73/505695573.db2.gz FKFJGLFWBUJRFM-CQSZACIVSA-N 1 2 354.410 3.010 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000063257462 494036807 /nfs/dbraw/zinc/03/68/07/494036807.db2.gz YWYUXDILWLXIGX-UHFFFAOYSA-N 1 2 360.439 3.171 20 5 FGBDLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052723714 494056858 /nfs/dbraw/zinc/05/68/58/494056858.db2.gz AVOWMWBATAWTBA-UHFFFAOYSA-N 1 2 352.394 3.075 20 5 FGBDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008005646 494059961 /nfs/dbraw/zinc/05/99/61/494059961.db2.gz PAWVELBGTMNJCG-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008005646 494059962 /nfs/dbraw/zinc/05/99/62/494059962.db2.gz PAWVELBGTMNJCG-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000085620790 494134883 /nfs/dbraw/zinc/13/48/83/494134883.db2.gz IGUGRZSDPVHQFZ-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO Cc1sc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000053509677 494141048 /nfs/dbraw/zinc/14/10/48/494141048.db2.gz MMALGNPLOVLMLW-UHFFFAOYSA-N 1 2 360.439 3.280 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087005067 494161688 /nfs/dbraw/zinc/16/16/88/494161688.db2.gz ABZDAZVBJNBBKE-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000087034433 494163990 /nfs/dbraw/zinc/16/39/90/494163990.db2.gz SBVLSBQMZCOGNR-LJQANCHMSA-N 1 2 364.405 3.167 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000042349012 494218958 /nfs/dbraw/zinc/21/89/58/494218958.db2.gz XLERMSBISQNMDG-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605556 494252373 /nfs/dbraw/zinc/25/23/73/494252373.db2.gz CCLSCJSZIJKIRU-ZIAGYGMSSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605556 494252375 /nfs/dbraw/zinc/25/23/75/494252375.db2.gz CCLSCJSZIJKIRU-ZIAGYGMSSA-N 1 2 371.412 3.358 20 5 FGBDLO Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072905811 494280549 /nfs/dbraw/zinc/28/05/49/494280549.db2.gz ZFARVTMUELOPMS-KRWDZBQOSA-N 1 2 365.393 3.096 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599532 494327417 /nfs/dbraw/zinc/32/74/17/494327417.db2.gz XGFCTYAOJINLEE-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599532 494327422 /nfs/dbraw/zinc/32/74/22/494327422.db2.gz XGFCTYAOJINLEE-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000078892477 494377099 /nfs/dbraw/zinc/37/70/99/494377099.db2.gz WAZJWHACCZHCML-UHFFFAOYSA-N 1 2 355.272 3.492 20 5 FGBDLO Cc1sc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000055644815 494380307 /nfs/dbraw/zinc/38/03/07/494380307.db2.gz FGCLLCUJQAKEGS-UHFFFAOYSA-N 1 2 365.480 3.027 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000018235968 494430732 /nfs/dbraw/zinc/43/07/32/494430732.db2.gz HTWVMSDQEIIFHG-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000018237070 494430932 /nfs/dbraw/zinc/43/09/32/494430932.db2.gz QMCHJDOHOMZIQQ-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341593 494517397 /nfs/dbraw/zinc/51/73/97/494517397.db2.gz CDMMSOFQYDZPLB-GJZGRUSLSA-N 1 2 369.421 3.456 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091081338 494526786 /nfs/dbraw/zinc/52/67/86/494526786.db2.gz ZROBYICSSKBMOD-INIZCTEOSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091081338 494526790 /nfs/dbraw/zinc/52/67/90/494526790.db2.gz ZROBYICSSKBMOD-INIZCTEOSA-N 1 2 357.414 3.019 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000067429289 494539916 /nfs/dbraw/zinc/53/99/16/494539916.db2.gz NFFNYYGEWWPQEG-UHFFFAOYSA-N 1 2 372.406 3.144 20 5 FGBDLO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126290049 494699253 /nfs/dbraw/zinc/69/92/53/494699253.db2.gz JMTOOAZMPYJSAU-BLLLJJGKSA-N 1 2 362.817 3.097 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025527626 494753029 /nfs/dbraw/zinc/75/30/29/494753029.db2.gz WVVOFFGQHLKUQS-ZDUSSCGKSA-N 1 2 370.434 3.082 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126482002 494766712 /nfs/dbraw/zinc/76/67/12/494766712.db2.gz MDAYYFMMPUHAOF-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126482002 494766715 /nfs/dbraw/zinc/76/67/15/494766715.db2.gz MDAYYFMMPUHAOF-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000116443129 494787415 /nfs/dbraw/zinc/78/74/15/494787415.db2.gz FEVNFMXPJHJXMM-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000026371051 494823294 /nfs/dbraw/zinc/82/32/94/494823294.db2.gz LJIVXYGPYCGSRM-LLVKDONJSA-N 1 2 372.406 3.370 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000116894264 494868617 /nfs/dbraw/zinc/86/86/17/494868617.db2.gz ZEHHNJHRMGUGHC-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000116894264 494868621 /nfs/dbraw/zinc/86/86/21/494868621.db2.gz ZEHHNJHRMGUGHC-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OC ZINC000093338363 494874222 /nfs/dbraw/zinc/87/42/22/494874222.db2.gz ABGYHYHLUGPAEQ-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OC ZINC000093338363 494874226 /nfs/dbraw/zinc/87/42/26/494874226.db2.gz ABGYHYHLUGPAEQ-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO CS[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000117212805 494900424 /nfs/dbraw/zinc/90/04/24/494900424.db2.gz GLHNRTLNHQDBJH-KBPBESRZSA-N 1 2 360.439 3.185 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000093608054 494902333 /nfs/dbraw/zinc/90/23/33/494902333.db2.gz AEDXWWFDHVJXPP-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000128018084 495031183 /nfs/dbraw/zinc/03/11/83/495031183.db2.gz SHJNCOVDHLBPSM-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000128018084 495031186 /nfs/dbraw/zinc/03/11/86/495031186.db2.gz SHJNCOVDHLBPSM-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c[nH+]1 ZINC000122924068 495053873 /nfs/dbraw/zinc/05/38/73/495053873.db2.gz ZKIBRNJGKUBAIK-UHFFFAOYSA-N 1 2 373.413 3.166 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122952258 495058319 /nfs/dbraw/zinc/05/83/19/495058319.db2.gz AVGIJDKAARKVFV-UHFFFAOYSA-N 1 2 350.378 3.232 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccsc2C1 ZINC000134014499 495094161 /nfs/dbraw/zinc/09/41/61/495094161.db2.gz PDBGGINPWBLTKX-UHFFFAOYSA-N 1 2 354.391 3.041 20 5 FGBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000111692462 495095734 /nfs/dbraw/zinc/09/57/34/495095734.db2.gz QNSNLUNHJFJCNC-UHFFFAOYSA-N 1 2 350.396 3.034 20 5 FGBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000111692462 495095739 /nfs/dbraw/zinc/09/57/39/495095739.db2.gz QNSNLUNHJFJCNC-UHFFFAOYSA-N 1 2 350.396 3.034 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000135239198 495267692 /nfs/dbraw/zinc/26/76/92/495267692.db2.gz SZXGRZHLEXMMIQ-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000135239198 495267696 /nfs/dbraw/zinc/26/76/96/495267696.db2.gz SZXGRZHLEXMMIQ-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120219157 495329708 /nfs/dbraw/zinc/32/97/08/495329708.db2.gz SHQSNAGXBVRNGD-OAHLLOKOSA-N 1 2 356.382 3.292 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000130096776 495340452 /nfs/dbraw/zinc/34/04/52/495340452.db2.gz RXELTYXUFFARBW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000130096776 495340454 /nfs/dbraw/zinc/34/04/54/495340454.db2.gz RXELTYXUFFARBW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000130144038 495347916 /nfs/dbraw/zinc/34/79/16/495347916.db2.gz BFIYXPICMPXXNL-UHFFFAOYSA-N 1 2 372.425 3.483 20 5 FGBDLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000130144038 495347919 /nfs/dbraw/zinc/34/79/19/495347919.db2.gz BFIYXPICMPXXNL-UHFFFAOYSA-N 1 2 372.425 3.483 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(CC(F)F)CC3)o2)c1 ZINC000120585550 495410595 /nfs/dbraw/zinc/41/05/95/495410595.db2.gz NEKAQBPFPJNRPC-UHFFFAOYSA-N 1 2 351.353 3.238 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130575312 495413915 /nfs/dbraw/zinc/41/39/15/495413915.db2.gz LYZPNXOLMBWLLV-HNNXBMFYSA-N 1 2 368.397 3.322 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130575312 495413918 /nfs/dbraw/zinc/41/39/18/495413918.db2.gz LYZPNXOLMBWLLV-HNNXBMFYSA-N 1 2 368.397 3.322 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000140321172 495493984 /nfs/dbraw/zinc/49/39/84/495493984.db2.gz MLOYWXGNSNWRKA-SFHVURJKSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000140321172 495493987 /nfs/dbraw/zinc/49/39/87/495493987.db2.gz MLOYWXGNSNWRKA-SFHVURJKSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140936460 495500774 /nfs/dbraw/zinc/50/07/74/495500774.db2.gz HGSWLEVDXGUVHY-UHFFFAOYSA-N 1 2 364.409 3.433 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] ZINC000179677261 495688073 /nfs/dbraw/zinc/68/80/73/495688073.db2.gz CYDMKFKHRNJVDN-ZDUSSCGKSA-N 1 2 352.394 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)nc2c1 ZINC000159497487 495745633 /nfs/dbraw/zinc/74/56/33/495745633.db2.gz SBRDZAQNFOKANK-FQEVSTJZSA-N 1 2 365.389 3.410 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)nc2c1 ZINC000159497487 495745638 /nfs/dbraw/zinc/74/56/38/495745638.db2.gz SBRDZAQNFOKANK-FQEVSTJZSA-N 1 2 365.389 3.410 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159594727 495766682 /nfs/dbraw/zinc/76/66/82/495766682.db2.gz SCECBVNTHNUSDA-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159594727 495766692 /nfs/dbraw/zinc/76/66/92/495766692.db2.gz SCECBVNTHNUSDA-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179913211 495780489 /nfs/dbraw/zinc/78/04/89/495780489.db2.gz HAYYLYOQHDHYPT-GFCCVEGCSA-N 1 2 361.373 3.340 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000174240407 495877172 /nfs/dbraw/zinc/87/71/72/495877172.db2.gz FOKNMDGRKCHJIR-HNNXBMFYSA-N 1 2 368.437 3.071 20 5 FGBDLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245553 495879876 /nfs/dbraw/zinc/87/98/76/495879876.db2.gz IVPVQOUFLUNJHB-CYBMUJFWSA-N 1 2 350.415 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164669 495880403 /nfs/dbraw/zinc/88/04/03/495880403.db2.gz UTGXWRHHEXTETD-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164669 495880410 /nfs/dbraw/zinc/88/04/10/495880410.db2.gz UTGXWRHHEXTETD-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000174248393 495880940 /nfs/dbraw/zinc/88/09/40/495880940.db2.gz GWQKJSOUBYSOMX-UHFFFAOYSA-N 1 2 370.365 3.281 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183229453 495889229 /nfs/dbraw/zinc/88/92/29/495889229.db2.gz IKNNHSSQJVGOGX-UHFFFAOYSA-N 1 2 352.394 3.162 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183229453 495889235 /nfs/dbraw/zinc/88/92/35/495889235.db2.gz IKNNHSSQJVGOGX-UHFFFAOYSA-N 1 2 352.394 3.162 20 5 FGBDLO Cc1cccn2cc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000186196146 495893025 /nfs/dbraw/zinc/89/30/25/495893025.db2.gz JAWZTVAMQTWZOL-GFCCVEGCSA-N 1 2 356.357 3.110 20 5 FGBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000155296208 495909052 /nfs/dbraw/zinc/90/90/52/495909052.db2.gz WWEOHBNOUVJGGN-LLVKDONJSA-N 1 2 360.801 3.439 20 5 FGBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000155310160 495914049 /nfs/dbraw/zinc/91/40/49/495914049.db2.gz FTOGYJNFTKKGAG-UHFFFAOYSA-N 1 2 351.422 3.299 20 5 FGBDLO O=C(C[N@@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171620071 495950896 /nfs/dbraw/zinc/95/08/96/495950896.db2.gz KBIKCWVJPMURNI-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO O=C(C[N@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171620071 495950901 /nfs/dbraw/zinc/95/09/01/495950901.db2.gz KBIKCWVJPMURNI-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000571809099 505818756 /nfs/dbraw/zinc/81/87/56/505818756.db2.gz CPIMYBSVZYZTPE-UHFFFAOYSA-N 1 2 367.365 3.442 20 5 FGBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000161142147 496112833 /nfs/dbraw/zinc/11/28/33/496112833.db2.gz FNUADFVSDIRMCG-GFCCVEGCSA-N 1 2 362.817 3.492 20 5 FGBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000161142147 496112840 /nfs/dbraw/zinc/11/28/40/496112840.db2.gz FNUADFVSDIRMCG-GFCCVEGCSA-N 1 2 362.817 3.492 20 5 FGBDLO CCCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000174853612 496134264 /nfs/dbraw/zinc/13/42/64/496134264.db2.gz IZWAIOZARQNMKA-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000174853612 496134267 /nfs/dbraw/zinc/13/42/67/496134267.db2.gz IZWAIOZARQNMKA-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000174879183 496145983 /nfs/dbraw/zinc/14/59/83/496145983.db2.gz NKEFSWVMEZYANF-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000174879183 496145984 /nfs/dbraw/zinc/14/59/84/496145984.db2.gz NKEFSWVMEZYANF-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3nccs3)CCCC2)c2c(c1)COCO2 ZINC000172076870 496155250 /nfs/dbraw/zinc/15/52/50/496155250.db2.gz XFDSZLSLWAKFLN-UHFFFAOYSA-N 1 2 361.423 3.477 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000161547072 496196140 /nfs/dbraw/zinc/19/61/40/496196140.db2.gz JRXQCHSIWZIKSP-UHFFFAOYSA-N 1 2 366.421 3.310 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161661948 496217112 /nfs/dbraw/zinc/21/71/12/496217112.db2.gz IIWBTUWAGUGNNF-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO COc1cc(CNc2[nH+]c3cccc(Cl)c3n2C)c([N+](=O)[O-])cc1O ZINC000184310570 496330416 /nfs/dbraw/zinc/33/04/16/496330416.db2.gz VMZRVECWXWKCME-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000181414858 496385921 /nfs/dbraw/zinc/38/59/21/496385921.db2.gz OGNGXRYYITXLPN-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187331561 496396436 /nfs/dbraw/zinc/39/64/36/496396436.db2.gz SAAIRSMZBIBAAR-CRAIPNDOSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1Cl ZINC000153297018 496411760 /nfs/dbraw/zinc/41/17/60/496411760.db2.gz AAHHMQVUAYXEQS-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1Cl ZINC000153297018 496411763 /nfs/dbraw/zinc/41/17/63/496411763.db2.gz AAHHMQVUAYXEQS-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153374352 496434400 /nfs/dbraw/zinc/43/44/00/496434400.db2.gz YULGQQROUMWZHE-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153374352 496434406 /nfs/dbraw/zinc/43/44/06/496434406.db2.gz YULGQQROUMWZHE-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000175561292 496442701 /nfs/dbraw/zinc/44/27/01/496442701.db2.gz AGVMGQUGOOWGKU-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153491030 496473439 /nfs/dbraw/zinc/47/34/39/496473439.db2.gz OIWYNJLMOYXROK-UHFFFAOYSA-N 1 2 352.144 3.013 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000181689132 496504234 /nfs/dbraw/zinc/50/42/34/496504234.db2.gz WZTZKVYNJIJQTR-MRXNPFEDSA-N 1 2 354.366 3.122 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153617148 496519212 /nfs/dbraw/zinc/51/92/12/496519212.db2.gz SDSWCMOLUHLHJH-OAHLLOKOSA-N 1 2 371.441 3.432 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000184777082 496527672 /nfs/dbraw/zinc/52/76/72/496527672.db2.gz RZHGSNLZWATULT-INIZCTEOSA-N 1 2 366.421 3.436 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000181810417 496554750 /nfs/dbraw/zinc/55/47/50/496554750.db2.gz IZCUJERPISBPQT-SNVBAGLBSA-N 1 2 353.325 3.451 20 5 FGBDLO C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184983490 496610773 /nfs/dbraw/zinc/61/07/73/496610773.db2.gz KJUJTHRFCUABSI-LBPRGKRZSA-N 1 2 371.422 3.113 20 5 FGBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185090016 496656114 /nfs/dbraw/zinc/65/61/14/496656114.db2.gz SCONFTCYENPLNI-CMPLNLGQSA-N 1 2 364.427 3.128 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000574858815 505871004 /nfs/dbraw/zinc/87/10/04/505871004.db2.gz BWJFHMJYKLUJJK-UHFFFAOYSA-N 1 2 354.366 3.441 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000273811845 496916181 /nfs/dbraw/zinc/91/61/81/496916181.db2.gz DJBTWTXSUJRPMF-DYVFJYSZSA-N 1 2 374.416 3.318 20 5 FGBDLO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000273915264 496955901 /nfs/dbraw/zinc/95/59/01/496955901.db2.gz ATMYKCCTZVLWOG-LBPRGKRZSA-N 1 2 360.439 3.356 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000248474274 497022453 /nfs/dbraw/zinc/02/24/53/497022453.db2.gz LQWZPJZYGAQBGG-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000248474274 497022456 /nfs/dbraw/zinc/02/24/56/497022456.db2.gz LQWZPJZYGAQBGG-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC=C(C(F)(F)F)CC3)o2)cc1 ZINC000270342275 497105342 /nfs/dbraw/zinc/10/53/42/497105342.db2.gz USHROBZEDNHMMX-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC=C(C(F)(F)F)CC3)o2)cc1 ZINC000270342275 497105345 /nfs/dbraw/zinc/10/53/45/497105345.db2.gz USHROBZEDNHMMX-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192491007 497131031 /nfs/dbraw/zinc/13/10/31/497131031.db2.gz ZDSLABBVRFRTKM-HUUCEWRRSA-N 1 2 362.455 3.143 20 5 FGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192491007 497131037 /nfs/dbraw/zinc/13/10/37/497131037.db2.gz ZDSLABBVRFRTKM-HUUCEWRRSA-N 1 2 362.455 3.143 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](CO)O1 ZINC000248932691 497136891 /nfs/dbraw/zinc/13/68/91/497136891.db2.gz BMZXDUROIPSGTK-RISCZKNCSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](CO)O1 ZINC000248932691 497136894 /nfs/dbraw/zinc/13/68/94/497136894.db2.gz BMZXDUROIPSGTK-RISCZKNCSA-N 1 2 366.801 3.090 20 5 FGBDLO Cc1cc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000274864006 497185278 /nfs/dbraw/zinc/18/52/78/497185278.db2.gz ZZSPQBIILORGTK-UHFFFAOYSA-N 1 2 371.319 3.326 20 5 FGBDLO Cc1nn(C)c(C)c1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266388432 497324596 /nfs/dbraw/zinc/32/45/96/497324596.db2.gz NSTMMARTNKOYLM-UHFFFAOYSA-N 1 2 352.398 3.323 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000193340724 497355233 /nfs/dbraw/zinc/35/52/33/497355233.db2.gz RQLPWZSQEFNXQC-UHFFFAOYSA-N 1 2 362.817 3.400 20 5 FGBDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000266536512 497365535 /nfs/dbraw/zinc/36/55/35/497365535.db2.gz OJXGJNJPVGHUPF-MLGOLLRUSA-N 1 2 358.394 3.222 20 5 FGBDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000266536512 497365536 /nfs/dbraw/zinc/36/55/36/497365536.db2.gz OJXGJNJPVGHUPF-MLGOLLRUSA-N 1 2 358.394 3.222 20 5 FGBDLO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cc1[N+](=O)[O-] ZINC000279231490 497375175 /nfs/dbraw/zinc/37/51/75/497375175.db2.gz QHOCWPMSEWYWGQ-KRWDZBQOSA-N 1 2 368.437 3.493 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC000279881752 497575087 /nfs/dbraw/zinc/57/50/87/497575087.db2.gz UKCREVJGSINBDV-CQSZACIVSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC000279881752 497575090 /nfs/dbraw/zinc/57/50/90/497575090.db2.gz UKCREVJGSINBDV-CQSZACIVSA-N 1 2 373.409 3.020 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955463 497659397 /nfs/dbraw/zinc/65/93/97/497659397.db2.gz ANGGKEMEWCVCSZ-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955463 497659401 /nfs/dbraw/zinc/65/94/01/497659401.db2.gz ANGGKEMEWCVCSZ-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276826460 497665295 /nfs/dbraw/zinc/66/52/95/497665295.db2.gz AKLNCTAQVBDGPX-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO CCOc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276826460 497665300 /nfs/dbraw/zinc/66/53/00/497665300.db2.gz AKLNCTAQVBDGPX-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268133373 497684517 /nfs/dbraw/zinc/68/45/17/497684517.db2.gz LOORBXRMBQDLEW-LLVKDONJSA-N 1 2 363.805 3.061 20 5 FGBDLO COc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000268175048 497693156 /nfs/dbraw/zinc/69/31/56/497693156.db2.gz JWAZKJDGHQRFQC-ZDUSSCGKSA-N 1 2 360.389 3.021 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000295857645 497832427 /nfs/dbraw/zinc/83/24/27/497832427.db2.gz KKYXFJGYDIRQJV-HNNXBMFYSA-N 1 2 353.382 3.033 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000572322110 505941056 /nfs/dbraw/zinc/94/10/56/505941056.db2.gz NRPCTILXNIYIHK-OAHLLOKOSA-N 1 2 357.414 3.220 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000296028815 497896648 /nfs/dbraw/zinc/89/66/48/497896648.db2.gz RVEKIZXFTMWGDE-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000296028815 497896652 /nfs/dbraw/zinc/89/66/52/497896652.db2.gz RVEKIZXFTMWGDE-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO O=C(CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000569480722 505945065 /nfs/dbraw/zinc/94/50/65/505945065.db2.gz YAVPQFZHGVDPCB-UHFFFAOYSA-N 1 2 367.396 3.098 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000578473556 505947784 /nfs/dbraw/zinc/94/77/84/505947784.db2.gz ZVGIGVKFFOSHIF-UHFFFAOYSA-N 1 2 369.425 3.474 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc2O1 ZINC000292349812 497980725 /nfs/dbraw/zinc/98/07/25/497980725.db2.gz HHWIYTOKCCOEQB-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc2O1 ZINC000292349812 497980734 /nfs/dbraw/zinc/98/07/34/497980734.db2.gz HHWIYTOKCCOEQB-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301183936 497988793 /nfs/dbraw/zinc/98/87/93/497988793.db2.gz OLHBRNHJSJTOIB-UHFFFAOYSA-N 1 2 368.437 3.418 20 5 FGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc[nH+]1 ZINC000301243073 498016560 /nfs/dbraw/zinc/01/65/60/498016560.db2.gz KKDPUBUOMRRSFC-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000364615201 498052321 /nfs/dbraw/zinc/05/23/21/498052321.db2.gz VHYZXNNLVKJTKE-CHWSQXEVSA-N 1 2 360.389 3.036 20 5 FGBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000301451247 498116274 /nfs/dbraw/zinc/11/62/74/498116274.db2.gz UGVKJCFCBOBPJB-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO C[S@@](=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285660768 498162504 /nfs/dbraw/zinc/16/25/04/498162504.db2.gz PAMOQTAWKULBQJ-UPCLLVRISA-N 1 2 354.378 3.082 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301579612 498172816 /nfs/dbraw/zinc/17/28/16/498172816.db2.gz ZZMJFYCHEBNVLU-UHFFFAOYSA-N 1 2 354.208 3.217 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000360056472 498240818 /nfs/dbraw/zinc/24/08/18/498240818.db2.gz IXHVUNPZQIPXPX-UHFFFAOYSA-N 1 2 354.341 3.064 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)c1 ZINC000289726946 498266919 /nfs/dbraw/zinc/26/69/19/498266919.db2.gz DDTKHOAOSOAEFI-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)c1 ZINC000289726946 498266924 /nfs/dbraw/zinc/26/69/24/498266924.db2.gz DDTKHOAOSOAEFI-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000360536098 498282831 /nfs/dbraw/zinc/28/28/31/498282831.db2.gz HXUDCBBEPTVHIX-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000281852118 498291654 /nfs/dbraw/zinc/29/16/54/498291654.db2.gz YIKMAVOVDMRWIH-QGZVFWFLSA-N 1 2 371.441 3.291 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859735 498298414 /nfs/dbraw/zinc/29/84/14/498298414.db2.gz DEUWXNFESGSFCL-HOTGVXAUSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859735 498298415 /nfs/dbraw/zinc/29/84/15/498298415.db2.gz DEUWXNFESGSFCL-HOTGVXAUSA-N 1 2 362.817 3.127 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281889304 498306830 /nfs/dbraw/zinc/30/68/30/498306830.db2.gz DPMSGITZKPQFHU-INIZCTEOSA-N 1 2 368.437 3.076 20 5 FGBDLO COCc1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000289833066 498314171 /nfs/dbraw/zinc/31/41/71/498314171.db2.gz OMASGBFSZBIBJF-UHFFFAOYSA-N 1 2 359.354 3.089 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281964111 498336196 /nfs/dbraw/zinc/33/61/96/498336196.db2.gz NHJSVQIYHZYVKE-BBRMVZONSA-N 1 2 373.413 3.305 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1[C@@H]1CCCO1 ZINC000289982332 498380837 /nfs/dbraw/zinc/38/08/37/498380837.db2.gz XXBQDGFZHGHJKA-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1[C@@H]1CCCO1 ZINC000289982332 498380844 /nfs/dbraw/zinc/38/08/44/498380844.db2.gz XXBQDGFZHGHJKA-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000365612583 498557372 /nfs/dbraw/zinc/55/73/72/498557372.db2.gz SQBSSTSAUAFTJD-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000365612583 498557380 /nfs/dbraw/zinc/55/73/80/498557380.db2.gz SQBSSTSAUAFTJD-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CSc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000365621856 498561051 /nfs/dbraw/zinc/56/10/51/498561051.db2.gz AOYZDRWJHLAXLY-ZDUSSCGKSA-N 1 2 360.439 3.070 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000570067572 506083171 /nfs/dbraw/zinc/08/31/71/506083171.db2.gz XAOHHIPNUMPHRR-UHFFFAOYSA-N 1 2 373.425 3.024 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294764109 498796131 /nfs/dbraw/zinc/79/61/31/498796131.db2.gz FGNXQIBNEDFAMM-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291137013 498811043 /nfs/dbraw/zinc/81/10/43/498811043.db2.gz FMQUQBPLGUVSFY-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291137013 498811048 /nfs/dbraw/zinc/81/10/48/498811048.db2.gz FMQUQBPLGUVSFY-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc1Br ZINC000291214490 498847419 /nfs/dbraw/zinc/84/74/19/498847419.db2.gz IVYDVWIOKNVHMQ-GFCCVEGCSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)ccc1Br ZINC000291214490 498847425 /nfs/dbraw/zinc/84/74/25/498847425.db2.gz IVYDVWIOKNVHMQ-GFCCVEGCSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000327669258 498861975 /nfs/dbraw/zinc/86/19/75/498861975.db2.gz KVSBOGCDBKLSRV-OAHLLOKOSA-N 1 2 364.398 3.051 20 5 FGBDLO Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000573077009 506113524 /nfs/dbraw/zinc/11/35/24/506113524.db2.gz PNBBHHAIONYZJO-WKILWMFISA-N 1 2 354.410 3.451 20 5 FGBDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000570209990 506115211 /nfs/dbraw/zinc/11/52/11/506115211.db2.gz ZYUSWMYROCMSDA-UHFFFAOYSA-N 1 2 354.366 3.281 20 5 FGBDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000570209990 506115215 /nfs/dbraw/zinc/11/52/15/506115215.db2.gz ZYUSWMYROCMSDA-UHFFFAOYSA-N 1 2 354.366 3.281 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295604104 499061601 /nfs/dbraw/zinc/06/16/01/499061601.db2.gz XNYHCVUQVUFVRG-YPMHNXCESA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295604104 499061604 /nfs/dbraw/zinc/06/16/04/499061604.db2.gz XNYHCVUQVUFVRG-YPMHNXCESA-N 1 2 369.849 3.058 20 5 FGBDLO CCc1nc([C@H]2CCC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)no1 ZINC000364059122 499103283 /nfs/dbraw/zinc/10/32/83/499103283.db2.gz WDLBLQAUDMXQME-NSHDSACASA-N 1 2 364.377 3.068 20 5 FGBDLO CCc1nc([C@H]2CCC[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)no1 ZINC000364059122 499103285 /nfs/dbraw/zinc/10/32/85/499103285.db2.gz WDLBLQAUDMXQME-NSHDSACASA-N 1 2 364.377 3.068 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000372532855 499141570 /nfs/dbraw/zinc/14/15/70/499141570.db2.gz JPKRDSNLLYHQHK-JKSUJKDBSA-N 1 2 358.398 3.126 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000372532855 499141573 /nfs/dbraw/zinc/14/15/73/499141573.db2.gz JPKRDSNLLYHQHK-JKSUJKDBSA-N 1 2 358.398 3.126 20 5 FGBDLO CC(C)n1cc(C[N@@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000370894130 499267991 /nfs/dbraw/zinc/26/79/91/499267991.db2.gz YREYZDJGJKTXIX-UHFFFAOYSA-N 1 2 357.458 3.080 20 5 FGBDLO CC(C)n1cc(C[N@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000370894130 499267993 /nfs/dbraw/zinc/26/79/93/499267993.db2.gz YREYZDJGJKTXIX-UHFFFAOYSA-N 1 2 357.458 3.080 20 5 FGBDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000368164047 499270541 /nfs/dbraw/zinc/27/05/41/499270541.db2.gz BNRLIBBBQGSZRP-MRXNPFEDSA-N 1 2 364.833 3.258 20 5 FGBDLO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000368391906 499291840 /nfs/dbraw/zinc/29/18/40/499291840.db2.gz YTGBFHXQTCNVBM-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[nH+]1 ZINC000371247986 499302370 /nfs/dbraw/zinc/30/23/70/499302370.db2.gz SJTSFCOGPMIXAL-UHFFFAOYSA-N 1 2 368.397 3.135 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CC(Cc4ccccc4F)C3)o2)cc1 ZINC000371342978 499313309 /nfs/dbraw/zinc/31/33/09/499313309.db2.gz DOPYFMWHOJBTMY-UHFFFAOYSA-N 1 2 368.368 3.458 20 5 FGBDLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000368760947 499329102 /nfs/dbraw/zinc/32/91/02/499329102.db2.gz IFOKASZDZJIBFZ-KRWDZBQOSA-N 1 2 361.373 3.300 20 5 FGBDLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000368760947 499329104 /nfs/dbraw/zinc/32/91/04/499329104.db2.gz IFOKASZDZJIBFZ-KRWDZBQOSA-N 1 2 361.373 3.300 20 5 FGBDLO CSc1cccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000368878885 499342693 /nfs/dbraw/zinc/34/26/93/499342693.db2.gz FQAJVBWGYVVNKJ-LBPRGKRZSA-N 1 2 360.439 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)s1 ZINC000373158579 499454378 /nfs/dbraw/zinc/45/43/78/499454378.db2.gz LSZRYSOIKYMUFM-LLVKDONJSA-N 1 2 357.395 3.485 20 5 FGBDLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000373226991 499458631 /nfs/dbraw/zinc/45/86/31/499458631.db2.gz DVHJSYJXTREFSA-UHFFFAOYSA-N 1 2 373.457 3.139 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752911 499486419 /nfs/dbraw/zinc/48/64/19/499486419.db2.gz ZMSLJRYUIFEUIU-YJBOKZPZSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752911 499486420 /nfs/dbraw/zinc/48/64/20/499486420.db2.gz ZMSLJRYUIFEUIU-YJBOKZPZSA-N 1 2 370.405 3.425 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCC2 ZINC000377821461 499738879 /nfs/dbraw/zinc/73/88/79/499738879.db2.gz OLGCZGZGONYPEW-LLVKDONJSA-N 1 2 363.805 3.452 20 5 FGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377886251 499745488 /nfs/dbraw/zinc/74/54/88/499745488.db2.gz ZQESYSBOVNJGGF-UHFFFAOYSA-N 1 2 363.805 3.145 20 5 FGBDLO COC(=O)c1cc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000421109682 499958589 /nfs/dbraw/zinc/95/85/89/499958589.db2.gz PNXNLFYYRSRZKR-UHFFFAOYSA-N 1 2 372.381 3.023 20 5 FGBDLO Cn1cc[nH+]c1[C@H](N[C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417341352 500044820 /nfs/dbraw/zinc/04/48/20/500044820.db2.gz BMKCAOQUVSBKNV-RTBURBONSA-N 1 2 364.405 3.279 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000421430442 500045601 /nfs/dbraw/zinc/04/56/01/500045601.db2.gz XOAVOQLKYHFQEX-UHFFFAOYSA-N 1 2 354.410 3.137 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000421434325 500047264 /nfs/dbraw/zinc/04/72/64/500047264.db2.gz SZIXYYWMSLMWRV-UHFFFAOYSA-N 1 2 354.410 3.005 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000430212253 500210234 /nfs/dbraw/zinc/21/02/34/500210234.db2.gz ZWAXRMRPCAUOQS-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000430212253 500210235 /nfs/dbraw/zinc/21/02/35/500210235.db2.gz ZWAXRMRPCAUOQS-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc[nH+]c1N(C)C ZINC000427992367 500455847 /nfs/dbraw/zinc/45/58/47/500455847.db2.gz MPCGGYVUFSJUIU-UHFFFAOYSA-N 1 2 364.789 3.108 20 5 FGBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000428864474 500567482 /nfs/dbraw/zinc/56/74/82/500567482.db2.gz BXNOEXZMLHCFSL-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000428864474 500567484 /nfs/dbraw/zinc/56/74/84/500567484.db2.gz BXNOEXZMLHCFSL-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@@H]3CCCO[C@@H]3c3ccccc3)[nH]c2c1 ZINC000447675484 500643414 /nfs/dbraw/zinc/64/34/14/500643414.db2.gz BBWNZFIXDPGPJP-KBXCAEBGSA-N 1 2 352.394 3.473 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H]1c1cccnc1 ZINC000447804836 500666029 /nfs/dbraw/zinc/66/60/29/500666029.db2.gz GUZZPMJJOBMQRJ-SFHVURJKSA-N 1 2 368.437 3.164 20 5 FGBDLO CO[C@@]1(C)C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000447808605 500666834 /nfs/dbraw/zinc/66/68/34/500666834.db2.gz VUBPATRUJYKZQE-HKUYNNGSSA-N 1 2 363.458 3.043 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])cc1OC ZINC000443062908 500672768 /nfs/dbraw/zinc/67/27/68/500672768.db2.gz CEUXVCOPLMPSOE-UHFFFAOYSA-N 1 2 360.414 3.157 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])cc1OC ZINC000443062908 500672771 /nfs/dbraw/zinc/67/27/71/500672771.db2.gz CEUXVCOPLMPSOE-UHFFFAOYSA-N 1 2 360.414 3.157 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121912 500683447 /nfs/dbraw/zinc/68/34/47/500683447.db2.gz XZTMJRSLRSIJQK-UKRRQHHQSA-N 1 2 371.441 3.435 20 5 FGBDLO C[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000602570018 506220611 /nfs/dbraw/zinc/22/06/11/506220611.db2.gz RCYKVKIHWRMSIX-IUCAKERBSA-N 1 2 360.277 3.134 20 5 FGBDLO C[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000602570018 506220613 /nfs/dbraw/zinc/22/06/13/506220613.db2.gz RCYKVKIHWRMSIX-IUCAKERBSA-N 1 2 360.277 3.134 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444979741 500928854 /nfs/dbraw/zinc/92/88/54/500928854.db2.gz AUMPNJDLWKYQPJ-UHFFFAOYSA-N 1 2 360.417 3.040 20 5 FGBDLO Cc1cc(OCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000435677023 501009815 /nfs/dbraw/zinc/00/98/15/501009815.db2.gz BAXHAWCPLASGOA-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000445819570 501036948 /nfs/dbraw/zinc/03/69/48/501036948.db2.gz PTWRFQHFJDMWPO-GABYWQGASA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000445819570 501036950 /nfs/dbraw/zinc/03/69/50/501036950.db2.gz PTWRFQHFJDMWPO-GABYWQGASA-N 1 2 370.409 3.464 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823670 501037636 /nfs/dbraw/zinc/03/76/36/501037636.db2.gz HXIKYHHXSUHSHY-HPRJGHKQSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823670 501037642 /nfs/dbraw/zinc/03/76/42/501037642.db2.gz HXIKYHHXSUHSHY-HPRJGHKQSA-N 1 2 356.382 3.074 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824612 501037787 /nfs/dbraw/zinc/03/77/87/501037787.db2.gz NMIOBYQWBKYDMJ-JINBKUQRSA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824612 501037789 /nfs/dbraw/zinc/03/77/89/501037789.db2.gz NMIOBYQWBKYDMJ-JINBKUQRSA-N 1 2 370.409 3.464 20 5 FGBDLO CCCCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000440835819 501055191 /nfs/dbraw/zinc/05/51/91/501055191.db2.gz VEORSUWCVKBIHL-UHFFFAOYSA-N 1 2 372.425 3.202 20 5 FGBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)Nc2ncc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000450386764 501108451 /nfs/dbraw/zinc/10/84/51/501108451.db2.gz FQSDAIAFNTUISB-MRXNPFEDSA-N 1 2 352.398 3.360 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000436366435 501115182 /nfs/dbraw/zinc/11/51/82/501115182.db2.gz JZHITIBXGNBTMP-OAHLLOKOSA-N 1 2 372.428 3.424 20 5 FGBDLO CN(C)c1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)[nH+]c2ccccc21 ZINC000450540008 501148805 /nfs/dbraw/zinc/14/88/05/501148805.db2.gz NHOXPGATRCQWEG-UHFFFAOYSA-N 1 2 365.393 3.003 20 5 FGBDLO COCC[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450687046 501186135 /nfs/dbraw/zinc/18/61/35/501186135.db2.gz WLUHSVDTNKFDHY-OAHLLOKOSA-N 1 2 372.425 3.059 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949939 506239779 /nfs/dbraw/zinc/23/97/79/506239779.db2.gz XPPUQHLMTPEZJE-LBPRGKRZSA-N 1 2 360.439 3.037 20 5 FGBDLO CS[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450178872 501202305 /nfs/dbraw/zinc/20/23/05/501202305.db2.gz BMNHFHPGEIZBSI-AWEZNQCLSA-N 1 2 360.439 3.138 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598948164 506240927 /nfs/dbraw/zinc/24/09/27/506240927.db2.gz QCKIYPSZRKDCLO-LBPRGKRZSA-N 1 2 360.439 3.038 20 5 FGBDLO COC(=O)Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000450247853 501218455 /nfs/dbraw/zinc/21/84/55/501218455.db2.gz ZRERLQSXDRDIFS-UHFFFAOYSA-N 1 2 356.382 3.049 20 5 FGBDLO Cc1cc(C)c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC000455513515 501322439 /nfs/dbraw/zinc/32/24/39/501322439.db2.gz IRTNSNQSAKEWDO-UHFFFAOYSA-N 1 2 356.382 3.342 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Br ZINC000602679492 506259303 /nfs/dbraw/zinc/25/93/03/506259303.db2.gz FNXRPMMTRCOQQO-CYBMUJFWSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Br ZINC000602679492 506259307 /nfs/dbraw/zinc/25/93/07/506259307.db2.gz FNXRPMMTRCOQQO-CYBMUJFWSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1Br ZINC000602696297 506264916 /nfs/dbraw/zinc/26/49/16/506264916.db2.gz XQAHBMPWSINMDU-SNVBAGLBSA-N 1 2 363.277 3.403 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1Br ZINC000602696297 506264920 /nfs/dbraw/zinc/26/49/20/506264920.db2.gz XQAHBMPWSINMDU-SNVBAGLBSA-N 1 2 363.277 3.403 20 5 FGBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459703655 501701263 /nfs/dbraw/zinc/70/12/63/501701263.db2.gz GNEQNQPHJBACTG-ZDUSSCGKSA-N 1 2 355.822 3.078 20 5 FGBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459703655 501701265 /nfs/dbraw/zinc/70/12/65/501701265.db2.gz GNEQNQPHJBACTG-ZDUSSCGKSA-N 1 2 355.822 3.078 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485740716 501921380 /nfs/dbraw/zinc/92/13/80/501921380.db2.gz XNQBXUAOMQIAIM-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485740716 501921382 /nfs/dbraw/zinc/92/13/82/501921382.db2.gz XNQBXUAOMQIAIM-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO O=C(c1ccoc1)N1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599024104 506283432 /nfs/dbraw/zinc/28/34/32/506283432.db2.gz YWNGCOGMWQLYJB-UHFFFAOYSA-N 1 2 366.377 3.453 20 5 FGBDLO CO[C@H](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(F)(F)F ZINC000468736326 502164051 /nfs/dbraw/zinc/16/40/51/502164051.db2.gz BMVFCFYVCSCMQM-CYBMUJFWSA-N 1 2 370.331 3.161 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479129392 502172029 /nfs/dbraw/zinc/17/20/29/502172029.db2.gz PMZZVDXICRAMDG-ZBFHGGJFSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479129392 502172034 /nfs/dbraw/zinc/17/20/34/502172034.db2.gz PMZZVDXICRAMDG-ZBFHGGJFSA-N 1 2 369.421 3.247 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476917904 502619808 /nfs/dbraw/zinc/61/98/08/502619808.db2.gz PTAOTJZTAISFRJ-GFCCVEGCSA-N 1 2 366.377 3.286 20 5 FGBDLO CCc1nsc(N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000470184126 502700224 /nfs/dbraw/zinc/70/02/24/502700224.db2.gz UAEGAAQAJVOQQN-SDNWHVSQSA-N 1 2 373.482 3.234 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000470201400 502703811 /nfs/dbraw/zinc/70/38/11/502703811.db2.gz HOZAKDFTPLYFAP-LGMDPLHJSA-N 1 2 352.438 3.211 20 5 FGBDLO COc1ccc(OC)c(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000474160855 502816766 /nfs/dbraw/zinc/81/67/66/502816766.db2.gz WJSUBHFYMYTOPL-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO COc1ccc(OC)c(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000474160855 502816768 /nfs/dbraw/zinc/81/67/68/502816768.db2.gz WJSUBHFYMYTOPL-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000599139901 506341576 /nfs/dbraw/zinc/34/15/76/506341576.db2.gz NLTWYCFWLMOCJV-QGZVFWFLSA-N 1 2 369.421 3.492 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000599139901 506341577 /nfs/dbraw/zinc/34/15/77/506341577.db2.gz NLTWYCFWLMOCJV-QGZVFWFLSA-N 1 2 369.421 3.492 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000514128863 503094807 /nfs/dbraw/zinc/09/48/07/503094807.db2.gz OWMBCNUFDNHNTG-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000514128863 503094811 /nfs/dbraw/zinc/09/48/11/503094811.db2.gz OWMBCNUFDNHNTG-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511096974 503253078 /nfs/dbraw/zinc/25/30/78/503253078.db2.gz SEZWRHYKDBDSCJ-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511096974 503253082 /nfs/dbraw/zinc/25/30/82/503253082.db2.gz SEZWRHYKDBDSCJ-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507242782 503257796 /nfs/dbraw/zinc/25/77/96/503257796.db2.gz NTNIIYQKDRAXIU-CQSZACIVSA-N 1 2 366.364 3.135 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507242782 503257801 /nfs/dbraw/zinc/25/78/01/503257801.db2.gz NTNIIYQKDRAXIU-CQSZACIVSA-N 1 2 366.364 3.135 20 5 FGBDLO COc1cccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599180742 506362757 /nfs/dbraw/zinc/36/27/57/506362757.db2.gz YJPBTJAHROPQDA-UHFFFAOYSA-N 1 2 366.421 3.407 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593055895 506364287 /nfs/dbraw/zinc/36/42/87/506364287.db2.gz SYUMSOCHFCQWSZ-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593055895 506364299 /nfs/dbraw/zinc/36/42/99/506364299.db2.gz SYUMSOCHFCQWSZ-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055827 506364399 /nfs/dbraw/zinc/36/43/99/506364399.db2.gz ROHPVMMNSZXTPS-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055827 506364408 /nfs/dbraw/zinc/36/44/08/506364408.db2.gz ROHPVMMNSZXTPS-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c([N+](=O)[O-])cc1O ZINC000503282098 503383516 /nfs/dbraw/zinc/38/35/16/503383516.db2.gz IZJHLDKLYCGTGI-UHFFFAOYSA-N 1 2 361.398 3.171 20 5 FGBDLO CCn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000602962867 506368836 /nfs/dbraw/zinc/36/88/36/506368836.db2.gz PUDZHNIEGXZTSQ-LJQANCHMSA-N 1 2 372.400 3.101 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)n1 ZINC000511856898 503401291 /nfs/dbraw/zinc/40/12/91/503401291.db2.gz BLLUMFJYIGTFBI-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499942992 503516537 /nfs/dbraw/zinc/51/65/37/503516537.db2.gz ZFHJZTFXAGBBQZ-AWEZNQCLSA-N 1 2 354.765 3.219 20 5 FGBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000508561027 503519802 /nfs/dbraw/zinc/51/98/02/503519802.db2.gz ODVCKWSHCNUCEW-UHFFFAOYSA-N 1 2 367.365 3.024 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000517094026 503665825 /nfs/dbraw/zinc/66/58/25/503665825.db2.gz HJSVQUZEJKJHJE-UHFFFAOYSA-N 1 2 370.453 3.095 20 5 FGBDLO COc1ccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH]c2n1 ZINC000546227458 503678736 /nfs/dbraw/zinc/67/87/36/503678736.db2.gz JJEANZNUJNAGGX-UHFFFAOYSA-N 1 2 353.382 3.039 20 5 FGBDLO COc1ccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH]c2n1 ZINC000546227458 503678741 /nfs/dbraw/zinc/67/87/41/503678741.db2.gz JJEANZNUJNAGGX-UHFFFAOYSA-N 1 2 353.382 3.039 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000533025757 503704045 /nfs/dbraw/zinc/70/40/45/503704045.db2.gz CRJUSCGJOONNSK-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000533025757 503704051 /nfs/dbraw/zinc/70/40/51/503704051.db2.gz CRJUSCGJOONNSK-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533366884 503819683 /nfs/dbraw/zinc/81/96/83/503819683.db2.gz VWULBIVAJTWLTP-INIZCTEOSA-N 1 2 354.410 3.028 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533366884 503819685 /nfs/dbraw/zinc/81/96/85/503819685.db2.gz VWULBIVAJTWLTP-INIZCTEOSA-N 1 2 354.410 3.028 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238893 504054728 /nfs/dbraw/zinc/05/47/28/504054728.db2.gz YKWQHAUUCFQJFY-UHFFFAOYSA-N 1 2 370.453 3.443 20 5 FGBDLO CCOC(=O)C[C@H](C)N(C)c1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542259424 504427036 /nfs/dbraw/zinc/42/70/36/504427036.db2.gz MHTSKUOLOJXHHC-ZDUSSCGKSA-N 1 2 372.425 3.392 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000548586025 504486209 /nfs/dbraw/zinc/48/62/09/504486209.db2.gz GDGHCODRRGYEMS-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000542610759 504552713 /nfs/dbraw/zinc/55/27/13/504552713.db2.gz CUFGHEYZVZTAPJ-CYBMUJFWSA-N 1 2 353.382 3.035 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000542971181 504677492 /nfs/dbraw/zinc/67/74/92/504677492.db2.gz IOXHSZAKDOZLPG-UHFFFAOYSA-N 1 2 366.377 3.238 20 5 FGBDLO Cc1c(Br)cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000565107450 504795245 /nfs/dbraw/zinc/79/52/45/504795245.db2.gz LSGDHFVJTXUNDT-UHFFFAOYSA-N 1 2 367.203 3.054 20 5 FGBDLO COc1ccc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000549367126 504801909 /nfs/dbraw/zinc/80/19/09/504801909.db2.gz ZDMOTBWUITWXOP-UHFFFAOYSA-N 1 2 358.394 3.352 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000556384712 504860513 /nfs/dbraw/zinc/86/05/13/504860513.db2.gz DLBVFSPTIZMUGT-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000565607901 504936066 /nfs/dbraw/zinc/93/60/66/504936066.db2.gz MYBAQCGJOXLFJN-UHFFFAOYSA-N 1 2 367.352 3.048 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000565623788 504940469 /nfs/dbraw/zinc/94/04/69/504940469.db2.gz VHJZKPYLCWQHLR-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000556732169 504956370 /nfs/dbraw/zinc/95/63/70/504956370.db2.gz CKBXHDOKPWNOJA-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000565967992 505040802 /nfs/dbraw/zinc/04/08/02/505040802.db2.gz BKKFGEFBDAQKSQ-BLLLJJGKSA-N 1 2 357.414 3.148 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2n1C ZINC000557078473 505060734 /nfs/dbraw/zinc/06/07/34/505060734.db2.gz UVXZAQGDCZCAER-UHFFFAOYSA-N 1 2 352.394 3.105 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000560722356 505169966 /nfs/dbraw/zinc/16/99/66/505169966.db2.gz MHFDKZQJLMINHT-UHFFFAOYSA-N 1 2 366.421 3.208 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@](F)(c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557694500 505205708 /nfs/dbraw/zinc/20/57/08/505205708.db2.gz OQRKATALTPJBNU-FQEVSTJZSA-N 1 2 369.396 3.055 20 5 FGBDLO O=C(C[N@H+]1CC[C@@](F)(c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557694500 505205713 /nfs/dbraw/zinc/20/57/13/505205713.db2.gz OQRKATALTPJBNU-FQEVSTJZSA-N 1 2 369.396 3.055 20 5 FGBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557697391 505206661 /nfs/dbraw/zinc/20/66/61/505206661.db2.gz VIENQTSRVTVMLT-LVGQOLGVSA-N 1 2 366.421 3.220 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000555010639 505328350 /nfs/dbraw/zinc/32/83/50/505328350.db2.gz CITXPKHIJVZMGL-UHFFFAOYSA-N 1 2 353.382 3.435 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000558846099 505509139 /nfs/dbraw/zinc/50/91/39/505509139.db2.gz LQZABCMMZIJWPB-UHFFFAOYSA-N 1 2 354.366 3.287 20 5 FGBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000552712267 505541461 /nfs/dbraw/zinc/54/14/61/505541461.db2.gz RIILCZXZVVERDX-UHFFFAOYSA-N 1 2 364.405 3.154 20 5 FGBDLO CCn1c(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)[nH+]c2cc(F)ccc21 ZINC000567849414 505568126 /nfs/dbraw/zinc/56/81/26/505568126.db2.gz YEVMTGDVPZEFFH-UHFFFAOYSA-N 1 2 370.384 3.192 20 5 FGBDLO Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2c1 ZINC000599541087 506491254 /nfs/dbraw/zinc/49/12/54/506491254.db2.gz AZQVYUGGXIVKRZ-UHFFFAOYSA-N 1 2 352.394 3.304 20 5 FGBDLO COC(=O)c1cnc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000599554640 506498110 /nfs/dbraw/zinc/49/81/10/506498110.db2.gz KGZYGLTZEFTCCQ-UHFFFAOYSA-N 1 2 367.452 3.279 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000589503818 506572675 /nfs/dbraw/zinc/57/26/75/506572675.db2.gz WTTFLPNTHUECQV-UHFFFAOYSA-N 1 2 362.426 3.307 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000589503818 506572678 /nfs/dbraw/zinc/57/26/78/506572678.db2.gz WTTFLPNTHUECQV-UHFFFAOYSA-N 1 2 362.426 3.307 20 5 FGBDLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000583243897 506670915 /nfs/dbraw/zinc/67/09/15/506670915.db2.gz HXAPDGRYOFGNDM-DOMZBBRYSA-N 1 2 366.377 3.427 20 5 FGBDLO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000604016045 506687082 /nfs/dbraw/zinc/68/70/82/506687082.db2.gz FCUNWXARIOJCTN-UHFFFAOYSA-N 1 2 367.365 3.215 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599992632 506739899 /nfs/dbraw/zinc/73/98/99/506739899.db2.gz ZPRPQOMBXRVMGV-VIFPVBQESA-N 1 2 367.203 3.065 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH+]c2c1 ZINC000604198423 506746690 /nfs/dbraw/zinc/74/66/90/506746690.db2.gz JWOBNZCAIWAIGS-UHFFFAOYSA-N 1 2 350.334 3.227 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203442 506812908 /nfs/dbraw/zinc/81/29/08/506812908.db2.gz BKBRQARWTLZELY-KRWDZBQOSA-N 1 2 363.458 3.215 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203442 506812912 /nfs/dbraw/zinc/81/29/12/506812912.db2.gz BKBRQARWTLZELY-KRWDZBQOSA-N 1 2 363.458 3.215 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000613229127 506982622 /nfs/dbraw/zinc/98/26/22/506982622.db2.gz WXESHWJFGFMTDV-QGZVFWFLSA-N 1 2 367.449 3.296 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613231565 506984445 /nfs/dbraw/zinc/98/44/45/506984445.db2.gz MAMCWQVLQIXFDV-SJLPKXTDSA-N 1 2 356.426 3.224 20 5 FGBDLO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000597703335 507067787 /nfs/dbraw/zinc/06/77/87/507067787.db2.gz DPQSCOZQLQSEKB-UHFFFAOYSA-N 1 2 361.442 3.027 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000610060924 507085622 /nfs/dbraw/zinc/08/56/22/507085622.db2.gz JMGZOLREUFVUJB-UHFFFAOYSA-N 1 2 370.453 3.430 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594521914 507170652 /nfs/dbraw/zinc/17/06/52/507170652.db2.gz VPVFMHFZCDPIGI-ZWKOTPCHSA-N 1 2 370.453 3.499 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1 ZINC000610273969 507171790 /nfs/dbraw/zinc/17/17/90/507171790.db2.gz NCNUIOBFQRBMRU-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO CCC(C)(C)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000594593456 507200664 /nfs/dbraw/zinc/20/06/64/507200664.db2.gz CXDSBGDGJZURHL-UHFFFAOYSA-N 1 2 357.252 3.063 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000610458850 507248333 /nfs/dbraw/zinc/24/83/33/507248333.db2.gz WPKALLFYXACLPR-CQSZACIVSA-N 1 2 367.409 3.154 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000601105706 507262982 /nfs/dbraw/zinc/26/29/82/507262982.db2.gz NEWMZRGWOFREDK-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610644673 507331177 /nfs/dbraw/zinc/33/11/77/507331177.db2.gz ICFVFBDTWZBIOW-GDBMZVCRSA-N 1 2 357.414 3.207 20 5 FGBDLO CCOC(=O)Cc1ccc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000591941423 507420097 /nfs/dbraw/zinc/42/00/97/507420097.db2.gz JHCWGGYVWMIXCK-UHFFFAOYSA-N 1 2 357.410 3.449 20 5 FGBDLO COc1ccc(CC(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000610887783 507432137 /nfs/dbraw/zinc/43/21/37/507432137.db2.gz NQNXNUGUMYEARF-UHFFFAOYSA-N 1 2 366.377 3.483 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291619 507448232 /nfs/dbraw/zinc/44/82/32/507448232.db2.gz KPWOSJQIAMKACV-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291619 507448240 /nfs/dbraw/zinc/44/82/40/507448240.db2.gz KPWOSJQIAMKACV-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000595286146 507448603 /nfs/dbraw/zinc/44/86/03/507448603.db2.gz CUUUEVKTMAHRQL-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000595286146 507448611 /nfs/dbraw/zinc/44/86/11/507448611.db2.gz CUUUEVKTMAHRQL-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO Cc1noc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000595289595 507448834 /nfs/dbraw/zinc/44/88/34/507448834.db2.gz FRQKBKXXDQPZHF-UHFFFAOYSA-N 1 2 365.336 3.264 20 5 FGBDLO Cc1noc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000595396628 507481051 /nfs/dbraw/zinc/48/10/51/507481051.db2.gz NNRJJSNFGCLNRC-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO CCc1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130676 507495440 /nfs/dbraw/zinc/49/54/40/507495440.db2.gz IAUGPMGECVWTOW-WKILWMFISA-N 1 2 359.426 3.451 20 5 FGBDLO CCc1cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130676 507495443 /nfs/dbraw/zinc/49/54/43/507495443.db2.gz IAUGPMGECVWTOW-WKILWMFISA-N 1 2 359.426 3.451 20 5 FGBDLO COc1ccccc1C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000592143306 507505086 /nfs/dbraw/zinc/50/50/86/507505086.db2.gz UFZUXSWUYKAEIL-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO COC(=O)c1ccnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000598625144 507521455 /nfs/dbraw/zinc/52/14/55/507521455.db2.gz LOGLRCADIPRDNV-JOCQHMNTSA-N 1 2 371.397 3.007 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976444 507536296 /nfs/dbraw/zinc/53/62/96/507536296.db2.gz QFFVJKCXZSDTSB-GWCFXTLKSA-N 1 2 368.340 3.062 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601976444 507536304 /nfs/dbraw/zinc/53/63/04/507536304.db2.gz QFFVJKCXZSDTSB-GWCFXTLKSA-N 1 2 368.340 3.062 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000611276572 507601663 /nfs/dbraw/zinc/60/16/63/507601663.db2.gz LTATZCGGFCPBTE-UWVGGRQHSA-N 1 2 358.238 3.473 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135167 507604709 /nfs/dbraw/zinc/60/47/09/507604709.db2.gz YGCWFSAUJGTEIC-IFXJQAMLSA-N 1 2 369.421 3.055 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135167 507604712 /nfs/dbraw/zinc/60/47/12/507604712.db2.gz YGCWFSAUJGTEIC-IFXJQAMLSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555136 507737340 /nfs/dbraw/zinc/73/73/40/507737340.db2.gz ONEGSZNNMMBDJM-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555136 507737343 /nfs/dbraw/zinc/73/73/43/507737343.db2.gz ONEGSZNNMMBDJM-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175510418 705550288 /nfs/dbraw/zinc/55/02/88/705550288.db2.gz NCFUXWVFQILIQF-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729473215 722459784 /nfs/dbraw/zinc/45/97/84/722459784.db2.gz SJTRDDDNIIAFKO-INIZCTEOSA-N 1 2 350.415 3.109 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000729473215 722459785 /nfs/dbraw/zinc/45/97/85/722459785.db2.gz SJTRDDDNIIAFKO-INIZCTEOSA-N 1 2 350.415 3.109 20 5 FGBDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000730571593 722469342 /nfs/dbraw/zinc/46/93/42/722469342.db2.gz YKQBLXCSIIRHJB-UHFFFAOYSA-N 1 2 355.460 3.488 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000735490912 722516721 /nfs/dbraw/zinc/51/67/21/722516721.db2.gz VCRAXIJELCBOED-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000735490912 722516722 /nfs/dbraw/zinc/51/67/22/722516722.db2.gz VCRAXIJELCBOED-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000749811820 722742873 /nfs/dbraw/zinc/74/28/73/722742873.db2.gz SDWUDZWTYNAMAZ-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000749811820 722742875 /nfs/dbraw/zinc/74/28/75/722742875.db2.gz SDWUDZWTYNAMAZ-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603418 722816053 /nfs/dbraw/zinc/81/60/53/722816053.db2.gz DKLFXFNUBMMEHR-DGCLKSJQSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603418 722816055 /nfs/dbraw/zinc/81/60/55/722816055.db2.gz DKLFXFNUBMMEHR-DGCLKSJQSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603420 722816061 /nfs/dbraw/zinc/81/60/61/722816061.db2.gz DKLFXFNUBMMEHR-YPMHNXCESA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603420 722816062 /nfs/dbraw/zinc/81/60/62/722816062.db2.gz DKLFXFNUBMMEHR-YPMHNXCESA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095381 723121298 /nfs/dbraw/zinc/12/12/98/723121298.db2.gz OSEIQKCYAUHCCA-HCKVZZMMSA-N 1 2 358.423 3.140 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095381 723121306 /nfs/dbraw/zinc/12/13/06/723121306.db2.gz OSEIQKCYAUHCCA-HCKVZZMMSA-N 1 2 358.423 3.140 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000765490323 723517014 /nfs/dbraw/zinc/51/70/14/723517014.db2.gz LVUYCHXSFKHYTC-LLVKDONJSA-N 1 2 364.789 3.073 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662299 723539210 /nfs/dbraw/zinc/53/92/10/723539210.db2.gz QXGNOEBKONCLSU-ZWNOBZJWSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662299 723539211 /nfs/dbraw/zinc/53/92/11/723539211.db2.gz QXGNOEBKONCLSU-ZWNOBZJWSA-N 1 2 355.320 3.084 20 5 FGBDLO Cc1cc(C)cc(C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000766094279 723555496 /nfs/dbraw/zinc/55/54/96/723555496.db2.gz VWVGCUYJANEBAW-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO Cc1cc(C)cc(C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000766094279 723555498 /nfs/dbraw/zinc/55/54/98/723555498.db2.gz VWVGCUYJANEBAW-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(Cl)nc4ccccn43)nc2c1 ZINC000775179831 723968879 /nfs/dbraw/zinc/96/88/79/723968879.db2.gz SFAXAJAXXRYLKT-UHFFFAOYSA-N 1 2 356.773 3.062 20 5 FGBDLO O=C(OCc1ncc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675204 724929525 /nfs/dbraw/zinc/92/95/25/724929525.db2.gz DWNDVIGQIOAEKV-UHFFFAOYSA-N 1 2 364.770 3.247 20 5 FGBDLO CN(C)c1cc(COc2cc([N+](=O)[O-])ccc2Br)cc[nH+]1 ZINC000786743248 724998381 /nfs/dbraw/zinc/99/83/81/724998381.db2.gz CQEJLCGDLYBVPD-UHFFFAOYSA-N 1 2 352.188 3.397 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788847131 725091543 /nfs/dbraw/zinc/09/15/43/725091543.db2.gz AAGBZFJWEOUIEJ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788847131 725091545 /nfs/dbraw/zinc/09/15/45/725091545.db2.gz AAGBZFJWEOUIEJ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000809940401 725277180 /nfs/dbraw/zinc/27/71/80/725277180.db2.gz HOKWPBIGIABQHS-UHFFFAOYSA-N 1 2 361.225 3.487 20 5 FGBDLO O=C(OC[C@@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816394625 727157951 /nfs/dbraw/zinc/15/79/51/727157951.db2.gz XMFGYRCIXCRWFF-LBPRGKRZSA-N 1 2 351.309 3.373 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000820645423 729013411 /nfs/dbraw/zinc/01/34/11/729013411.db2.gz UAOJWZDCYJIKAB-UHFFFAOYSA-N 1 2 351.204 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1cscn1)CC2 ZINC000829531433 729488152 /nfs/dbraw/zinc/48/81/52/729488152.db2.gz LYMRLKGJEBOXBJ-UHFFFAOYSA-N 1 2 368.256 3.415 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1cscn1)CC2 ZINC000829531433 729488153 /nfs/dbraw/zinc/48/81/53/729488153.db2.gz LYMRLKGJEBOXBJ-UHFFFAOYSA-N 1 2 368.256 3.415 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(Cl)c1 ZINC000835457404 729891227 /nfs/dbraw/zinc/89/12/27/729891227.db2.gz IWPAXGPSZHKTCI-INIZCTEOSA-N 1 2 361.785 3.075 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncc(Cl)c1 ZINC000835457404 729891228 /nfs/dbraw/zinc/89/12/28/729891228.db2.gz IWPAXGPSZHKTCI-INIZCTEOSA-N 1 2 361.785 3.075 20 5 FGBDLO C[C@@]1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000844803593 730769623 /nfs/dbraw/zinc/76/96/23/730769623.db2.gz RVWAQGKVPPGUKA-HZPDHXFCSA-N 1 2 366.780 3.215 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000848483354 731170180 /nfs/dbraw/zinc/17/01/80/731170180.db2.gz DBNNRBQBMOVAEW-ZDUSSCGKSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000848483354 731170182 /nfs/dbraw/zinc/17/01/82/731170182.db2.gz DBNNRBQBMOVAEW-ZDUSSCGKSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000856738345 732050421 /nfs/dbraw/zinc/05/04/21/732050421.db2.gz XMPLLZGUYZBTCJ-NSHDSACASA-N 1 2 363.215 3.443 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000865705435 733255130 /nfs/dbraw/zinc/25/51/30/733255130.db2.gz RHTSJPOPUHPUBS-HNNXBMFYSA-N 1 2 356.209 3.294 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879625976 737018096 /nfs/dbraw/zinc/01/80/96/737018096.db2.gz FVJOPOUGVVDCKY-LLVKDONJSA-N 1 2 369.849 3.058 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000886111536 739219683 /nfs/dbraw/zinc/21/96/83/739219683.db2.gz DEQMVYDNCGKDPU-CQSZACIVSA-N 1 2 355.316 3.486 20 5 FGBDLO CCCn1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000902976504 743795251 /nfs/dbraw/zinc/79/52/51/743795251.db2.gz PPNNLXVSZIVIBX-JTQLQIEISA-N 1 2 357.336 3.466 20 5 FGBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000015015174 211115641 /nfs/dbraw/zinc/11/56/41/211115641.db2.gz YEWFYTXCRGFVDF-UHFFFAOYSA-N 1 2 368.349 3.050 20 5 FGBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096954099 222146188 /nfs/dbraw/zinc/14/61/88/222146188.db2.gz AIOVQWMIQQFLRV-CYBMUJFWSA-N 1 2 352.394 3.414 20 5 FGBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096954099 222146189 /nfs/dbraw/zinc/14/61/89/222146189.db2.gz AIOVQWMIQQFLRV-CYBMUJFWSA-N 1 2 352.394 3.414 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000576727792 505579843 /nfs/dbraw/zinc/57/98/43/505579843.db2.gz YWGHPJIWSUVJJF-UHFFFAOYSA-N 1 2 372.454 3.493 20 5 FGBDLO O=C(Nc1cc(Cl)ccc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057681290 493785687 /nfs/dbraw/zinc/78/56/87/493785687.db2.gz NYTFGWPAHBNVGO-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCc3sccc3C2)[nH+]c1 ZINC000030675214 493903900 /nfs/dbraw/zinc/90/39/00/493903900.db2.gz DSQBJYKCJKVEHH-UHFFFAOYSA-N 1 2 356.411 3.091 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081928856 493966782 /nfs/dbraw/zinc/96/67/82/493966782.db2.gz GHDFCESUNZRBBL-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000051407667 493967177 /nfs/dbraw/zinc/96/71/77/493967177.db2.gz MBVZAAYRONWUFC-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000051407667 493967180 /nfs/dbraw/zinc/96/71/80/493967180.db2.gz MBVZAAYRONWUFC-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172832 493968440 /nfs/dbraw/zinc/96/84/40/493968440.db2.gz MKRPVDJQEGMWIQ-UHFFFAOYSA-N 1 2 352.394 3.242 20 5 FGBDLO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172832 493968443 /nfs/dbraw/zinc/96/84/43/493968443.db2.gz MKRPVDJQEGMWIQ-UHFFFAOYSA-N 1 2 352.394 3.242 20 5 FGBDLO CCc1cccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451911 493970773 /nfs/dbraw/zinc/97/07/73/493970773.db2.gz BNWIVXPOUPUYSV-SFHVURJKSA-N 1 2 367.405 3.461 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058823 493973235 /nfs/dbraw/zinc/97/32/35/493973235.db2.gz HAIXYTCVYUJALD-UHFFFAOYSA-N 1 2 350.378 3.443 20 5 FGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000051508021 493973782 /nfs/dbraw/zinc/97/37/82/493973782.db2.gz XGWLBONNTUKQGG-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000051508021 493973784 /nfs/dbraw/zinc/97/37/84/493973784.db2.gz XGWLBONNTUKQGG-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000051767356 493986263 /nfs/dbraw/zinc/98/62/63/493986263.db2.gz SGOXSOXAXOSBJW-CYBMUJFWSA-N 1 2 363.849 3.173 20 5 FGBDLO COc1ccccc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083126895 493998827 /nfs/dbraw/zinc/99/88/27/493998827.db2.gz UIRKMXHFWFVOQO-UHFFFAOYSA-N 1 2 368.393 3.067 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000007619696 494031256 /nfs/dbraw/zinc/03/12/56/494031256.db2.gz CPRDJAHGJRQCIX-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO Cc1n[nH]cc1CCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077409528 494076945 /nfs/dbraw/zinc/07/69/45/494076945.db2.gz NNQIMZBVGXAATL-UHFFFAOYSA-N 1 2 352.398 3.436 20 5 FGBDLO COc1ccccc1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000053238167 494108954 /nfs/dbraw/zinc/10/89/54/494108954.db2.gz LXRKASNYDZQWNW-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000053238167 494108955 /nfs/dbraw/zinc/10/89/55/494108955.db2.gz LXRKASNYDZQWNW-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089303678 494286110 /nfs/dbraw/zinc/28/61/10/494286110.db2.gz LBWIFMZWQYEZPX-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO O=C(NC1CC1)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000078615991 494330961 /nfs/dbraw/zinc/33/09/61/494330961.db2.gz WNHFOTHWNNQBEA-UHFFFAOYSA-N 1 2 369.425 3.186 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055696310 494391335 /nfs/dbraw/zinc/39/13/35/494391335.db2.gz ZOWUPKRRDPHPAT-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000021919235 494510606 /nfs/dbraw/zinc/51/06/06/494510606.db2.gz BGSYMEPJSXEEBI-UHFFFAOYSA-N 1 2 365.336 3.267 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000021919235 494510607 /nfs/dbraw/zinc/51/06/07/494510607.db2.gz BGSYMEPJSXEEBI-UHFFFAOYSA-N 1 2 365.336 3.267 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000574229759 505725220 /nfs/dbraw/zinc/72/52/20/505725220.db2.gz QSLKAOPCYCNVMN-CQSZACIVSA-N 1 2 356.426 3.256 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376363 494525676 /nfs/dbraw/zinc/52/56/76/494525676.db2.gz GFKVQWROOURFKU-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376363 494525678 /nfs/dbraw/zinc/52/56/78/494525678.db2.gz GFKVQWROOURFKU-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599381 494539697 /nfs/dbraw/zinc/53/96/97/494539697.db2.gz BROYOHTWFXCXPN-ZDUSSCGKSA-N 1 2 359.451 3.062 20 5 FGBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599381 494539701 /nfs/dbraw/zinc/53/97/01/494539701.db2.gz BROYOHTWFXCXPN-ZDUSSCGKSA-N 1 2 359.451 3.062 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCSc2ccccc2)CC1 ZINC000056950686 494601368 /nfs/dbraw/zinc/60/13/68/494601368.db2.gz ZJHINRBPNPOZDV-UHFFFAOYSA-N 1 2 371.462 3.145 20 5 FGBDLO C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000131489386 494636844 /nfs/dbraw/zinc/63/68/44/494636844.db2.gz HETSEHOHPWYJRN-MFKMUULPSA-N 1 2 366.219 3.036 20 5 FGBDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000047259411 494666732 /nfs/dbraw/zinc/66/67/32/494666732.db2.gz RUGYRYYVKXTWEI-SECBINFHSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000047259411 494666737 /nfs/dbraw/zinc/66/67/37/494666737.db2.gz RUGYRYYVKXTWEI-SECBINFHSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000080582962 494737357 /nfs/dbraw/zinc/73/73/57/494737357.db2.gz YRMUUPKADVALHG-MRXNPFEDSA-N 1 2 371.890 3.176 20 5 FGBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277101 494749855 /nfs/dbraw/zinc/74/98/55/494749855.db2.gz LFPHHGLISPPMFH-UHFFFAOYSA-N 1 2 350.802 3.251 20 5 FGBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277101 494749864 /nfs/dbraw/zinc/74/98/64/494749864.db2.gz LFPHHGLISPPMFH-UHFFFAOYSA-N 1 2 350.802 3.251 20 5 FGBDLO CCCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000116279403 494750755 /nfs/dbraw/zinc/75/07/55/494750755.db2.gz NJRVZHNGILRDKV-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000116279403 494750758 /nfs/dbraw/zinc/75/07/58/494750758.db2.gz NJRVZHNGILRDKV-CQSZACIVSA-N 1 2 360.863 3.037 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000025925892 494789152 /nfs/dbraw/zinc/78/91/52/494789152.db2.gz HUGSQOIYOBPWRU-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000025925892 494789159 /nfs/dbraw/zinc/78/91/59/494789159.db2.gz HUGSQOIYOBPWRU-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO CCN(C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770818 494919803 /nfs/dbraw/zinc/91/98/03/494919803.db2.gz OKVNOLDRKCAADF-GFCCVEGCSA-N 1 2 361.364 3.007 20 5 FGBDLO CCN(C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770818 494919807 /nfs/dbraw/zinc/91/98/07/494919807.db2.gz OKVNOLDRKCAADF-GFCCVEGCSA-N 1 2 361.364 3.007 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000132909667 494942228 /nfs/dbraw/zinc/94/22/28/494942228.db2.gz USGXQRQADXWDQL-UHFFFAOYSA-N 1 2 372.400 3.295 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000117878344 494960752 /nfs/dbraw/zinc/96/07/52/494960752.db2.gz YEJKOROKKAJAIK-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000117878344 494960758 /nfs/dbraw/zinc/96/07/58/494960758.db2.gz YEJKOROKKAJAIK-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000117878344 494960763 /nfs/dbraw/zinc/96/07/63/494960763.db2.gz YEJKOROKKAJAIK-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000117878344 494960767 /nfs/dbraw/zinc/96/07/67/494960767.db2.gz YEJKOROKKAJAIK-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133650156 495041148 /nfs/dbraw/zinc/04/11/48/495041148.db2.gz RPUYBFZKJWXMAU-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133650156 495041151 /nfs/dbraw/zinc/04/11/51/495041151.db2.gz RPUYBFZKJWXMAU-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCO2)c1 ZINC000119035737 495076183 /nfs/dbraw/zinc/07/61/83/495076183.db2.gz BWRIAJFCQADWTL-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCO2)c1 ZINC000119035737 495076187 /nfs/dbraw/zinc/07/61/87/495076187.db2.gz BWRIAJFCQADWTL-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000128501455 495106587 /nfs/dbraw/zinc/10/65/87/495106587.db2.gz NZBKLNXHXKXKKZ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119454524 495170148 /nfs/dbraw/zinc/17/01/48/495170148.db2.gz FBOHNZOZHXGZAJ-UHFFFAOYSA-N 1 2 362.389 3.038 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000119804448 495245185 /nfs/dbraw/zinc/24/51/85/495245185.db2.gz VYODBWGNHLWSRY-UHFFFAOYSA-N 1 2 362.389 3.287 20 5 FGBDLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000105159840 495341760 /nfs/dbraw/zinc/34/17/60/495341760.db2.gz METSGOUUGGEHMB-CQSZACIVSA-N 1 2 357.414 3.242 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cccc1[N+](=O)[O-] ZINC000120280801 495343112 /nfs/dbraw/zinc/34/31/12/495343112.db2.gz GBDQQGSSTSWALM-GFCCVEGCSA-N 1 2 364.833 3.354 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cccc1[N+](=O)[O-] ZINC000120280801 495343114 /nfs/dbraw/zinc/34/31/14/495343114.db2.gz GBDQQGSSTSWALM-GFCCVEGCSA-N 1 2 364.833 3.354 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCNc1ccc2ccccc2[nH+]1 ZINC000120343993 495357203 /nfs/dbraw/zinc/35/72/03/495357203.db2.gz QAWDPQAXVYISCV-UHFFFAOYSA-N 1 2 364.405 3.304 20 5 FGBDLO O=C(NCc1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000105887285 495394564 /nfs/dbraw/zinc/39/45/64/495394564.db2.gz AGNRGUOITQBEDE-UHFFFAOYSA-N 1 2 362.798 3.425 20 5 FGBDLO COc1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130550771 495409062 /nfs/dbraw/zinc/40/90/62/495409062.db2.gz HUMZVHULSDDQMZ-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130550771 495409067 /nfs/dbraw/zinc/40/90/67/495409067.db2.gz HUMZVHULSDDQMZ-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130809525 495449103 /nfs/dbraw/zinc/44/91/03/495449103.db2.gz KWJYDBNQSTYXED-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130809525 495449105 /nfs/dbraw/zinc/44/91/05/495449105.db2.gz KWJYDBNQSTYXED-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CNC(=O)c1ccc(NCCNc2ccc3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000138687468 495466103 /nfs/dbraw/zinc/46/61/03/495466103.db2.gz XTGFTCJBWOFOIU-UHFFFAOYSA-N 1 2 365.393 3.027 20 5 FGBDLO CN(C)c1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000150903121 495674931 /nfs/dbraw/zinc/67/49/31/495674931.db2.gz HGMAUSZFBQYCCY-UHFFFAOYSA-N 1 2 352.398 3.068 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173759556 495680294 /nfs/dbraw/zinc/68/02/94/495680294.db2.gz BTFHRSYETLZCHF-UHFFFAOYSA-N 1 2 370.331 3.396 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000150928864 495684769 /nfs/dbraw/zinc/68/47/69/495684769.db2.gz AUGYUXUGKJCVAE-GFCCVEGCSA-N 1 2 362.817 3.077 20 5 FGBDLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182753550 495690876 /nfs/dbraw/zinc/69/08/76/495690876.db2.gz FZMSGBKXIDWEBE-KRWDZBQOSA-N 1 2 371.485 3.132 20 5 FGBDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000182758440 495691161 /nfs/dbraw/zinc/69/11/61/495691161.db2.gz OANWMGDTRHDQQG-WMZOPIPTSA-N 1 2 358.442 3.179 20 5 FGBDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000182758440 495691167 /nfs/dbraw/zinc/69/11/67/495691167.db2.gz OANWMGDTRHDQQG-WMZOPIPTSA-N 1 2 358.442 3.179 20 5 FGBDLO CC(C)NC(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000180408196 495984533 /nfs/dbraw/zinc/98/45/33/495984533.db2.gz VWRUIOZMDHCWEN-UHFFFAOYSA-N 1 2 357.414 3.042 20 5 FGBDLO CCc1cc(NC(=O)CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160856583 496055465 /nfs/dbraw/zinc/05/54/65/496055465.db2.gz HDOZHYGTCONGLI-UHFFFAOYSA-N 1 2 353.382 3.321 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184221209 496292239 /nfs/dbraw/zinc/29/22/39/496292239.db2.gz KRIUEKXGMATCID-WDEREUQCSA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175272552 496318560 /nfs/dbraw/zinc/31/85/60/496318560.db2.gz CFCZZXOLBQEEKJ-YOEHRIQHSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000175272552 496318564 /nfs/dbraw/zinc/31/85/64/496318564.db2.gz CFCZZXOLBQEEKJ-YOEHRIQHSA-N 1 2 369.421 3.083 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178192379 496363816 /nfs/dbraw/zinc/36/38/16/496363816.db2.gz DGFLUMBGRLXRMR-UHFFFAOYSA-N 1 2 372.406 3.348 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153260146 496399905 /nfs/dbraw/zinc/39/99/05/496399905.db2.gz OCOMMHKCVPKXEK-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153260146 496399910 /nfs/dbraw/zinc/39/99/10/496399910.db2.gz OCOMMHKCVPKXEK-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000163009244 496448434 /nfs/dbraw/zinc/44/84/34/496448434.db2.gz QKQBSPNDDIZRKD-HNNXBMFYSA-N 1 2 369.425 3.209 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000172877088 496472771 /nfs/dbraw/zinc/47/27/71/496472771.db2.gz YBDRRENNXHSBKC-OAHLLOKOSA-N 1 2 351.366 3.057 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153509197 496479266 /nfs/dbraw/zinc/47/92/66/496479266.db2.gz VYTDGDDXMSQKCQ-OAHLLOKOSA-N 1 2 371.393 3.010 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178515989 496483523 /nfs/dbraw/zinc/48/35/23/496483523.db2.gz XKJVKJODAJONMK-UHFFFAOYSA-N 1 2 354.288 3.327 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178592277 496509565 /nfs/dbraw/zinc/50/95/65/496509565.db2.gz PCRSEKSAGPGMFB-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000157908050 496581561 /nfs/dbraw/zinc/58/15/61/496581561.db2.gz XPXMXGAKPXQXJY-UHFFFAOYSA-N 1 2 368.397 3.094 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000173246458 496609902 /nfs/dbraw/zinc/60/99/02/496609902.db2.gz VIDKLJYCLITAFO-QGZVFWFLSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000173246458 496609906 /nfs/dbraw/zinc/60/99/06/496609906.db2.gz VIDKLJYCLITAFO-QGZVFWFLSA-N 1 2 373.409 3.116 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2nccs2)c([N+](=O)[O-])c1 ZINC000185109400 496664754 /nfs/dbraw/zinc/66/47/54/496664754.db2.gz WZPIGDYGPSGVKQ-GFCCVEGCSA-N 1 2 364.427 3.129 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185121711 496668975 /nfs/dbraw/zinc/66/89/75/496668975.db2.gz DYTUJCZIOJZXOG-INIZCTEOSA-N 1 2 366.421 3.170 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](CO)O1 ZINC000191525982 496797978 /nfs/dbraw/zinc/79/79/78/496797978.db2.gz BMZXDUROIPSGTK-BXUZGUMPSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](CO)O1 ZINC000191525982 496797983 /nfs/dbraw/zinc/79/79/83/496797983.db2.gz BMZXDUROIPSGTK-BXUZGUMPSA-N 1 2 366.801 3.090 20 5 FGBDLO O=C(C[NH2+][C@@H](c1nccs1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000195036270 496798966 /nfs/dbraw/zinc/79/89/66/496798966.db2.gz KALHPCWIIOEDJF-QGZVFWFLSA-N 1 2 368.418 3.369 20 5 FGBDLO C[C@H](c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264152053 496823146 /nfs/dbraw/zinc/82/31/46/496823146.db2.gz AKEFGLBLUCCWFS-OAHLLOKOSA-N 1 2 369.421 3.169 20 5 FGBDLO Cc1c(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000264291867 496864753 /nfs/dbraw/zinc/86/47/53/496864753.db2.gz RYNLKWFPBLRYNQ-UHFFFAOYSA-N 1 2 371.319 3.326 20 5 FGBDLO C[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)c1nnnn1C ZINC000188679546 496874839 /nfs/dbraw/zinc/87/48/39/496874839.db2.gz BSXMWENXYKTGCO-LLVKDONJSA-N 1 2 361.434 3.413 20 5 FGBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000195401550 496913748 /nfs/dbraw/zinc/91/37/48/496913748.db2.gz LVXCHVUOSSMHBG-UHFFFAOYSA-N 1 2 369.402 3.385 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000207872550 496975490 /nfs/dbraw/zinc/97/54/90/496975490.db2.gz FXNQDADUGDMXOI-TWGQIWQCSA-N 1 2 367.449 3.305 20 5 FGBDLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000273990197 496983713 /nfs/dbraw/zinc/98/37/13/496983713.db2.gz WSEZAKHQRKQVBV-UHFFFAOYSA-N 1 2 374.416 3.415 20 5 FGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653123 497072551 /nfs/dbraw/zinc/07/25/51/497072551.db2.gz UMOWANWVZQTBMI-XFJVYGCCSA-N 1 2 366.389 3.049 20 5 FGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653123 497072559 /nfs/dbraw/zinc/07/25/59/497072559.db2.gz UMOWANWVZQTBMI-XFJVYGCCSA-N 1 2 366.389 3.049 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634468 497170586 /nfs/dbraw/zinc/17/05/86/497170586.db2.gz NFNQHYMJTRGSEK-CABCVRRESA-N 1 2 353.422 3.393 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634468 497170592 /nfs/dbraw/zinc/17/05/92/497170592.db2.gz NFNQHYMJTRGSEK-CABCVRRESA-N 1 2 353.422 3.393 20 5 FGBDLO CC(C)c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000192935966 497252139 /nfs/dbraw/zinc/25/21/39/497252139.db2.gz HMCLDGYHMYXXHA-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000192935966 497252143 /nfs/dbraw/zinc/25/21/43/497252143.db2.gz HMCLDGYHMYXXHA-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000271142115 497272114 /nfs/dbraw/zinc/27/21/14/497272114.db2.gz FIHQQMAPCFLQNO-GQCTYLIASA-N 1 2 354.332 3.499 20 5 FGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000271142115 497272115 /nfs/dbraw/zinc/27/21/15/497272115.db2.gz FIHQQMAPCFLQNO-GQCTYLIASA-N 1 2 354.332 3.499 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279121974 497340650 /nfs/dbraw/zinc/34/06/50/497340650.db2.gz CXWLZGOJXJVRLZ-GOSISDBHSA-N 1 2 368.437 3.493 20 5 FGBDLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271674546 497415436 /nfs/dbraw/zinc/41/54/36/497415436.db2.gz BOTGTQCWIPDRBQ-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1ccccc1OC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193692155 497448543 /nfs/dbraw/zinc/44/85/43/497448543.db2.gz UNOSTGIYJFPGFK-QGZVFWFLSA-N 1 2 353.378 3.207 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193727750 497461476 /nfs/dbraw/zinc/46/14/76/497461476.db2.gz IHLWKARGLHDVOH-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193727750 497461482 /nfs/dbraw/zinc/46/14/82/497461482.db2.gz IHLWKARGLHDVOH-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267009414 497468329 /nfs/dbraw/zinc/46/83/29/497468329.db2.gz HBHXUYSFJYMNJM-UHFFFAOYSA-N 1 2 361.373 3.030 20 5 FGBDLO Cc1cc(N[C@@H](C)c2nnc3n2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272322433 497595582 /nfs/dbraw/zinc/59/55/82/497595582.db2.gz UFTAWRWAQQDEGP-LBPRGKRZSA-N 1 2 365.397 3.071 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272404361 497619237 /nfs/dbraw/zinc/61/92/37/497619237.db2.gz ZLFMAAUBKXYGDE-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272404361 497619241 /nfs/dbraw/zinc/61/92/41/497619241.db2.gz ZLFMAAUBKXYGDE-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272526107 497651558 /nfs/dbraw/zinc/65/15/58/497651558.db2.gz METVJGVFJOGHCC-LBPRGKRZSA-N 1 2 360.361 3.260 20 5 FGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272552913 497660528 /nfs/dbraw/zinc/66/05/28/497660528.db2.gz RSBBNHDOFJRJMO-OALUTQOASA-N 1 2 366.421 3.395 20 5 FGBDLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000191052831 497695220 /nfs/dbraw/zinc/69/52/20/497695220.db2.gz LMUDJUKEHHDFDK-UHFFFAOYSA-N 1 2 369.468 3.299 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000268345680 497731037 /nfs/dbraw/zinc/73/10/37/497731037.db2.gz BXODKWFMBSOCLG-WMLDXEAASA-N 1 2 356.426 3.179 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000280558854 497789430 /nfs/dbraw/zinc/78/94/30/497789430.db2.gz KSFLGNXTZIJQHR-UHFFFAOYSA-N 1 2 374.871 3.393 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280634637 497835450 /nfs/dbraw/zinc/83/54/50/497835450.db2.gz MEQWHYPUOWZMES-UHFFFAOYSA-N 1 2 366.780 3.059 20 5 FGBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)c(F)c1 ZINC000292162554 497904893 /nfs/dbraw/zinc/90/48/93/497904893.db2.gz LDRBFQYRZNRWGN-UHFFFAOYSA-N 1 2 361.348 3.137 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)c(F)c1 ZINC000292162554 497904898 /nfs/dbraw/zinc/90/48/98/497904898.db2.gz LDRBFQYRZNRWGN-UHFFFAOYSA-N 1 2 361.348 3.137 20 5 FGBDLO Cc1ccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280812278 497908666 /nfs/dbraw/zinc/90/86/66/497908666.db2.gz MDPLCXZMVFDKIJ-WBMJQRKESA-N 1 2 368.480 3.229 20 5 FGBDLO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F ZINC000301308304 498049868 /nfs/dbraw/zinc/04/98/68/498049868.db2.gz WMXUEIUSQFQADX-LLVKDONJSA-N 1 2 367.381 3.297 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000581374430 505973753 /nfs/dbraw/zinc/97/37/53/505973753.db2.gz MNPSMXULWUSEPH-IAQYHMDHSA-N 1 2 360.439 3.076 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nncn1C ZINC000285437759 498083961 /nfs/dbraw/zinc/08/39/61/498083961.db2.gz IATZBQFHPVEKAM-KRWDZBQOSA-N 1 2 355.398 3.470 20 5 FGBDLO CC(C)[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285505493 498110885 /nfs/dbraw/zinc/11/08/85/498110885.db2.gz FOQQABVBDGOUNN-LBPRGKRZSA-N 1 2 374.369 3.123 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000296891894 498239683 /nfs/dbraw/zinc/23/96/83/498239683.db2.gz XFRJMUJDRZHWOO-BZNIZROVSA-N 1 2 361.377 3.354 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCCO3)ccc1Br ZINC000293056633 498250905 /nfs/dbraw/zinc/25/09/05/498250905.db2.gz RXRHZXMTJBETKC-UHFFFAOYSA-N 1 2 371.231 3.086 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000331143500 498260436 /nfs/dbraw/zinc/26/04/36/498260436.db2.gz XUWWGNXKYBYSLC-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000331143500 498260439 /nfs/dbraw/zinc/26/04/39/498260439.db2.gz XUWWGNXKYBYSLC-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000301782636 498262238 /nfs/dbraw/zinc/26/22/38/498262238.db2.gz TXAKXKYHICMYJE-UHFFFAOYSA-N 1 2 374.360 3.171 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000360324908 498264613 /nfs/dbraw/zinc/26/46/13/498264613.db2.gz ZAWVWSJQSOLTAV-CQSZACIVSA-N 1 2 374.828 3.146 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000360324908 498264624 /nfs/dbraw/zinc/26/46/24/498264624.db2.gz ZAWVWSJQSOLTAV-CQSZACIVSA-N 1 2 374.828 3.146 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281788046 498269335 /nfs/dbraw/zinc/26/93/35/498269335.db2.gz OBWQZUPJCCOKQE-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301804975 498272117 /nfs/dbraw/zinc/27/21/17/498272117.db2.gz VSAUHJSQFJDCGE-HNNXBMFYSA-N 1 2 363.364 3.186 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000301804975 498272118 /nfs/dbraw/zinc/27/21/18/498272118.db2.gz VSAUHJSQFJDCGE-HNNXBMFYSA-N 1 2 363.364 3.186 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000281803177 498274424 /nfs/dbraw/zinc/27/44/24/498274424.db2.gz MVTNLHKGERLVGC-AWEZNQCLSA-N 1 2 358.398 3.187 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301912911 498324178 /nfs/dbraw/zinc/32/41/78/498324178.db2.gz DNRGFQVGPFKUBI-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000578771223 506016999 /nfs/dbraw/zinc/01/69/99/506016999.db2.gz BYRCXNJMRCAVSU-UHFFFAOYSA-N 1 2 364.405 3.447 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c([N+](=O)[O-])cc1OC ZINC000281991765 498347289 /nfs/dbraw/zinc/34/72/89/498347289.db2.gz LLWCXCJYIOXWCL-UHFFFAOYSA-N 1 2 351.790 3.259 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccccc3-n3cc[nH+]c3)cc2N1 ZINC000301992483 498359258 /nfs/dbraw/zinc/35/92/58/498359258.db2.gz NUTLMLDXEFOERF-UHFFFAOYSA-N 1 2 363.377 3.277 20 5 FGBDLO Cc1cccn2cc(CNc3c(Br)cncc3[N+](=O)[O-])[nH+]c12 ZINC000302012703 498368570 /nfs/dbraw/zinc/36/85/70/498368570.db2.gz ZOUAYWFGYXOLAV-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1cc(N(C)C[C@@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302046763 498383785 /nfs/dbraw/zinc/38/37/85/498383785.db2.gz NKFCFBCLSWXLQD-RDJZCZTQSA-N 1 2 356.426 3.348 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000302176232 498429039 /nfs/dbraw/zinc/42/90/39/498429039.db2.gz MZQMJUAPLPGSOS-UHFFFAOYSA-N 1 2 372.356 3.062 20 5 FGBDLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290140440 498439404 /nfs/dbraw/zinc/43/94/04/498439404.db2.gz QVTOSPHENUZNGB-QGZVFWFLSA-N 1 2 353.382 3.005 20 5 FGBDLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290140440 498439408 /nfs/dbraw/zinc/43/94/08/498439408.db2.gz QVTOSPHENUZNGB-QGZVFWFLSA-N 1 2 353.382 3.005 20 5 FGBDLO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365394866 498442396 /nfs/dbraw/zinc/44/23/96/498442396.db2.gz MEWCXTBIAMIKJH-CMDGGOBGSA-N 1 2 366.421 3.130 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000362024793 498454039 /nfs/dbraw/zinc/45/40/39/498454039.db2.gz RJPAKKZYKMIFJN-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302781864 498571818 /nfs/dbraw/zinc/57/18/18/498571818.db2.gz SDRVEHLFSYWMCX-CQSZACIVSA-N 1 2 370.331 3.287 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000365698247 498602690 /nfs/dbraw/zinc/60/26/90/498602690.db2.gz NNNCKGSPGCPGJE-UHFFFAOYSA-N 1 2 364.361 3.240 20 5 FGBDLO COc1cc(Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000572884965 506074785 /nfs/dbraw/zinc/07/47/85/506074785.db2.gz DGOGZJRDKRPPFX-SFHVURJKSA-N 1 2 368.393 3.228 20 5 FGBDLO Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332650075 498753346 /nfs/dbraw/zinc/75/33/46/498753346.db2.gz NCNXXVLGMHWYIT-ZDUSSCGKSA-N 1 2 356.426 3.142 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291279242 498874705 /nfs/dbraw/zinc/87/47/05/498874705.db2.gz ZZTQWLMHDCFHRX-KRWDZBQOSA-N 1 2 352.394 3.185 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295282259 498965560 /nfs/dbraw/zinc/96/55/60/498965560.db2.gz IPBFGFKOKSBOEG-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291697545 499039429 /nfs/dbraw/zinc/03/94/29/499039429.db2.gz TXFOADOPMJROIP-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818494 499107927 /nfs/dbraw/zinc/10/79/27/499107927.db2.gz CBEBGVLILRYIFI-XHDPSFHLSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818494 499107930 /nfs/dbraw/zinc/10/79/30/499107930.db2.gz CBEBGVLILRYIFI-XHDPSFHLSA-N 1 2 369.849 3.322 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000366904385 499111276 /nfs/dbraw/zinc/11/12/76/499111276.db2.gz RFYYHOOAIHBQML-ZDUSSCGKSA-N 1 2 373.413 3.139 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000372524590 499139037 /nfs/dbraw/zinc/13/90/37/499139037.db2.gz RUSADRWLKKYJPX-WBVHZDCISA-N 1 2 356.426 3.261 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Sc2ccc(F)cc2F)C1 ZINC000370235225 499200382 /nfs/dbraw/zinc/20/03/82/499200382.db2.gz DLFACBGMWOATMJ-LBPRGKRZSA-N 1 2 368.409 3.363 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Sc2ccc(F)cc2F)C1 ZINC000370235225 499200384 /nfs/dbraw/zinc/20/03/84/499200384.db2.gz DLFACBGMWOATMJ-LBPRGKRZSA-N 1 2 368.409 3.363 20 5 FGBDLO Cc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371003180 499279467 /nfs/dbraw/zinc/27/94/67/499279467.db2.gz GRQWHJCWZFWCGN-CVEARBPZSA-N 1 2 354.410 3.223 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000371478386 499332496 /nfs/dbraw/zinc/33/24/96/499332496.db2.gz WRJOVSDJVUDKCQ-UHFFFAOYSA-N 1 2 366.421 3.050 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000371478386 499332498 /nfs/dbraw/zinc/33/24/98/499332498.db2.gz WRJOVSDJVUDKCQ-UHFFFAOYSA-N 1 2 366.421 3.050 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2cncnc2)c[nH+]1 ZINC000369151211 499371444 /nfs/dbraw/zinc/37/14/44/499371444.db2.gz BNKXEVDMYOTZMV-UHFFFAOYSA-N 1 2 351.366 3.458 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000373617093 499480128 /nfs/dbraw/zinc/48/01/28/499480128.db2.gz BNCSYSJULQLBAM-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283130 499502920 /nfs/dbraw/zinc/50/29/20/499502920.db2.gz CLKFTKQMMUCIFP-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283130 499502922 /nfs/dbraw/zinc/50/29/22/499502922.db2.gz CLKFTKQMMUCIFP-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)ccc1Br ZINC000375352526 499509624 /nfs/dbraw/zinc/50/96/24/499509624.db2.gz KOQKWMRCTZVIGU-LBPRGKRZSA-N 1 2 351.204 3.418 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000375630966 499539234 /nfs/dbraw/zinc/53/92/34/499539234.db2.gz NZZJYJNHGFVVEX-INIZCTEOSA-N 1 2 350.369 3.390 20 5 FGBDLO Cc1cc(N2CCO[C@@]3(CCSC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000579347908 506153077 /nfs/dbraw/zinc/15/30/77/506153077.db2.gz QMVSARDWXCSWSU-SFHVURJKSA-N 1 2 372.450 3.073 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410285928 499653087 /nfs/dbraw/zinc/65/30/87/499653087.db2.gz GIEOOFWKDMEQIS-CYBMUJFWSA-N 1 2 372.400 3.287 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000411770835 499788989 /nfs/dbraw/zinc/78/89/89/499788989.db2.gz ZZBQXNQQZHSIQW-UHFFFAOYSA-N 1 2 358.398 3.125 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCO[C@@H](CF)C3)cs2)c1 ZINC000414477009 499797154 /nfs/dbraw/zinc/79/71/54/499797154.db2.gz LAIFGFJNSHFDAT-HNNXBMFYSA-N 1 2 351.403 3.279 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCO[C@@H](CF)C3)cs2)c1 ZINC000414477009 499797155 /nfs/dbraw/zinc/79/71/55/499797155.db2.gz LAIFGFJNSHFDAT-HNNXBMFYSA-N 1 2 351.403 3.279 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000413206285 499926876 /nfs/dbraw/zinc/92/68/76/499926876.db2.gz QJUYQLJTTHSPEM-SNVBAGLBSA-N 1 2 353.304 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000413281895 499936732 /nfs/dbraw/zinc/93/67/32/499936732.db2.gz ODOZKNSQXQFBOR-RISCZKNCSA-N 1 2 355.316 3.140 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000413292659 499938161 /nfs/dbraw/zinc/93/81/61/499938161.db2.gz DQBMYYNVJAAHHM-QGTPRVQTSA-N 1 2 354.410 3.202 20 5 FGBDLO CC1(C)C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000413331023 499942119 /nfs/dbraw/zinc/94/21/19/499942119.db2.gz HDXWBKTWXZZAKK-MRXNPFEDSA-N 1 2 363.458 3.044 20 5 FGBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429844 500104288 /nfs/dbraw/zinc/10/42/88/500104288.db2.gz BMLHZADUTDQWBZ-JTQLQIEISA-N 1 2 372.263 3.092 20 5 FGBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429844 500104290 /nfs/dbraw/zinc/10/42/90/500104290.db2.gz BMLHZADUTDQWBZ-JTQLQIEISA-N 1 2 372.263 3.092 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430087610 500190970 /nfs/dbraw/zinc/19/09/70/500190970.db2.gz SZEBPJUAQQTKBZ-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430087610 500190973 /nfs/dbraw/zinc/19/09/73/500190973.db2.gz SZEBPJUAQQTKBZ-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000430223705 500211435 /nfs/dbraw/zinc/21/14/35/500211435.db2.gz VMGVOMMFHYASKZ-QGZVFWFLSA-N 1 2 355.398 3.133 20 5 FGBDLO CC(C)(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000432006401 500454156 /nfs/dbraw/zinc/45/41/56/500454156.db2.gz JXIUKHIFTQJVKO-UHFFFAOYSA-N 1 2 368.437 3.053 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000428108737 500469701 /nfs/dbraw/zinc/46/97/01/500469701.db2.gz UEEMGTKTKBECDN-UHFFFAOYSA-N 1 2 362.187 3.265 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000432336068 500500957 /nfs/dbraw/zinc/50/09/57/500500957.db2.gz MICXWNNLHAZWGY-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000428864472 500567798 /nfs/dbraw/zinc/56/77/98/500567798.db2.gz BXNOEXZMLHCFSL-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000428864472 500567799 /nfs/dbraw/zinc/56/77/99/500567799.db2.gz BXNOEXZMLHCFSL-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c[nH+]1 ZINC000437162041 500608892 /nfs/dbraw/zinc/60/88/92/500608892.db2.gz ZYWOTVYXPZNORC-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1[nH]cc[nH+]1 ZINC000570620464 506206768 /nfs/dbraw/zinc/20/67/68/506206768.db2.gz VBVCNRRJRKRPTD-LBPRGKRZSA-N 1 2 367.203 3.270 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H]1c1cccnc1 ZINC000447804835 500666223 /nfs/dbraw/zinc/66/62/23/500666223.db2.gz GUZZPMJJOBMQRJ-GOSISDBHSA-N 1 2 368.437 3.164 20 5 FGBDLO COC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCCC1 ZINC000447807437 500666470 /nfs/dbraw/zinc/66/64/70/500666470.db2.gz QKULPZAEOIYPPV-UHFFFAOYSA-N 1 2 363.458 3.188 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCCC(F)(F)C1 ZINC000447809726 500667851 /nfs/dbraw/zinc/66/78/51/500667851.db2.gz CENYAAUEYNEMNJ-AWEZNQCLSA-N 1 2 355.385 3.417 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H]1CCCc2ccccc21 ZINC000438529808 500797976 /nfs/dbraw/zinc/79/79/76/500797976.db2.gz UKZMODMXMCSEDI-HXUWFJFHSA-N 1 2 365.433 3.147 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H]1CCCc2ccccc21 ZINC000438529808 500797978 /nfs/dbraw/zinc/79/79/78/500797978.db2.gz UKZMODMXMCSEDI-HXUWFJFHSA-N 1 2 365.433 3.147 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000444688465 500879262 /nfs/dbraw/zinc/87/92/62/500879262.db2.gz JZZKLKRWPZTRRY-LJQANCHMSA-N 1 2 350.378 3.103 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000444688465 500879263 /nfs/dbraw/zinc/87/92/63/500879263.db2.gz JZZKLKRWPZTRRY-LJQANCHMSA-N 1 2 350.378 3.103 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)nc2c1 ZINC000444688529 500879403 /nfs/dbraw/zinc/87/94/03/500879403.db2.gz ZJFNBXFOUCRMAJ-UHFFFAOYSA-N 1 2 368.397 3.111 20 5 FGBDLO C[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449025574 500901799 /nfs/dbraw/zinc/90/17/99/500901799.db2.gz HNVBREAOCZDJLZ-CQSZACIVSA-N 1 2 374.462 3.160 20 5 FGBDLO C[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449025574 500901801 /nfs/dbraw/zinc/90/18/01/500901801.db2.gz HNVBREAOCZDJLZ-CQSZACIVSA-N 1 2 374.462 3.160 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592746173 506226906 /nfs/dbraw/zinc/22/69/06/506226906.db2.gz PCMYUHCIJIDHKS-AWEZNQCLSA-N 1 2 352.394 3.013 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000445819572 501036902 /nfs/dbraw/zinc/03/69/02/501036902.db2.gz PTWRFQHFJDMWPO-WCEBEWAISA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000445819572 501036904 /nfs/dbraw/zinc/03/69/04/501036904.db2.gz PTWRFQHFJDMWPO-WCEBEWAISA-N 1 2 370.409 3.464 20 5 FGBDLO Cc1cc(C)c(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449732942 501071496 /nfs/dbraw/zinc/07/14/96/501071496.db2.gz FOIAFTHLSFQXHL-GOSISDBHSA-N 1 2 351.410 3.219 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000446179233 501085821 /nfs/dbraw/zinc/08/58/21/501085821.db2.gz IQEJFIJVERZHCP-NHYWBVRUSA-N 1 2 362.817 3.476 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000441116942 501090759 /nfs/dbraw/zinc/09/07/59/501090759.db2.gz CRCXBXMZFZRCNN-SFHVURJKSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000441116942 501090763 /nfs/dbraw/zinc/09/07/63/501090763.db2.gz CRCXBXMZFZRCNN-SFHVURJKSA-N 1 2 370.405 3.266 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735510 501159447 /nfs/dbraw/zinc/15/94/47/501159447.db2.gz KBQRJQWHERJQPQ-MRXNPFEDSA-N 1 2 367.449 3.390 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735510 501159450 /nfs/dbraw/zinc/15/94/50/501159450.db2.gz KBQRJQWHERJQPQ-MRXNPFEDSA-N 1 2 367.449 3.390 20 5 FGBDLO Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC000596065464 506238252 /nfs/dbraw/zinc/23/82/52/506238252.db2.gz HMCJMDBAMWOCKY-UHFFFAOYSA-N 1 2 374.466 3.480 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000450074771 501172795 /nfs/dbraw/zinc/17/27/95/501172795.db2.gz GLNSMZPXEYJMFP-RDJZCZTQSA-N 1 2 372.450 3.281 20 5 FGBDLO CC(C)CSCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450247069 501218258 /nfs/dbraw/zinc/21/82/58/501218258.db2.gz MOJHYSPYQFBXBU-UHFFFAOYSA-N 1 2 362.455 3.290 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)c(Br)cn1 ZINC000598963801 506248176 /nfs/dbraw/zinc/24/81/76/506248176.db2.gz PBLJZRHAQLMCEG-UHFFFAOYSA-N 1 2 366.215 3.359 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000456342419 501504264 /nfs/dbraw/zinc/50/42/64/501504264.db2.gz DNIVGSMDZISNCE-VIFPVBQESA-N 1 2 367.203 3.065 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456403402 501518940 /nfs/dbraw/zinc/51/89/40/501518940.db2.gz FRQGPGCTMFHKGA-KCJUWKMLSA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456417019 501521666 /nfs/dbraw/zinc/52/16/66/501521666.db2.gz KENFBAOYBMZDDC-KOLCDFICSA-N 1 2 366.830 3.359 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456429676 501524312 /nfs/dbraw/zinc/52/43/12/501524312.db2.gz RWPGXQNEJARIGR-NKWVEPMBSA-N 1 2 371.216 3.051 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454618285 501593210 /nfs/dbraw/zinc/59/32/10/501593210.db2.gz QHRUKFHVCORLAD-XJKSGUPXSA-N 1 2 371.441 3.490 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CN(Cc3[nH+]ccn3Cc3ccccc3)C2)cc1 ZINC000459621013 501688362 /nfs/dbraw/zinc/68/83/62/501688362.db2.gz MITTVRHTHCHEEV-UHFFFAOYSA-N 1 2 364.405 3.103 20 5 FGBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459703654 501701336 /nfs/dbraw/zinc/70/13/36/501701336.db2.gz GNEQNQPHJBACTG-CYBMUJFWSA-N 1 2 355.822 3.078 20 5 FGBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459703654 501701338 /nfs/dbraw/zinc/70/13/38/501701338.db2.gz GNEQNQPHJBACTG-CYBMUJFWSA-N 1 2 355.822 3.078 20 5 FGBDLO Cc1ccn2cc(CNc3ncc([N+](=O)[O-])cc3Br)[nH+]c2c1 ZINC000485201574 501754337 /nfs/dbraw/zinc/75/43/37/501754337.db2.gz VUJBWUUJBWXUGV-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1ccc(CC[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000460532241 501851685 /nfs/dbraw/zinc/85/16/85/501851685.db2.gz DAVDDWCEHSFQBL-ZDUSSCGKSA-N 1 2 368.393 3.433 20 5 FGBDLO O=C(C1CCCCC1)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599030985 506286063 /nfs/dbraw/zinc/28/60/63/506286063.db2.gz BQPSVAJURODPBN-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000485927484 501990118 /nfs/dbraw/zinc/99/01/18/501990118.db2.gz SORAPKDMCXITDS-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC1CC1)CC1CCC1 ZINC000478588589 502026218 /nfs/dbraw/zinc/02/62/18/502026218.db2.gz RYVLLXWWUOPSMD-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000461380250 502087409 /nfs/dbraw/zinc/08/74/09/502087409.db2.gz AUSDHJPGKMFBAP-LBPRGKRZSA-N 1 2 362.817 3.095 20 5 FGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000471630352 502093252 /nfs/dbraw/zinc/09/32/52/502093252.db2.gz YIZAUBZLQSUOGZ-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479129390 502171795 /nfs/dbraw/zinc/17/17/95/502171795.db2.gz PMZZVDXICRAMDG-GOEBONIOSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479129390 502171800 /nfs/dbraw/zinc/17/18/00/502171800.db2.gz PMZZVDXICRAMDG-GOEBONIOSA-N 1 2 369.421 3.247 20 5 FGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000469168599 502322303 /nfs/dbraw/zinc/32/23/03/502322303.db2.gz LPPUYTWIHUDMIZ-UHFFFAOYSA-N 1 2 360.844 3.003 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@H](C)O2 ZINC000599069954 506308302 /nfs/dbraw/zinc/30/83/02/506308302.db2.gz DFGYRDNESWUZJY-TYILLQQXSA-N 1 2 357.410 3.306 20 5 FGBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CC)C(=O)OCC ZINC000483445482 502395639 /nfs/dbraw/zinc/39/56/39/502395639.db2.gz WXIBJLCMYFZGIN-INIZCTEOSA-N 1 2 366.414 3.015 20 5 FGBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CC)C(=O)OCC ZINC000483445482 502395644 /nfs/dbraw/zinc/39/56/44/502395644.db2.gz WXIBJLCMYFZGIN-INIZCTEOSA-N 1 2 366.414 3.015 20 5 FGBDLO O=[N+]([O-])c1c(NC2CCN(c3cccnn3)CC2)ccc2c[nH+]ccc21 ZINC000599074987 506312012 /nfs/dbraw/zinc/31/20/12/506312012.db2.gz XFCVWKFKNFIDPZ-UHFFFAOYSA-N 1 2 350.382 3.014 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000602826515 506314673 /nfs/dbraw/zinc/31/46/73/506314673.db2.gz GZVZSWLIZAVXHT-INIZCTEOSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000602826515 506314676 /nfs/dbraw/zinc/31/46/76/506314676.db2.gz GZVZSWLIZAVXHT-INIZCTEOSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000602826515 506314681 /nfs/dbraw/zinc/31/46/81/506314681.db2.gz GZVZSWLIZAVXHT-INIZCTEOSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000602826515 506314686 /nfs/dbraw/zinc/31/46/86/506314686.db2.gz GZVZSWLIZAVXHT-INIZCTEOSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cn2c1 ZINC000487998541 502594667 /nfs/dbraw/zinc/59/46/67/502594667.db2.gz IKPOGXPBDHTGNQ-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000473505531 502614844 /nfs/dbraw/zinc/61/48/44/502614844.db2.gz FOHLIHZGPQUCIZ-UHFFFAOYSA-N 1 2 364.405 3.171 20 5 FGBDLO Cc1c(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000477025520 502652071 /nfs/dbraw/zinc/65/20/71/502652071.db2.gz TVSWGIOISPZXKT-ZDUSSCGKSA-N 1 2 356.426 3.171 20 5 FGBDLO Cc1c(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000477025520 502652078 /nfs/dbraw/zinc/65/20/78/502652078.db2.gz TVSWGIOISPZXKT-ZDUSSCGKSA-N 1 2 356.426 3.171 20 5 FGBDLO COc1cc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)c([N+](=O)[O-])cc1O ZINC000463039228 502670080 /nfs/dbraw/zinc/67/00/80/502670080.db2.gz RTNBJCNNSXLISA-GFCCVEGCSA-N 1 2 366.320 3.201 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)n1 ZINC000463197191 502717707 /nfs/dbraw/zinc/71/77/07/502717707.db2.gz HSSSUNBPACOBLB-UHFFFAOYSA-N 1 2 355.320 3.042 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000509127644 502828181 /nfs/dbraw/zinc/82/81/81/502828181.db2.gz UQWXMGGKVJMROE-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2n[nH]cc2c1 ZINC000513224183 502883478 /nfs/dbraw/zinc/88/34/78/502883478.db2.gz SBYVJDUDKWYBQY-LLVKDONJSA-N 1 2 364.365 3.372 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898861 502889021 /nfs/dbraw/zinc/88/90/21/502889021.db2.gz MZBPCMJWGMPZMV-VOKGJARPSA-N 1 2 362.361 3.069 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898861 502889025 /nfs/dbraw/zinc/88/90/25/502889025.db2.gz MZBPCMJWGMPZMV-VOKGJARPSA-N 1 2 362.361 3.069 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000599139900 506341162 /nfs/dbraw/zinc/34/11/62/506341162.db2.gz NLTWYCFWLMOCJV-KRWDZBQOSA-N 1 2 369.421 3.492 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000599139900 506341175 /nfs/dbraw/zinc/34/11/75/506341175.db2.gz NLTWYCFWLMOCJV-KRWDZBQOSA-N 1 2 369.421 3.492 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCOc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000489260279 502912966 /nfs/dbraw/zinc/91/29/66/502912966.db2.gz XRVUFSSRRJXAOF-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCOc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000489260279 502912970 /nfs/dbraw/zinc/91/29/70/502912970.db2.gz XRVUFSSRRJXAOF-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505544226 502932228 /nfs/dbraw/zinc/93/22/28/502932228.db2.gz ZXDPNYRLDOAEKF-GOSISDBHSA-N 1 2 368.368 3.002 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505557249 502935094 /nfs/dbraw/zinc/93/50/94/502935094.db2.gz HTXMXXICKPDSMI-INIZCTEOSA-N 1 2 363.776 3.174 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000513447059 502941034 /nfs/dbraw/zinc/94/10/34/502941034.db2.gz KMWSXBOKYBDAAT-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000513447059 502941038 /nfs/dbraw/zinc/94/10/38/502941038.db2.gz KMWSXBOKYBDAAT-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603389 502947490 /nfs/dbraw/zinc/94/74/90/502947490.db2.gz CTXAVPNXSMNDQX-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603389 502947494 /nfs/dbraw/zinc/94/74/94/502947494.db2.gz CTXAVPNXSMNDQX-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000505764218 502981479 /nfs/dbraw/zinc/98/14/79/502981479.db2.gz VXJNATGESBIVHW-UHFFFAOYSA-N 1 2 370.434 3.315 20 5 FGBDLO Cc1ccc(OCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513668073 502996265 /nfs/dbraw/zinc/99/62/65/502996265.db2.gz VKIFGEHTSPLVGR-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999182 503064105 /nfs/dbraw/zinc/06/41/05/503064105.db2.gz KLGPXOATIKKAKT-GOSISDBHSA-N 1 2 373.840 3.354 20 5 FGBDLO COc1cccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000514084476 503083427 /nfs/dbraw/zinc/08/34/27/503083427.db2.gz QAFRNADKIYFJKO-GOSISDBHSA-N 1 2 352.394 3.216 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000501894290 503103971 /nfs/dbraw/zinc/10/39/71/503103971.db2.gz NMDVNRXIIXAMAC-UHFFFAOYSA-N 1 2 365.393 3.260 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093387 503251500 /nfs/dbraw/zinc/25/15/00/503251500.db2.gz VNZLVLTXGQGKQW-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093387 503251504 /nfs/dbraw/zinc/25/15/04/503251504.db2.gz VNZLVLTXGQGKQW-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649532 503361773 /nfs/dbraw/zinc/36/17/73/503361773.db2.gz QBGYYRXCAVCVCU-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649532 503361776 /nfs/dbraw/zinc/36/17/76/503361776.db2.gz QBGYYRXCAVCVCU-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000492358433 503366006 /nfs/dbraw/zinc/36/60/06/503366006.db2.gz RTLOQAQMTUJCDF-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO CCOc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000492528446 503373206 /nfs/dbraw/zinc/37/32/06/503373206.db2.gz AGJKWTNNQFHECE-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000492528446 503373212 /nfs/dbraw/zinc/37/32/12/503373212.db2.gz AGJKWTNNQFHECE-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO COC(=O)c1cc(NCc2ccc[nH+]c2N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000596357681 506369553 /nfs/dbraw/zinc/36/95/53/506369553.db2.gz QBKKLHYLOFXBFY-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357607 506369676 /nfs/dbraw/zinc/36/96/76/506369676.db2.gz SKANGDGWZSJWNB-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO CCCNC(=O)C1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000509008526 503618174 /nfs/dbraw/zinc/61/81/74/503618174.db2.gz ZIPKAOHSQDCHRV-UHFFFAOYSA-N 1 2 355.385 3.192 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000509064200 503633689 /nfs/dbraw/zinc/63/36/89/503633689.db2.gz IMMDFDVHBCXVCG-UHFFFAOYSA-N 1 2 362.393 3.120 20 5 FGBDLO O=C(CSc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000509088793 503638746 /nfs/dbraw/zinc/63/87/46/503638746.db2.gz FWFTVLSCRTVJKM-UHFFFAOYSA-N 1 2 371.462 3.031 20 5 FGBDLO O=C(C[NH+]1C2CCC1CC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533237238 503771027 /nfs/dbraw/zinc/77/10/27/503771027.db2.gz GWQDYHLGGBKFHZ-UHFFFAOYSA-N 1 2 358.423 3.284 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000517580318 503777815 /nfs/dbraw/zinc/77/78/15/503777815.db2.gz LNRNSAIBDIMYJY-UHFFFAOYSA-N 1 2 354.366 3.358 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC000543482679 503790667 /nfs/dbraw/zinc/79/06/67/503790667.db2.gz MCKYKXARPUULON-UHFFFAOYSA-N 1 2 367.327 3.446 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC000543482679 503790670 /nfs/dbraw/zinc/79/06/70/503790670.db2.gz MCKYKXARPUULON-UHFFFAOYSA-N 1 2 367.327 3.446 20 5 FGBDLO Cc1cccn2cc(Cc3noc(CCc4cccc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000547099840 503984225 /nfs/dbraw/zinc/98/42/25/503984225.db2.gz AOVYSOMHRWYXGJ-UHFFFAOYSA-N 1 2 363.377 3.310 20 5 FGBDLO Cc1nc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c(C)o1 ZINC000533929013 503993522 /nfs/dbraw/zinc/99/35/22/503993522.db2.gz LIWNEIQKPZWEMY-UHFFFAOYSA-N 1 2 353.382 3.042 20 5 FGBDLO CCN(CC)c1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000541113757 504012841 /nfs/dbraw/zinc/01/28/41/504012841.db2.gz MDJGQFMZJXGXFZ-UHFFFAOYSA-N 1 2 358.398 3.235 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000530721948 504065157 /nfs/dbraw/zinc/06/51/57/504065157.db2.gz QAZKOKMAFGYAEV-UHFFFAOYSA-N 1 2 374.422 3.153 20 5 FGBDLO CCOc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000544352816 504099882 /nfs/dbraw/zinc/09/98/82/504099882.db2.gz ONUAEOWYMZWJLG-SFHVURJKSA-N 1 2 371.437 3.479 20 5 FGBDLO CCC[C@@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541348958 504100589 /nfs/dbraw/zinc/10/05/89/504100589.db2.gz SFFFMOYONRAMJG-KRWDZBQOSA-N 1 2 354.472 3.271 20 5 FGBDLO CCC[C@@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541348958 504100594 /nfs/dbraw/zinc/10/05/94/504100594.db2.gz SFFFMOYONRAMJG-KRWDZBQOSA-N 1 2 354.472 3.271 20 5 FGBDLO COCC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C)o1 ZINC000544473428 504147464 /nfs/dbraw/zinc/14/74/64/504147464.db2.gz LPDGHUAHNUCDJU-OAHLLOKOSA-N 1 2 372.381 3.414 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCCc2ccccc21 ZINC000534512072 504161148 /nfs/dbraw/zinc/16/11/48/504161148.db2.gz PTBMJZDWFLTYCW-IBGZPJMESA-N 1 2 365.433 3.147 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCCc2ccccc21 ZINC000534512072 504161154 /nfs/dbraw/zinc/16/11/54/504161154.db2.gz PTBMJZDWFLTYCW-IBGZPJMESA-N 1 2 365.433 3.147 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3c(F)cccc3F)n1)CC2 ZINC000541619261 504201628 /nfs/dbraw/zinc/20/16/28/504201628.db2.gz YSSPEFSJLOQPSC-UHFFFAOYSA-N 1 2 371.347 3.012 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3c(F)cccc3F)n1)CC2 ZINC000541619261 504201634 /nfs/dbraw/zinc/20/16/34/504201634.db2.gz YSSPEFSJLOQPSC-UHFFFAOYSA-N 1 2 371.347 3.012 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701987 504227422 /nfs/dbraw/zinc/22/74/22/504227422.db2.gz JBNIDFBJHUIRKW-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541701987 504227426 /nfs/dbraw/zinc/22/74/26/504227426.db2.gz JBNIDFBJHUIRKW-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c[nH+]1 ZINC000535035688 504322052 /nfs/dbraw/zinc/32/20/52/504322052.db2.gz DCISEAQNLOCOIO-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542632795 504559295 /nfs/dbraw/zinc/55/92/95/504559295.db2.gz XBPQOHYCRYTHIZ-SFHVURJKSA-N 1 2 356.422 3.307 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542632795 504559298 /nfs/dbraw/zinc/55/92/98/504559298.db2.gz XBPQOHYCRYTHIZ-SFHVURJKSA-N 1 2 356.422 3.307 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000521061453 504641459 /nfs/dbraw/zinc/64/14/59/504641459.db2.gz ZWWVKUUQULXUDY-LJQANCHMSA-N 1 2 356.378 3.313 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000553025621 504807754 /nfs/dbraw/zinc/80/77/54/504807754.db2.gz HCCVZBHYCNSCCK-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000553025621 504807758 /nfs/dbraw/zinc/80/77/58/504807758.db2.gz HCCVZBHYCNSCCK-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000559333334 504837649 /nfs/dbraw/zinc/83/76/49/504837649.db2.gz KWIXJHWJKQDWTK-UHFFFAOYSA-N 1 2 360.385 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000549613721 504859283 /nfs/dbraw/zinc/85/92/83/504859283.db2.gz WBGYLJVQFGHBFL-QGZVFWFLSA-N 1 2 371.441 3.285 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000553308487 504879262 /nfs/dbraw/zinc/87/92/62/504879262.db2.gz YJRIOOXIBXRCTC-UHFFFAOYSA-N 1 2 354.366 3.221 20 5 FGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000565414211 504880024 /nfs/dbraw/zinc/88/00/24/504880024.db2.gz CORILOYNQJIGHI-CQSZACIVSA-N 1 2 354.410 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000549920944 504934996 /nfs/dbraw/zinc/93/49/96/504934996.db2.gz BFJVOCSXDRLLNT-HNNXBMFYSA-N 1 2 352.394 3.315 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000550078201 504962235 /nfs/dbraw/zinc/96/22/35/504962235.db2.gz WTVQADOMFPCCKF-NSHDSACASA-N 1 2 361.364 3.053 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)n2)cc1 ZINC000550158144 504980973 /nfs/dbraw/zinc/98/09/73/504980973.db2.gz MONCKHPUIKWUIC-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC[C@@H]3CC3CCC3)n2)cc1 ZINC000550158144 504980975 /nfs/dbraw/zinc/98/09/75/504980975.db2.gz MONCKHPUIKWUIC-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO Cc1cc(N[C@@H](C)c2nnc(C(C)C)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000560257984 505030847 /nfs/dbraw/zinc/03/08/47/505030847.db2.gz YWSNAPBOHDUJRQ-LBPRGKRZSA-N 1 2 367.413 3.197 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000553951931 505051655 /nfs/dbraw/zinc/05/16/55/505051655.db2.gz KFUVWZUBHZLCJC-GFCCVEGCSA-N 1 2 374.466 3.497 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000553951931 505051660 /nfs/dbraw/zinc/05/16/60/505051660.db2.gz KFUVWZUBHZLCJC-GFCCVEGCSA-N 1 2 374.466 3.497 20 5 FGBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000554063596 505079151 /nfs/dbraw/zinc/07/91/51/505079151.db2.gz LVVIYRJLJBVZCQ-UHFFFAOYSA-N 1 2 350.378 3.446 20 5 FGBDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000566217505 505114788 /nfs/dbraw/zinc/11/47/88/505114788.db2.gz REBAZTJDLRMFED-OAHLLOKOSA-N 1 2 374.466 3.207 20 5 FGBDLO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000561259114 505295448 /nfs/dbraw/zinc/29/54/48/505295448.db2.gz KWKYSAFVNMOWHX-NHYWBVRUSA-N 1 2 374.268 3.449 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000561883420 505458689 /nfs/dbraw/zinc/45/86/89/505458689.db2.gz VZXMDNXWGPWQSS-UHFFFAOYSA-N 1 2 371.441 3.152 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000567790125 505563073 /nfs/dbraw/zinc/56/30/73/505563073.db2.gz PEOXRQWYIAYJNH-GFCCVEGCSA-N 1 2 368.842 3.108 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000567790125 505563075 /nfs/dbraw/zinc/56/30/75/505563075.db2.gz PEOXRQWYIAYJNH-GFCCVEGCSA-N 1 2 368.842 3.108 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589642 506476368 /nfs/dbraw/zinc/47/63/68/506476368.db2.gz ALNOYAPAUDLLAA-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589642 506476371 /nfs/dbraw/zinc/47/63/71/506476371.db2.gz ALNOYAPAUDLLAA-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccncc1 ZINC000596590200 506476642 /nfs/dbraw/zinc/47/66/42/506476642.db2.gz CSHKHRDYVBSRRA-ZWKOTPCHSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccncc1 ZINC000596590200 506476647 /nfs/dbraw/zinc/47/66/47/506476647.db2.gz CSHKHRDYVBSRRA-ZWKOTPCHSA-N 1 2 366.421 3.178 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000596593046 506478400 /nfs/dbraw/zinc/47/84/00/506478400.db2.gz PYDLIZMVWYSJSI-SFHVURJKSA-N 1 2 354.410 3.036 20 5 FGBDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000596593046 506478406 /nfs/dbraw/zinc/47/84/06/506478406.db2.gz PYDLIZMVWYSJSI-SFHVURJKSA-N 1 2 354.410 3.036 20 5 FGBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000596598395 506483463 /nfs/dbraw/zinc/48/34/63/506483463.db2.gz DUXUFZAHEFYLBZ-UHFFFAOYSA-N 1 2 355.398 3.054 20 5 FGBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000596598395 506483470 /nfs/dbraw/zinc/48/34/70/506483470.db2.gz DUXUFZAHEFYLBZ-UHFFFAOYSA-N 1 2 355.398 3.054 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599642759 506547243 /nfs/dbraw/zinc/54/72/43/506547243.db2.gz VQUWUUSPXTYFHC-INIZCTEOSA-N 1 2 358.398 3.215 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599642759 506547248 /nfs/dbraw/zinc/54/72/48/506547248.db2.gz VQUWUUSPXTYFHC-INIZCTEOSA-N 1 2 358.398 3.215 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000589494737 506569288 /nfs/dbraw/zinc/56/92/88/506569288.db2.gz VEPUGXZEWYXKLH-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000589494737 506569290 /nfs/dbraw/zinc/56/92/90/506569290.db2.gz VEPUGXZEWYXKLH-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000589498404 506569869 /nfs/dbraw/zinc/56/98/69/506569869.db2.gz VFUYBSIZIMQHTM-FQEVSTJZSA-N 1 2 370.405 3.129 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000589498404 506569875 /nfs/dbraw/zinc/56/98/75/506569875.db2.gz VFUYBSIZIMQHTM-FQEVSTJZSA-N 1 2 370.405 3.129 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000612614182 506651616 /nfs/dbraw/zinc/65/16/16/506651616.db2.gz GGTJLBHPMJVUQV-UHFFFAOYSA-N 1 2 357.345 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC2(CC2(F)F)CC1 ZINC000593497715 506653381 /nfs/dbraw/zinc/65/33/81/506653381.db2.gz BFJKIXIIMVIIBR-UHFFFAOYSA-N 1 2 367.396 3.053 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603961133 506673512 /nfs/dbraw/zinc/67/35/12/506673512.db2.gz HIMNXHVKFRYENR-UHFFFAOYSA-N 1 2 356.304 3.193 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590052953 506716767 /nfs/dbraw/zinc/71/67/67/506716767.db2.gz FEWUDEOHQJGBQC-MJGOQNOKSA-N 1 2 370.405 3.156 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590052953 506716772 /nfs/dbraw/zinc/71/67/72/506716772.db2.gz FEWUDEOHQJGBQC-MJGOQNOKSA-N 1 2 370.405 3.156 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599952822 506725594 /nfs/dbraw/zinc/72/55/94/506725594.db2.gz RXHLMOUXOWGUTA-UHFFFAOYSA-N 1 2 360.439 3.409 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599952822 506725597 /nfs/dbraw/zinc/72/55/97/506725597.db2.gz RXHLMOUXOWGUTA-UHFFFAOYSA-N 1 2 360.439 3.409 20 5 FGBDLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000590172860 506758784 /nfs/dbraw/zinc/75/87/84/506758784.db2.gz YWSZTDTZZNZEEX-QGZVFWFLSA-N 1 2 358.394 3.331 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000583492368 506808739 /nfs/dbraw/zinc/80/87/39/506808739.db2.gz FFIJWNCUZQLTKO-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000583492368 506808743 /nfs/dbraw/zinc/80/87/43/506808743.db2.gz FFIJWNCUZQLTKO-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234564 506821256 /nfs/dbraw/zinc/82/12/56/506821256.db2.gz VPTKSELKNJVFKQ-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234564 506821263 /nfs/dbraw/zinc/82/12/63/506821263.db2.gz VPTKSELKNJVFKQ-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597221787 506843815 /nfs/dbraw/zinc/84/38/15/506843815.db2.gz SVVPNLSMISALPZ-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597221787 506843821 /nfs/dbraw/zinc/84/38/21/506843821.db2.gz SVVPNLSMISALPZ-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991150 506852133 /nfs/dbraw/zinc/85/21/33/506852133.db2.gz CACPGFXGMCSKQV-KTYGHDLGSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991150 506852142 /nfs/dbraw/zinc/85/21/42/506852142.db2.gz CACPGFXGMCSKQV-KTYGHDLGSA-N 1 2 356.382 3.074 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccccc1[N+](=O)[O-] ZINC000593971293 506858746 /nfs/dbraw/zinc/85/87/46/506858746.db2.gz XIPTXDWXTBAQCJ-SNVBAGLBSA-N 1 2 356.304 3.177 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564180 506924211 /nfs/dbraw/zinc/92/42/11/506924211.db2.gz RBCBZKODJQWMJI-GOSISDBHSA-N 1 2 361.829 3.104 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000613286189 507011583 /nfs/dbraw/zinc/01/15/83/507011583.db2.gz ZXKGDUJWJKXREM-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000613286189 507011587 /nfs/dbraw/zinc/01/15/87/507011587.db2.gz ZXKGDUJWJKXREM-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO CCOC(=O)c1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000609960853 507054985 /nfs/dbraw/zinc/05/49/85/507054985.db2.gz GDRAWRHFHUHHKH-UHFFFAOYSA-N 1 2 371.397 3.295 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610104833 507101049 /nfs/dbraw/zinc/10/10/49/507101049.db2.gz XGXVWPIFXARYRV-GOSISDBHSA-N 1 2 371.441 3.161 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)o2)cc1 ZINC000594512707 507162721 /nfs/dbraw/zinc/16/27/21/507162721.db2.gz WIXKTFRRVJTZPT-INIZCTEOSA-N 1 2 369.381 3.114 20 5 FGBDLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610304115 507183864 /nfs/dbraw/zinc/18/38/64/507183864.db2.gz LVPLIFPARATYAV-QGZVFWFLSA-N 1 2 364.405 3.351 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000610455341 507246906 /nfs/dbraw/zinc/24/69/06/507246906.db2.gz NLTBXDYHHPSHSM-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240954 507306838 /nfs/dbraw/zinc/30/68/38/507306838.db2.gz SGLUBZCYVRLVDQ-UHFFFAOYSA-N 1 2 365.846 3.204 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000595037272 507363137 /nfs/dbraw/zinc/36/31/37/507363137.db2.gz CTVQGLWEIQGGNT-CQSZACIVSA-N 1 2 371.441 3.153 20 5 FGBDLO CC[C@H](CC(F)F)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595299513 507453633 /nfs/dbraw/zinc/45/36/33/507453633.db2.gz SSAFCGYQSSUKBK-LLVKDONJSA-N 1 2 361.414 3.096 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611252727 507582469 /nfs/dbraw/zinc/58/24/69/507582469.db2.gz BBJPIQCGASLTGS-SFHVURJKSA-N 1 2 371.437 3.151 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000595822279 507701739 /nfs/dbraw/zinc/70/17/39/507701739.db2.gz OZVSDCOPABKKJH-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000595822279 507701742 /nfs/dbraw/zinc/70/17/42/507701742.db2.gz OZVSDCOPABKKJH-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC([NH2+]c3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000602494318 507727575 /nfs/dbraw/zinc/72/75/75/507727575.db2.gz GIGRQPJMEHEQPE-UHFFFAOYSA-N 1 2 364.409 3.256 20 5 FGBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116266648 700592320 /nfs/dbraw/zinc/59/23/20/700592320.db2.gz JOEVNROBADJDQA-NSHDSACASA-N 1 2 360.801 3.439 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2c1 ZINC000247264252 713638392 /nfs/dbraw/zinc/63/83/92/713638392.db2.gz RUVNNMXJRKLDRI-RISCZKNCSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCS[C@H]4COCC[C@H]43)c2c1 ZINC000247264252 713638395 /nfs/dbraw/zinc/63/83/95/713638395.db2.gz RUVNNMXJRKLDRI-RISCZKNCSA-N 1 2 367.452 3.036 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374029396 713894480 /nfs/dbraw/zinc/89/44/80/713894480.db2.gz XFSXHHBJPQTOFN-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374029396 713894483 /nfs/dbraw/zinc/89/44/83/713894483.db2.gz XFSXHHBJPQTOFN-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000782470118 724672770 /nfs/dbraw/zinc/67/27/70/724672770.db2.gz DMABKMTZNZRGRQ-UHFFFAOYSA-N 1 2 355.822 3.301 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729473216 722459816 /nfs/dbraw/zinc/45/98/16/722459816.db2.gz SJTRDDDNIIAFKO-MRXNPFEDSA-N 1 2 350.415 3.109 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729473216 722459817 /nfs/dbraw/zinc/45/98/17/722459817.db2.gz SJTRDDDNIIAFKO-MRXNPFEDSA-N 1 2 350.415 3.109 20 5 FGBDLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000733868663 722501673 /nfs/dbraw/zinc/50/16/73/722501673.db2.gz OBGLFHFCOAZUQT-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880029 722538897 /nfs/dbraw/zinc/53/88/97/722538897.db2.gz RWLKIFYVQDAKPD-DGCLKSJQSA-N 1 2 355.460 3.391 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880029 722538898 /nfs/dbraw/zinc/53/88/98/722538898.db2.gz RWLKIFYVQDAKPD-DGCLKSJQSA-N 1 2 355.460 3.391 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cccc(Cl)c3[N+](=O)[O-])[nH+]c12 ZINC000750080514 722754034 /nfs/dbraw/zinc/75/40/34/722754034.db2.gz NYQZHXNZAMOLAC-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000793365131 723430317 /nfs/dbraw/zinc/43/03/17/723430317.db2.gz DAZKGKATAIJFIA-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)nc1-c1ccncc1 ZINC000766117293 723556893 /nfs/dbraw/zinc/55/68/93/723556893.db2.gz GNVNXRIZWUOUBJ-NSHDSACASA-N 1 2 355.320 3.085 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nc1-c1ccncc1 ZINC000766117293 723556895 /nfs/dbraw/zinc/55/68/95/723556895.db2.gz GNVNXRIZWUOUBJ-NSHDSACASA-N 1 2 355.320 3.085 20 5 FGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000784660708 724870813 /nfs/dbraw/zinc/87/08/13/724870813.db2.gz VUSFWXFAAPQSGB-UHFFFAOYSA-N 1 2 355.803 3.170 20 5 FGBDLO CC[NH+](CC)[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112975 726840304 /nfs/dbraw/zinc/84/03/04/726840304.db2.gz MVNMRJGQZZTDBZ-RISCZKNCSA-N 1 2 362.348 3.297 20 5 FGBDLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1O ZINC000813784589 726914190 /nfs/dbraw/zinc/91/41/90/726914190.db2.gz KTFUOUNDLLMQNL-DZGCQCFKSA-N 1 2 352.387 3.158 20 5 FGBDLO C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000821924704 729132645 /nfs/dbraw/zinc/13/26/45/729132645.db2.gz RHTMKZCYDLBEIN-LSDHHAIUSA-N 1 2 353.737 3.252 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000836784460 729969891 /nfs/dbraw/zinc/96/98/91/729969891.db2.gz DOQQGCOIKYMODS-CYBMUJFWSA-N 1 2 361.785 3.245 20 5 FGBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000877551086 736682824 /nfs/dbraw/zinc/68/28/24/736682824.db2.gz VXVXOLJURIAPNN-SSDOTTSWSA-N 1 2 363.727 3.246 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844441416 730719129 /nfs/dbraw/zinc/71/91/29/730719129.db2.gz YSNLOKRMHSSYJX-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844441416 730719130 /nfs/dbraw/zinc/71/91/30/730719130.db2.gz YSNLOKRMHSSYJX-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533604 736871155 /nfs/dbraw/zinc/87/11/55/736871155.db2.gz HGFMHCSNWBWDSE-GXSJLCMTSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533604 736871159 /nfs/dbraw/zinc/87/11/59/736871159.db2.gz HGFMHCSNWBWDSE-GXSJLCMTSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879273385 736975105 /nfs/dbraw/zinc/97/51/05/736975105.db2.gz UPSHVSFXDRGFPB-HNNXBMFYSA-N 1 2 356.209 3.294 20 5 FGBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c2nccn21 ZINC000883295537 737548478 /nfs/dbraw/zinc/54/84/78/737548478.db2.gz LOLVRTZRTJZXNP-JOYOIKCWSA-N 1 2 351.204 3.349 20 5 FGBDLO COc1c(O)ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000893136475 742115429 /nfs/dbraw/zinc/11/54/29/742115429.db2.gz VSMOKAUYHHXINU-GFCCVEGCSA-N 1 2 350.758 3.186 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000901039677 743216918 /nfs/dbraw/zinc/21/69/18/743216918.db2.gz HJLVADGSECDIEH-HZMBPMFUSA-N 1 2 366.780 3.307 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000931886795 760992646 /nfs/dbraw/zinc/99/26/46/760992646.db2.gz OBACGZQDETVIAI-ZDUSSCGKSA-N 1 2 362.817 3.241 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933978920 761512984 /nfs/dbraw/zinc/51/29/84/761512984.db2.gz YANIRQLCXGOACU-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933978920 761512990 /nfs/dbraw/zinc/51/29/90/761512990.db2.gz YANIRQLCXGOACU-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000015654079 211134045 /nfs/dbraw/zinc/13/40/45/211134045.db2.gz ZBYFXYHVDCKUDI-UHFFFAOYSA-N 1 2 368.349 3.050 20 5 FGBDLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000025416967 257336128 /nfs/dbraw/zinc/33/61/28/257336128.db2.gz KHUIOQPWBDLUNC-FQEVSTJZSA-N 1 2 362.389 3.308 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000573943382 505657264 /nfs/dbraw/zinc/65/72/64/505657264.db2.gz YUVPSVLCGJXIOU-ZDUSSCGKSA-N 1 2 374.388 3.303 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000028694972 493798634 /nfs/dbraw/zinc/79/86/34/493798634.db2.gz QBOPAYVPGCFDSH-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075985204 493805925 /nfs/dbraw/zinc/80/59/25/493805925.db2.gz JDKHNVOZRWKEBP-UHFFFAOYSA-N 1 2 363.805 3.145 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048320236 493815635 /nfs/dbraw/zinc/81/56/35/493815635.db2.gz YTMYHWKSUPKADL-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c[nH+]1 ZINC000058350021 493845939 /nfs/dbraw/zinc/84/59/39/493845939.db2.gz HDCADZWZMTVGFM-UHFFFAOYSA-N 1 2 367.409 3.247 20 5 FGBDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910438 493913459 /nfs/dbraw/zinc/91/34/59/493913459.db2.gz HQYKHMCYEVPXLY-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO CN1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc21 ZINC000069088083 493919512 /nfs/dbraw/zinc/91/95/12/493919512.db2.gz KHRWKALIVLBRSV-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO CN1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc21 ZINC000069088083 493919517 /nfs/dbraw/zinc/91/95/17/493919517.db2.gz KHRWKALIVLBRSV-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000052219328 494012755 /nfs/dbraw/zinc/01/27/55/494012755.db2.gz KEVFZOMVOUQJSX-BETUJISGSA-N 1 2 360.389 3.355 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245404 494014288 /nfs/dbraw/zinc/01/42/88/494014288.db2.gz CLLHJVHDFQYJBN-LBPRGKRZSA-N 1 2 362.817 3.480 20 5 FGBDLO COc1ccc(C)cc1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000007876022 494048225 /nfs/dbraw/zinc/04/82/25/494048225.db2.gz HISWVUACAWUPMU-UHFFFAOYSA-N 1 2 355.438 3.230 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000007857941 494048601 /nfs/dbraw/zinc/04/86/01/494048601.db2.gz CLNBEQWUOJWIEF-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000007857941 494048605 /nfs/dbraw/zinc/04/86/05/494048605.db2.gz CLNBEQWUOJWIEF-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000033232549 494053100 /nfs/dbraw/zinc/05/31/00/494053100.db2.gz LMMMSAPVPZXURP-AWEZNQCLSA-N 1 2 360.757 3.094 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000053330301 494117734 /nfs/dbraw/zinc/11/77/34/494117734.db2.gz WZVQXGACEFAYKA-CQSZACIVSA-N 1 2 357.410 3.324 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000053632003 494153262 /nfs/dbraw/zinc/15/32/62/494153262.db2.gz CYTYFWLSUMRQGQ-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175116 494203755 /nfs/dbraw/zinc/20/37/55/494203755.db2.gz UJDYEKLWWFZMQC-UHFFFAOYSA-N 1 2 359.451 3.359 20 5 FGBDLO COCC[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000054353687 494224165 /nfs/dbraw/zinc/22/41/65/494224165.db2.gz FRVVEVVSCJUQCS-SFHVURJKSA-N 1 2 357.410 3.161 20 5 FGBDLO COCC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000054353687 494224168 /nfs/dbraw/zinc/22/41/68/494224168.db2.gz FRVVEVVSCJUQCS-SFHVURJKSA-N 1 2 357.410 3.161 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607960 494253132 /nfs/dbraw/zinc/25/31/32/494253132.db2.gz KSYVMWCRXIOGGH-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607960 494253135 /nfs/dbraw/zinc/25/31/35/494253135.db2.gz KSYVMWCRXIOGGH-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066564103 494356333 /nfs/dbraw/zinc/35/63/33/494356333.db2.gz LRGGIIZPYAMPQH-SNVBAGLBSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066564103 494356337 /nfs/dbraw/zinc/35/63/37/494356337.db2.gz LRGGIIZPYAMPQH-SNVBAGLBSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1sc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000045143547 494401208 /nfs/dbraw/zinc/40/12/08/494401208.db2.gz XUINHGFTQRKTNX-UHFFFAOYSA-N 1 2 350.787 3.196 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045878277 494472689 /nfs/dbraw/zinc/47/26/89/494472689.db2.gz RRYBBYWWXBLMHB-UHFFFAOYSA-N 1 2 355.398 3.302 20 5 FGBDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047189303 494652908 /nfs/dbraw/zinc/65/29/08/494652908.db2.gz HUDXBIIGQLBTJU-RDTXWAMCSA-N 1 2 372.425 3.106 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000057138781 494653365 /nfs/dbraw/zinc/65/33/65/494653365.db2.gz GQUWKOUMLYNIAY-STQMWFEESA-N 1 2 360.389 3.355 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000126277110 494694881 /nfs/dbraw/zinc/69/48/81/494694881.db2.gz RYZWIXFIQJWRCR-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO COc1ccccc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406612 494699980 /nfs/dbraw/zinc/69/99/80/494699980.db2.gz NVTYMBXWFIVAKH-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccccc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406612 494699983 /nfs/dbraw/zinc/69/99/83/494699983.db2.gz NVTYMBXWFIVAKH-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1C ZINC000091978280 494740552 /nfs/dbraw/zinc/74/05/52/494740552.db2.gz ZNEITAWRVCDHJC-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000093012493 494807523 /nfs/dbraw/zinc/80/75/23/494807523.db2.gz GPFKDBUOBXQOGR-GQCTYLIASA-N 1 2 361.348 3.457 20 5 FGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000093012493 494807529 /nfs/dbraw/zinc/80/75/29/494807529.db2.gz GPFKDBUOBXQOGR-GQCTYLIASA-N 1 2 361.348 3.457 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000026371054 494823023 /nfs/dbraw/zinc/82/30/23/494823023.db2.gz LJIVXYGPYCGSRM-NSHDSACASA-N 1 2 372.406 3.370 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121901407 494884870 /nfs/dbraw/zinc/88/48/70/494884870.db2.gz DBJAAHNBVRMKRO-IAGOWNOFSA-N 1 2 362.451 3.023 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121901407 494884874 /nfs/dbraw/zinc/88/48/74/494884874.db2.gz DBJAAHNBVRMKRO-IAGOWNOFSA-N 1 2 362.451 3.023 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000094127082 494952634 /nfs/dbraw/zinc/95/26/34/494952634.db2.gz SIBFPEYODPGLTD-UHFFFAOYSA-N 1 2 352.394 3.406 20 5 FGBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117972093 494966594 /nfs/dbraw/zinc/96/65/94/494966594.db2.gz AXNSZZLBRBBYCN-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122558624 494993989 /nfs/dbraw/zinc/99/39/89/494993989.db2.gz SXBDIVAVXPDALF-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000096581321 495013054 /nfs/dbraw/zinc/01/30/54/495013054.db2.gz KBMUYKZPUHMCSH-UHFFFAOYSA-N 1 2 362.187 3.283 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000128003290 495030059 /nfs/dbraw/zinc/03/00/59/495030059.db2.gz VDZFKWMHXTUUDM-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000128003290 495030062 /nfs/dbraw/zinc/03/00/62/495030062.db2.gz VDZFKWMHXTUUDM-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000111376504 495069636 /nfs/dbraw/zinc/06/96/36/495069636.db2.gz JQHLUOIZRSZYQQ-FZMZJTMJSA-N 1 2 360.439 3.070 20 5 FGBDLO Cn1cnnc1C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000101591862 495082521 /nfs/dbraw/zinc/08/25/21/495082521.db2.gz WWNOOTKQUDFJOH-UHFFFAOYSA-N 1 2 373.800 3.459 20 5 FGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000134024614 495095338 /nfs/dbraw/zinc/09/53/38/495095338.db2.gz CVSRMJPKEJCMHA-GWCFXTLKSA-N 1 2 366.219 3.036 20 5 FGBDLO C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000580449369 505762462 /nfs/dbraw/zinc/76/24/62/505762462.db2.gz OEBAKDXFECADHD-GXFFZTMASA-N 1 2 370.331 3.242 20 5 FGBDLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330449 495297099 /nfs/dbraw/zinc/29/70/99/495297099.db2.gz QJDOOJIQJBISGZ-NWDGAFQWSA-N 1 2 362.455 3.111 20 5 FGBDLO O=C1CCCCN1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000120118378 495310629 /nfs/dbraw/zinc/31/06/29/495310629.db2.gz AWFPBZOJUWTOBX-UHFFFAOYSA-N 1 2 351.834 3.225 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130012502 495327789 /nfs/dbraw/zinc/32/77/89/495327789.db2.gz ZXMINLDLKWHDRM-AWEZNQCLSA-N 1 2 359.451 3.104 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000135884087 495340711 /nfs/dbraw/zinc/34/07/11/495340711.db2.gz BPLQYKVZXRYCSO-UHFFFAOYSA-N 1 2 360.439 3.256 20 5 FGBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120307781 495348458 /nfs/dbraw/zinc/34/84/58/495348458.db2.gz KHMOPNHCECNACD-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120307781 495348462 /nfs/dbraw/zinc/34/84/62/495348462.db2.gz KHMOPNHCECNACD-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000136858257 495405975 /nfs/dbraw/zinc/40/59/75/495405975.db2.gz FXMBINSSEKBLCF-UHFFFAOYSA-N 1 2 370.274 3.085 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130961102 495472894 /nfs/dbraw/zinc/47/28/94/495472894.db2.gz STMSDSXNDDEVLE-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130961102 495472898 /nfs/dbraw/zinc/47/28/98/495472898.db2.gz STMSDSXNDDEVLE-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125636104 495474915 /nfs/dbraw/zinc/47/49/15/495474915.db2.gz WMPVXJMSBDHVSW-UHFFFAOYSA-N 1 2 361.442 3.347 20 5 FGBDLO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccnc1 ZINC000125678307 495481225 /nfs/dbraw/zinc/48/12/25/495481225.db2.gz LPCHJKRHJHNRMA-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccnc1 ZINC000125678307 495481230 /nfs/dbraw/zinc/48/12/30/495481230.db2.gz LPCHJKRHJHNRMA-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CCc1cc(NCCOC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000115519151 495512314 /nfs/dbraw/zinc/51/23/14/495512314.db2.gz ZHWFQKHFOFUOFA-QGZVFWFLSA-N 1 2 372.425 3.222 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000173463463 495541181 /nfs/dbraw/zinc/54/11/81/495541181.db2.gz JODVOMFZQUKRTK-CYBMUJFWSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000173463463 495541185 /nfs/dbraw/zinc/54/11/85/495541185.db2.gz JODVOMFZQUKRTK-CYBMUJFWSA-N 1 2 371.422 3.393 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580582253 505790792 /nfs/dbraw/zinc/79/07/92/505790792.db2.gz QGSPHMXOWQEYPB-OCCSQVGLSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580582253 505790796 /nfs/dbraw/zinc/79/07/96/505790796.db2.gz QGSPHMXOWQEYPB-OCCSQVGLSA-N 1 2 374.828 3.460 20 5 FGBDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154392199 495602001 /nfs/dbraw/zinc/60/20/01/495602001.db2.gz NCIOVQOQHUBWOW-LLVKDONJSA-N 1 2 361.345 3.236 20 5 FGBDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154392199 495602007 /nfs/dbraw/zinc/60/20/07/495602007.db2.gz NCIOVQOQHUBWOW-LLVKDONJSA-N 1 2 361.345 3.236 20 5 FGBDLO O=C(C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000154439445 495615531 /nfs/dbraw/zinc/61/55/31/495615531.db2.gz OXWKXSHSFKCIFB-INIZCTEOSA-N 1 2 360.435 3.173 20 5 FGBDLO O=C(C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000154439445 495615537 /nfs/dbraw/zinc/61/55/37/495615537.db2.gz OXWKXSHSFKCIFB-INIZCTEOSA-N 1 2 360.435 3.173 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCOCC2)cc1 ZINC000154524038 495642828 /nfs/dbraw/zinc/64/28/28/495642828.db2.gz YRKLRMNVSBGSRZ-UHFFFAOYSA-N 1 2 364.405 3.280 20 5 FGBDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182680058 495662280 /nfs/dbraw/zinc/66/22/80/495662280.db2.gz BKPSBYVNXQQAPU-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182680058 495662283 /nfs/dbraw/zinc/66/22/83/495662283.db2.gz BKPSBYVNXQQAPU-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO C[N@H+](CCOCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000154682696 495693618 /nfs/dbraw/zinc/69/36/18/495693618.db2.gz JCXFGTOZFBQNSZ-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[N@@H+](CCOCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000154682696 495693622 /nfs/dbraw/zinc/69/36/22/495693622.db2.gz JCXFGTOZFBQNSZ-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO CCc1nsc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182816797 495715599 /nfs/dbraw/zinc/71/55/99/495715599.db2.gz QCSLCRKZPRYUDC-CYBMUJFWSA-N 1 2 361.471 3.200 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000182857592 495729803 /nfs/dbraw/zinc/72/98/03/495729803.db2.gz TXZJGKXKWBJFHT-OAHLLOKOSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000173981402 495773836 /nfs/dbraw/zinc/77/38/36/495773836.db2.gz FSPOPEUNCUCGJM-ZDUSSCGKSA-N 1 2 368.393 3.428 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000179935204 495790335 /nfs/dbraw/zinc/79/03/35/495790335.db2.gz GXTNGEHKEYLGSI-UHFFFAOYSA-N 1 2 350.415 3.147 20 5 FGBDLO COc1cc(C[N@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000179935204 495790338 /nfs/dbraw/zinc/79/03/38/495790338.db2.gz GXTNGEHKEYLGSI-UHFFFAOYSA-N 1 2 350.415 3.147 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155036198 495811591 /nfs/dbraw/zinc/81/15/91/495811591.db2.gz OADBORUEOCPBER-INIZCTEOSA-N 1 2 354.410 3.110 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155036198 495811599 /nfs/dbraw/zinc/81/15/99/495811599.db2.gz OADBORUEOCPBER-INIZCTEOSA-N 1 2 354.410 3.110 20 5 FGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N)[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000151693486 495921693 /nfs/dbraw/zinc/92/16/93/495921693.db2.gz CPTRGQNBJGYOSW-CHWSQXEVSA-N 1 2 369.425 3.307 20 5 FGBDLO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000183544273 496025801 /nfs/dbraw/zinc/02/58/01/496025801.db2.gz SVSKWLRGMSZMDX-UHFFFAOYSA-N 1 2 370.409 3.059 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000183670145 496071967 /nfs/dbraw/zinc/07/19/67/496071967.db2.gz MFZOSJNXWXMFCE-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177494999 496086171 /nfs/dbraw/zinc/08/61/71/496086171.db2.gz IKGZQRUCYGWZCG-UHFFFAOYSA-N 1 2 361.442 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1nc2ccccc2o1 ZINC000156199687 496184538 /nfs/dbraw/zinc/18/45/38/496184538.db2.gz IOUXERQLANLODD-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156199687 496184541 /nfs/dbraw/zinc/18/45/41/496184541.db2.gz IOUXERQLANLODD-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000172148607 496185551 /nfs/dbraw/zinc/18/55/51/496185551.db2.gz NDMZZQHSMVYJTI-CQSZACIVSA-N 1 2 365.393 3.399 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172168530 496193477 /nfs/dbraw/zinc/19/34/77/496193477.db2.gz ITFKHIHZEZWTGI-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172168530 496193486 /nfs/dbraw/zinc/19/34/86/496193486.db2.gz ITFKHIHZEZWTGI-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177838768 496217298 /nfs/dbraw/zinc/21/72/98/496217298.db2.gz DQOHAWMDCULHDM-ZDUSSCGKSA-N 1 2 352.394 3.439 20 5 FGBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000569014699 505830901 /nfs/dbraw/zinc/83/09/01/505830901.db2.gz MAUUDJSJMZQHQH-UHFFFAOYSA-N 1 2 363.801 3.108 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184122249 496248368 /nfs/dbraw/zinc/24/83/68/496248368.db2.gz UGKWYXRWKXWPOW-UHFFFAOYSA-N 1 2 369.425 3.351 20 5 FGBDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000175164010 496273183 /nfs/dbraw/zinc/27/31/83/496273183.db2.gz VCUKHGMLFZPWOZ-INIZCTEOSA-N 1 2 359.451 3.441 20 5 FGBDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000175164010 496273185 /nfs/dbraw/zinc/27/31/85/496273185.db2.gz VCUKHGMLFZPWOZ-INIZCTEOSA-N 1 2 359.451 3.441 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184477731 496402653 /nfs/dbraw/zinc/40/26/53/496402653.db2.gz DJKHILSRLNKVBH-SNVBAGLBSA-N 1 2 362.455 3.299 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c([N+](=O)[O-])cc1OC ZINC000162793562 496414510 /nfs/dbraw/zinc/41/45/10/496414510.db2.gz XOXNGIAIXCEJRH-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000172870774 496468740 /nfs/dbraw/zinc/46/87/40/496468740.db2.gz OIOCOAFLJNYAOA-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000172933035 496494822 /nfs/dbraw/zinc/49/48/22/496494822.db2.gz UHKPNBMRJKQZQJ-UHFFFAOYSA-N 1 2 368.315 3.287 20 5 FGBDLO Cc1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000153655329 496535019 /nfs/dbraw/zinc/53/50/19/496535019.db2.gz BNHRWFUONTWYTH-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cn21 ZINC000153819286 496589850 /nfs/dbraw/zinc/58/98/50/496589850.db2.gz XCMWURIVYWUGFO-UHFFFAOYSA-N 1 2 361.361 3.029 20 5 FGBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158183023 496644771 /nfs/dbraw/zinc/64/47/71/496644771.db2.gz NJACMMZMDDLYJS-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158183023 496644777 /nfs/dbraw/zinc/64/47/77/496644777.db2.gz NJACMMZMDDLYJS-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO Cc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)c([N+](=O)[O-])c1 ZINC000154018690 496657035 /nfs/dbraw/zinc/65/70/35/496657035.db2.gz HIFKJJAMASSUOF-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO COc1ccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC000154038761 496664252 /nfs/dbraw/zinc/66/42/52/496664252.db2.gz OEYQLCYZYHMAIZ-UHFFFAOYSA-N 1 2 367.409 3.209 20 5 FGBDLO Cc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000154058788 496670846 /nfs/dbraw/zinc/67/08/46/496670846.db2.gz IPKZMUQOAPNSCL-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000188069771 496671162 /nfs/dbraw/zinc/67/11/62/496671162.db2.gz XKXRMMUGRKGKIS-OAHLLOKOSA-N 1 2 354.410 3.122 20 5 FGBDLO CC(C)c1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000188121685 496692439 /nfs/dbraw/zinc/69/24/39/496692439.db2.gz OPGPKESBYBHMRK-UHFFFAOYSA-N 1 2 365.393 3.229 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179151294 496693258 /nfs/dbraw/zinc/69/32/58/496693258.db2.gz PKKUZTCJKCLTQY-UHFFFAOYSA-N 1 2 364.405 3.444 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c(c1)OCO2 ZINC000182296310 496727506 /nfs/dbraw/zinc/72/75/06/496727506.db2.gz GJGDXGKDLWEFON-LLVKDONJSA-N 1 2 368.349 3.224 20 5 FGBDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277382744 496754967 /nfs/dbraw/zinc/75/49/67/496754967.db2.gz JTSPOYBWSHCEAW-UHFFFAOYSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cnc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000277515865 496799404 /nfs/dbraw/zinc/79/94/04/496799404.db2.gz SVXDFMSCRBATIP-UHFFFAOYSA-N 1 2 374.466 3.202 20 5 FGBDLO O=C(NCCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191667899 496850452 /nfs/dbraw/zinc/85/04/52/496850452.db2.gz SYRZXOVJEAUUQH-UHFFFAOYSA-N 1 2 372.331 3.031 20 5 FGBDLO CC(C)Oc1nc(N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000572016561 505870779 /nfs/dbraw/zinc/87/07/79/505870779.db2.gz YHNHZGVERRBFLB-KRWDZBQOSA-N 1 2 367.409 3.134 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192176824 497023777 /nfs/dbraw/zinc/02/37/77/497023777.db2.gz IGUCNYKFVNZQTL-QWRGUYRKSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCS[C@@H](C)CC1 ZINC000192176824 497023784 /nfs/dbraw/zinc/02/37/84/497023784.db2.gz IGUCNYKFVNZQTL-QWRGUYRKSA-N 1 2 357.863 3.403 20 5 FGBDLO COc1ccc(F)cc1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000189208243 497044559 /nfs/dbraw/zinc/04/45/59/497044559.db2.gz IIJRCBKHDMICIW-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000278652436 497179896 /nfs/dbraw/zinc/17/98/96/497179896.db2.gz FZMJYJKONCSPRK-ZDUSSCGKSA-N 1 2 352.398 3.243 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253360124 497328462 /nfs/dbraw/zinc/32/84/62/497328462.db2.gz CJFLDMDUNFAOLJ-CHWSQXEVSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253360124 497328468 /nfs/dbraw/zinc/32/84/68/497328468.db2.gz CJFLDMDUNFAOLJ-CHWSQXEVSA-N 1 2 360.439 3.258 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190167379 497383547 /nfs/dbraw/zinc/38/35/47/497383547.db2.gz DRUPXXOHZXFPDY-CQSZACIVSA-N 1 2 373.375 3.468 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190167379 497383552 /nfs/dbraw/zinc/38/35/52/497383552.db2.gz DRUPXXOHZXFPDY-CQSZACIVSA-N 1 2 373.375 3.468 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000575024527 505907300 /nfs/dbraw/zinc/90/73/00/505907300.db2.gz GQWQADJRPDNBMU-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000575024527 505907303 /nfs/dbraw/zinc/90/73/03/505907303.db2.gz GQWQADJRPDNBMU-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267002514 497465706 /nfs/dbraw/zinc/46/57/06/497465706.db2.gz HVKPNMIIKKOWOV-UHFFFAOYSA-N 1 2 353.394 3.223 20 5 FGBDLO CCc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)[nH]1 ZINC000190674415 497568163 /nfs/dbraw/zinc/56/81/63/497568163.db2.gz ILMVYDKICLFSSC-UHFFFAOYSA-N 1 2 373.457 3.442 20 5 FGBDLO CCc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000190674415 497568165 /nfs/dbraw/zinc/56/81/65/497568165.db2.gz ILMVYDKICLFSSC-UHFFFAOYSA-N 1 2 373.457 3.442 20 5 FGBDLO CCc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n[nH]1 ZINC000190674415 497568169 /nfs/dbraw/zinc/56/81/69/497568169.db2.gz ILMVYDKICLFSSC-UHFFFAOYSA-N 1 2 373.457 3.442 20 5 FGBDLO CCC(=O)c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000279990555 497611768 /nfs/dbraw/zinc/61/17/68/497611768.db2.gz GPQBTXZBRZZITO-UHFFFAOYSA-N 1 2 370.409 3.031 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272513837 497648581 /nfs/dbraw/zinc/64/85/81/497648581.db2.gz JQFBHEIEOMYNJL-IBGZPJMESA-N 1 2 366.421 3.224 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000190980707 497669993 /nfs/dbraw/zinc/66/99/93/497669993.db2.gz YEVGAIVKMYVROL-UHFFFAOYSA-N 1 2 362.426 3.385 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCC2)O1 ZINC000190980707 497670000 /nfs/dbraw/zinc/67/00/00/497670000.db2.gz YEVGAIVKMYVROL-UHFFFAOYSA-N 1 2 362.426 3.385 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000268345678 497731182 /nfs/dbraw/zinc/73/11/82/497731182.db2.gz BXODKWFMBSOCLG-RHSMWYFYSA-N 1 2 356.426 3.179 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000194715345 497747446 /nfs/dbraw/zinc/74/74/46/497747446.db2.gz ILAMXXNSAXVYEW-HNNXBMFYSA-N 1 2 363.364 3.214 20 5 FGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288587347 497837913 /nfs/dbraw/zinc/83/79/13/497837913.db2.gz CWIPYOWKIBDLPQ-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288587347 497837921 /nfs/dbraw/zinc/83/79/21/497837921.db2.gz CWIPYOWKIBDLPQ-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([S@](C)=O)cc1 ZINC000285113617 497998994 /nfs/dbraw/zinc/99/89/94/497998994.db2.gz ABNBXQWXBLUXHM-ZZDSUILFSA-N 1 2 354.378 3.461 20 5 FGBDLO Cc1nn(C)c(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)c1[N+](=O)[O-] ZINC000301260322 498026243 /nfs/dbraw/zinc/02/62/43/498026243.db2.gz GRLLPOLRYQTZMS-OAHLLOKOSA-N 1 2 366.425 3.411 20 5 FGBDLO Cc1ccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301303663 498048638 /nfs/dbraw/zinc/04/86/38/498048638.db2.gz SMYHDXSATRSZSA-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285392862 498071931 /nfs/dbraw/zinc/07/19/31/498071931.db2.gz CBSJSHBUUPRLOS-ZDUSSCGKSA-N 1 2 354.275 3.152 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285392862 498071939 /nfs/dbraw/zinc/07/19/39/498071939.db2.gz CBSJSHBUUPRLOS-ZDUSSCGKSA-N 1 2 354.275 3.152 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000301428882 498106572 /nfs/dbraw/zinc/10/65/72/498106572.db2.gz FMWMTTZTLJTLKJ-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000301428882 498106576 /nfs/dbraw/zinc/10/65/76/498106576.db2.gz FMWMTTZTLJTLKJ-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO COC(=O)c1cc(NCc2ccc(N3CCCC3)[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000301559484 498162411 /nfs/dbraw/zinc/16/24/11/498162411.db2.gz JWJLFHHBXYUZJM-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000296745782 498179782 /nfs/dbraw/zinc/17/97/82/498179782.db2.gz UHDOKXKFFWTOMX-SWLSCSKDSA-N 1 2 357.414 3.182 20 5 FGBDLO CCc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301680692 498222086 /nfs/dbraw/zinc/22/20/86/498222086.db2.gz UYDNGVQGCQWFPZ-JKSUJKDBSA-N 1 2 369.425 3.070 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000572577746 506001971 /nfs/dbraw/zinc/00/19/71/506001971.db2.gz TVNXPSHWDOYPOT-CYBMUJFWSA-N 1 2 352.740 3.383 20 5 FGBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285919068 498241045 /nfs/dbraw/zinc/24/10/45/498241045.db2.gz HXQSSAUVBFOKAE-GFCCVEGCSA-N 1 2 355.385 3.001 20 5 FGBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285919068 498241038 /nfs/dbraw/zinc/24/10/38/498241038.db2.gz HXQSSAUVBFOKAE-GFCCVEGCSA-N 1 2 355.385 3.001 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000360656261 498294313 /nfs/dbraw/zinc/29/43/13/498294313.db2.gz GDCRVLNHCAGPHR-UHFFFAOYSA-N 1 2 352.350 3.013 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000286389807 498382413 /nfs/dbraw/zinc/38/24/13/498382413.db2.gz GXTMLVCQLGFVAB-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000286389807 498382415 /nfs/dbraw/zinc/38/24/15/498382415.db2.gz GXTMLVCQLGFVAB-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000302089890 498402811 /nfs/dbraw/zinc/40/28/11/498402811.db2.gz LULVDDBXZXAKSE-UHFFFAOYSA-N 1 2 354.366 3.152 20 5 FGBDLO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000365405831 498450557 /nfs/dbraw/zinc/45/05/57/498450557.db2.gz XKRDLXLHQSHWBH-MDZDMXLPSA-N 1 2 366.421 3.130 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000362024792 498454685 /nfs/dbraw/zinc/45/46/85/498454685.db2.gz RJPAKKZYKMIFJN-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286678184 498473171 /nfs/dbraw/zinc/47/31/71/498473171.db2.gz VJSBKRWFHVGPJD-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286678184 498473176 /nfs/dbraw/zinc/47/31/76/498473176.db2.gz VJSBKRWFHVGPJD-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NC[C@@H](c1cccs1)[NH+]1CCOCC1)CCN2 ZINC000302419330 498481172 /nfs/dbraw/zinc/48/11/72/498481172.db2.gz IMRZPKBEMGIWRX-INIZCTEOSA-N 1 2 374.466 3.110 20 5 FGBDLO CC(C)c1n[nH]c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000293785273 498488648 /nfs/dbraw/zinc/48/86/48/498488648.db2.gz APNIFNBOGYXLIB-OAHLLOKOSA-N 1 2 368.397 3.026 20 5 FGBDLO COc1cccc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc[nH+]c12 ZINC000302468930 498490088 /nfs/dbraw/zinc/49/00/88/498490088.db2.gz TVGKOFPKVGUYHA-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000366071980 498762645 /nfs/dbraw/zinc/76/26/45/498762645.db2.gz GSOGSNJLOQGPSY-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000366071980 498762653 /nfs/dbraw/zinc/76/26/53/498762653.db2.gz GSOGSNJLOQGPSY-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO CNC(=O)C1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299392320 499045654 /nfs/dbraw/zinc/04/56/54/499045654.db2.gz LNQQPDQIWAJOLY-UHFFFAOYSA-N 1 2 369.425 3.077 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372898023 499191478 /nfs/dbraw/zinc/19/14/78/499191478.db2.gz AHDGMHPNCJNFOZ-UHFFFAOYSA-N 1 2 357.414 3.408 20 5 FGBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372910390 499193655 /nfs/dbraw/zinc/19/36/55/499193655.db2.gz YIIHMZMBLJRVJF-KBXCAEBGSA-N 1 2 351.410 3.413 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370535352 499229727 /nfs/dbraw/zinc/22/97/27/499229727.db2.gz YCULHPAWUHVJHM-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370535352 499229728 /nfs/dbraw/zinc/22/97/28/499229728.db2.gz YCULHPAWUHVJHM-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000367795282 499234368 /nfs/dbraw/zinc/23/43/68/499234368.db2.gz OCJRSHUYZFIFND-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000367795282 499234370 /nfs/dbraw/zinc/23/43/70/499234370.db2.gz OCJRSHUYZFIFND-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370965393 499275727 /nfs/dbraw/zinc/27/57/27/499275727.db2.gz NLGURPLGFPGODB-HOCLYGCPSA-N 1 2 371.441 3.346 20 5 FGBDLO CC[C@@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000372252177 499413531 /nfs/dbraw/zinc/41/35/31/499413531.db2.gz RDPARBJEHIADNW-DOTOQJQBSA-N 1 2 371.441 3.428 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)n1 ZINC000369697302 499437487 /nfs/dbraw/zinc/43/74/87/499437487.db2.gz ZNIWWVAOCIFVKB-UHFFFAOYSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)c1 ZINC000373565693 499477095 /nfs/dbraw/zinc/47/70/95/499477095.db2.gz DXKYHIICENJPAW-MRXNPFEDSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)c1 ZINC000373565693 499477096 /nfs/dbraw/zinc/47/70/96/499477096.db2.gz DXKYHIICENJPAW-MRXNPFEDSA-N 1 2 371.372 3.423 20 5 FGBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488785 499523609 /nfs/dbraw/zinc/52/36/09/499523609.db2.gz BLWBPGOFICXAOH-DOTOQJQBSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488785 499523611 /nfs/dbraw/zinc/52/36/11/499523611.db2.gz BLWBPGOFICXAOH-DOTOQJQBSA-N 1 2 374.393 3.007 20 5 FGBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000375942719 499570273 /nfs/dbraw/zinc/57/02/73/499570273.db2.gz VZXCJNIEDGZRHI-NSHDSACASA-N 1 2 365.187 3.139 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000377880985 499744889 /nfs/dbraw/zinc/74/48/89/499744889.db2.gz WFVXNKCFOLNKSA-NSHDSACASA-N 1 2 363.805 3.393 20 5 FGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000413189136 499924684 /nfs/dbraw/zinc/92/46/84/499924684.db2.gz IMQFMBFZAZMWMV-MFKMUULPSA-N 1 2 355.320 3.293 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](COc4ccccc4)C3)c2c1 ZINC000413273166 499935461 /nfs/dbraw/zinc/93/54/61/499935461.db2.gz YUIRASJBKNRGEH-SFHVURJKSA-N 1 2 365.389 3.427 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429150154 500013312 /nfs/dbraw/zinc/01/33/12/500013312.db2.gz HXNVGCJSRVKLCJ-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429150154 500013315 /nfs/dbraw/zinc/01/33/15/500013315.db2.gz HXNVGCJSRVKLCJ-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1c(Cl)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC000421319238 500016417 /nfs/dbraw/zinc/01/64/17/500016417.db2.gz LGEQTXMMLUOJIF-UHFFFAOYSA-N 1 2 364.833 3.334 20 5 FGBDLO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000425438044 500106109 /nfs/dbraw/zinc/10/61/09/500106109.db2.gz ZZDFZYBZMMGFIK-LLVKDONJSA-N 1 2 371.153 3.102 20 5 FGBDLO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000425438044 500106111 /nfs/dbraw/zinc/10/61/11/500106111.db2.gz ZZDFZYBZMMGFIK-LLVKDONJSA-N 1 2 371.153 3.102 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnnn2Cc2ccccc2)C2CC2)c1 ZINC000430007701 500180697 /nfs/dbraw/zinc/18/06/97/500180697.db2.gz NOHNLGBGFGAYBQ-UHFFFAOYSA-N 1 2 363.421 3.399 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)C2CC2)c1 ZINC000430007701 500180699 /nfs/dbraw/zinc/18/06/99/500180699.db2.gz NOHNLGBGFGAYBQ-UHFFFAOYSA-N 1 2 363.421 3.399 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000430223704 500211102 /nfs/dbraw/zinc/21/11/02/500211102.db2.gz VMGVOMMFHYASKZ-KRWDZBQOSA-N 1 2 355.398 3.133 20 5 FGBDLO C[C@H](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000579481125 506186070 /nfs/dbraw/zinc/18/60/70/506186070.db2.gz UOGSGTWDGJOIFR-SNVBAGLBSA-N 1 2 356.304 3.078 20 5 FGBDLO COC(=O)COc1ccc(-c2[nH]c3c([nH+]2)c(C)ccc3C)cc1[N+](=O)[O-] ZINC000430944514 500311306 /nfs/dbraw/zinc/31/13/06/500311306.db2.gz UBASNWGPTQMCTC-UHFFFAOYSA-N 1 2 355.350 3.307 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000573428000 506192195 /nfs/dbraw/zinc/19/21/95/506192195.db2.gz UJXOMZRLIKHYLR-UHFFFAOYSA-N 1 2 365.433 3.042 20 5 FGBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000447594113 500631080 /nfs/dbraw/zinc/63/10/80/500631080.db2.gz WYMGZLKBIGMXAL-JKSUJKDBSA-N 1 2 356.430 3.382 20 5 FGBDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)s1 ZINC000433138715 500633804 /nfs/dbraw/zinc/63/38/04/500633804.db2.gz ZFJAJDHBZIVGQK-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437577157 500662904 /nfs/dbraw/zinc/66/29/04/500662904.db2.gz LLTRQCCJWRUUFJ-SUMWQHHRSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437577157 500662907 /nfs/dbraw/zinc/66/29/07/500662907.db2.gz LLTRQCCJWRUUFJ-SUMWQHHRSA-N 1 2 355.394 3.377 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437579381 500663528 /nfs/dbraw/zinc/66/35/28/500663528.db2.gz IEXDUBSUFPNYQW-UHFFFAOYSA-N 1 2 369.450 3.369 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(Cl)cn1 ZINC000447817991 500669557 /nfs/dbraw/zinc/66/95/57/500669557.db2.gz USJRMEFFMXXGBA-UHFFFAOYSA-N 1 2 362.817 3.088 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444730953 500890031 /nfs/dbraw/zinc/89/00/31/500890031.db2.gz FZMAWTXCSPLFNG-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444730953 500890034 /nfs/dbraw/zinc/89/00/34/500890034.db2.gz FZMAWTXCSPLFNG-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828237 500908496 /nfs/dbraw/zinc/90/84/96/500908496.db2.gz LMVJLSBMEDGEQL-UHFFFAOYSA-N 1 2 368.396 3.259 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444850678 500911077 /nfs/dbraw/zinc/91/10/77/500911077.db2.gz QIQHFSCHSPSIIS-UHFFFAOYSA-N 1 2 372.428 3.072 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444981595 500928497 /nfs/dbraw/zinc/92/84/97/500928497.db2.gz QJSHJKKQZBTBJI-UHFFFAOYSA-N 1 2 368.396 3.259 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449386678 500991264 /nfs/dbraw/zinc/99/12/64/500991264.db2.gz JCCKBKSTCDVVQY-JTQLQIEISA-N 1 2 352.284 3.088 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449386678 500991265 /nfs/dbraw/zinc/99/12/65/500991265.db2.gz JCCKBKSTCDVVQY-JTQLQIEISA-N 1 2 352.284 3.088 20 5 FGBDLO CCc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445818000 501036623 /nfs/dbraw/zinc/03/66/23/501036623.db2.gz IMEHTSNUVJWKEW-GOEBONIOSA-N 1 2 358.398 3.133 20 5 FGBDLO CCc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445818000 501036625 /nfs/dbraw/zinc/03/66/25/501036625.db2.gz IMEHTSNUVJWKEW-GOEBONIOSA-N 1 2 358.398 3.133 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000446179232 501086027 /nfs/dbraw/zinc/08/60/27/501086027.db2.gz IQEJFIJVERZHCP-IAQYHMDHSA-N 1 2 362.817 3.476 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441520331 501151194 /nfs/dbraw/zinc/15/11/94/501151194.db2.gz COQXCGWRMKLQSS-QGZVFWFLSA-N 1 2 367.449 3.351 20 5 FGBDLO CC[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450611479 501166725 /nfs/dbraw/zinc/16/67/25/501166725.db2.gz IULAWJCUWQQVSY-LLVKDONJSA-N 1 2 356.304 3.241 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000446831601 501169583 /nfs/dbraw/zinc/16/95/83/501169583.db2.gz GTNMHFWVMQSSTB-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000446831601 501169585 /nfs/dbraw/zinc/16/95/85/501169585.db2.gz GTNMHFWVMQSSTB-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](Cc2ccco2)CC1 ZINC000450231983 501215515 /nfs/dbraw/zinc/21/55/15/501215515.db2.gz VJQDVIDVMPUYRD-UHFFFAOYSA-N 1 2 368.393 3.067 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nncn1C ZINC000602648544 506243166 /nfs/dbraw/zinc/24/31/66/506243166.db2.gz BLSYVPGNFDWDDE-SNVBAGLBSA-N 1 2 374.264 3.034 20 5 FGBDLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596078437 506244571 /nfs/dbraw/zinc/24/45/71/506244571.db2.gz PEVGQARMEZPZNZ-LBPRGKRZSA-N 1 2 360.380 3.052 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456293827 501490308 /nfs/dbraw/zinc/49/03/08/501490308.db2.gz XNVLECHEDKAFHX-QAPCUYQASA-N 1 2 352.394 3.041 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000459507776 501665826 /nfs/dbraw/zinc/66/58/26/501665826.db2.gz LEFKVFGZODTEDJ-MRXNPFEDSA-N 1 2 358.829 3.453 20 5 FGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000459544853 501673733 /nfs/dbraw/zinc/67/37/33/501673733.db2.gz KIUVBXADHVJNLL-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000459544853 501673735 /nfs/dbraw/zinc/67/37/35/501673735.db2.gz KIUVBXADHVJNLL-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459585579 501681829 /nfs/dbraw/zinc/68/18/29/501681829.db2.gz IMSNSUWKQGUJTA-UHFFFAOYSA-N 1 2 365.433 3.430 20 5 FGBDLO Cn1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2cccs2)n1 ZINC000459619847 501688326 /nfs/dbraw/zinc/68/83/26/501688326.db2.gz JHQBWBRQLPKQOI-UHFFFAOYSA-N 1 2 370.434 3.320 20 5 FGBDLO COCCOCc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459625086 501688950 /nfs/dbraw/zinc/68/89/50/501688950.db2.gz WPECHPRTCIUPHL-UHFFFAOYSA-N 1 2 372.421 3.021 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(C)cc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000485842081 501958991 /nfs/dbraw/zinc/95/89/91/501958991.db2.gz CISXPJAEKZPQCP-UHFFFAOYSA-N 1 2 369.421 3.217 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCc3c(C)cc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000485842081 501958995 /nfs/dbraw/zinc/95/89/95/501958995.db2.gz CISXPJAEKZPQCP-UHFFFAOYSA-N 1 2 369.421 3.217 20 5 FGBDLO Cc1c(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000478397066 501965729 /nfs/dbraw/zinc/96/57/29/501965729.db2.gz XUBKBXSCFZEXDQ-UHFFFAOYSA-N 1 2 373.800 3.204 20 5 FGBDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH]1 ZINC000464777432 502090962 /nfs/dbraw/zinc/09/09/62/502090962.db2.gz PAKKORVCJZCACO-UHFFFAOYSA-N 1 2 357.410 3.266 20 5 FGBDLO C[C@@H](c1nccs1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000468541642 502098592 /nfs/dbraw/zinc/09/85/92/502098592.db2.gz HUFAPYTUKBKMMJ-VOKGJARPSA-N 1 2 358.467 3.443 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000468541642 502098595 /nfs/dbraw/zinc/09/85/95/502098595.db2.gz HUFAPYTUKBKMMJ-VOKGJARPSA-N 1 2 358.467 3.443 20 5 FGBDLO COc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000472017489 502201009 /nfs/dbraw/zinc/20/10/09/502201009.db2.gz KXDYXQIFSFTXBB-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO CCc1n[nH]c(=O)c(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])c1CC ZINC000599057426 506299161 /nfs/dbraw/zinc/29/91/61/506299161.db2.gz PIJRKVXQLHIYDY-UHFFFAOYSA-N 1 2 353.382 3.376 20 5 FGBDLO COc1ccccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472032027 502205367 /nfs/dbraw/zinc/20/53/67/502205367.db2.gz NIEKOVCMTFQTGA-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950994 502249550 /nfs/dbraw/zinc/24/95/50/502249550.db2.gz VXBUERQOZSUZPK-UHFFFAOYSA-N 1 2 359.348 3.199 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483118125 502278955 /nfs/dbraw/zinc/27/89/55/502278955.db2.gz IBNQTNLVYMAJGF-UHFFFAOYSA-N 1 2 372.331 3.120 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259627 502331860 /nfs/dbraw/zinc/33/18/60/502331860.db2.gz XGCNGIXTCSNRAR-HNNXBMFYSA-N 1 2 370.453 3.087 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc2c[nH+]ccc21 ZINC000599074998 506311814 /nfs/dbraw/zinc/31/18/14/506311814.db2.gz ZCFCWNRJEQVBSB-KBXCAEBGSA-N 1 2 357.410 3.123 20 5 FGBDLO C=Cc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000462571103 502491364 /nfs/dbraw/zinc/49/13/64/502491364.db2.gz IVRNGCZEEJBNFO-UHFFFAOYSA-N 1 2 362.389 3.396 20 5 FGBDLO CCC1(CC)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000483906425 502517892 /nfs/dbraw/zinc/51/78/92/502517892.db2.gz GCMYIHNMBBUAQW-SJORKVTESA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480394207 502556536 /nfs/dbraw/zinc/55/65/36/502556536.db2.gz NRCFNTFPWHADBV-SUMWQHHRSA-N 1 2 354.410 3.364 20 5 FGBDLO Cn1cc([C@H]2C[C@@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCO2)cn1 ZINC000599106811 506325039 /nfs/dbraw/zinc/32/50/39/506325039.db2.gz HKQVTLCUKNYTQD-WMLDXEAASA-N 1 2 353.382 3.209 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488172459 502646626 /nfs/dbraw/zinc/64/66/26/502646626.db2.gz BABOETCOFMQYDP-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488172459 502646629 /nfs/dbraw/zinc/64/66/29/502646629.db2.gz BABOETCOFMQYDP-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000484501343 502655482 /nfs/dbraw/zinc/65/54/82/502655482.db2.gz KCCXKSMXOMNFHW-ZDUSSCGKSA-N 1 2 362.455 3.358 20 5 FGBDLO CC(C)Oc1ccnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000592999772 506327861 /nfs/dbraw/zinc/32/78/61/506327861.db2.gz RCSYQKXLHBFWPA-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO CC(C)Oc1cc[nH+]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000592999772 506327867 /nfs/dbraw/zinc/32/78/67/506327867.db2.gz RCSYQKXLHBFWPA-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO COc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(F)cc2)cc1 ZINC000470529491 502806687 /nfs/dbraw/zinc/80/66/87/502806687.db2.gz NSCDQXVEFGZFQB-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513405069 502929406 /nfs/dbraw/zinc/92/94/06/502929406.db2.gz DAHWAJBOLYCDAE-HNNXBMFYSA-N 1 2 363.801 3.219 20 5 FGBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513405069 502929409 /nfs/dbraw/zinc/92/94/09/502929409.db2.gz DAHWAJBOLYCDAE-HNNXBMFYSA-N 1 2 363.801 3.219 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513672548 502997051 /nfs/dbraw/zinc/99/70/51/502997051.db2.gz LMDGBLWWXGXMDS-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000489782678 503033505 /nfs/dbraw/zinc/03/35/05/503033505.db2.gz JWEBJBSKJJNBKL-GOEBONIOSA-N 1 2 372.425 3.058 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000510380786 503103339 /nfs/dbraw/zinc/10/33/39/503103339.db2.gz OOHSHVZUZXVQKJ-OAHLLOKOSA-N 1 2 357.414 3.014 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000510577126 503147662 /nfs/dbraw/zinc/14/76/62/503147662.db2.gz FVEUNALXLPLJIG-SNVBAGLBSA-N 1 2 350.325 3.123 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000510577126 503147665 /nfs/dbraw/zinc/14/76/65/503147665.db2.gz FVEUNALXLPLJIG-SNVBAGLBSA-N 1 2 350.325 3.123 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000498433555 503184801 /nfs/dbraw/zinc/18/48/01/503184801.db2.gz MVQREKDPGRRADY-ZDUSSCGKSA-N 1 2 370.409 3.487 20 5 FGBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000491152142 503280330 /nfs/dbraw/zinc/28/03/30/503280330.db2.gz YPQNSLDZPZYJLE-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000491152142 503280334 /nfs/dbraw/zinc/28/03/34/503280334.db2.gz YPQNSLDZPZYJLE-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])s1 ZINC000596347116 506364929 /nfs/dbraw/zinc/36/49/29/506364929.db2.gz CWCHRNLFHQAYSM-SJORKVTESA-N 1 2 359.451 3.054 20 5 FGBDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])s1 ZINC000596347116 506364936 /nfs/dbraw/zinc/36/49/36/506364936.db2.gz CWCHRNLFHQAYSM-SJORKVTESA-N 1 2 359.451 3.054 20 5 FGBDLO CCO[C@H](C)c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602965716 506368127 /nfs/dbraw/zinc/36/81/27/506368127.db2.gz MNYMKJBZTLVTIH-PXAZEXFGSA-N 1 2 365.455 3.146 20 5 FGBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000499919931 503511316 /nfs/dbraw/zinc/51/13/16/503511316.db2.gz GZBPHVIUHAKJDM-UHFFFAOYSA-N 1 2 357.757 3.268 20 5 FGBDLO COc1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC000499941136 503517010 /nfs/dbraw/zinc/51/70/10/503517010.db2.gz CFORMVUGQSSNLV-CYBMUJFWSA-N 1 2 354.765 3.219 20 5 FGBDLO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000593077524 506379599 /nfs/dbraw/zinc/37/95/99/506379599.db2.gz RTCOFRMPGFBHEV-LRDDRELGSA-N 1 2 372.425 3.262 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000532929889 503660052 /nfs/dbraw/zinc/66/00/52/503660052.db2.gz OCBDSFURNWMLLG-UHFFFAOYSA-N 1 2 363.458 3.369 20 5 FGBDLO Cc1cccn2cc(Cc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)[nH+]c12 ZINC000546494140 503767517 /nfs/dbraw/zinc/76/75/17/503767517.db2.gz KZSSGXUNSLRRPB-UHFFFAOYSA-N 1 2 363.377 3.424 20 5 FGBDLO COc1ccc(C2([NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000537058043 503791213 /nfs/dbraw/zinc/79/12/13/503791213.db2.gz GFPZUGZSXJWWSX-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccn3)n2)cc1 ZINC000533347853 503814970 /nfs/dbraw/zinc/81/49/70/503814970.db2.gz UIYZSECBCMHRLA-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccccn3)n2)cc1 ZINC000533347853 503814971 /nfs/dbraw/zinc/81/49/71/503814971.db2.gz UIYZSECBCMHRLA-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000543979141 503958876 /nfs/dbraw/zinc/95/88/76/503958876.db2.gz KUKZDZALXDDRKM-GFCCVEGCSA-N 1 2 353.382 3.453 20 5 FGBDLO Cc1cccn2cc(Cc3noc(-c4n[nH]c(C(C)C)c4[N+](=O)[O-])n3)[nH+]c12 ZINC000547095605 503981466 /nfs/dbraw/zinc/98/14/66/503981466.db2.gz ZWYPXNWAYMSHGQ-UHFFFAOYSA-N 1 2 367.369 3.038 20 5 FGBDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537635288 503986280 /nfs/dbraw/zinc/98/62/80/503986280.db2.gz KPESZELBMKKLCF-GOSISDBHSA-N 1 2 371.437 3.210 20 5 FGBDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537635288 503986287 /nfs/dbraw/zinc/98/62/87/503986287.db2.gz KPESZELBMKKLCF-GOSISDBHSA-N 1 2 371.437 3.210 20 5 FGBDLO CC(C)c1ccc(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000530865839 504113149 /nfs/dbraw/zinc/11/31/49/504113149.db2.gz GFLMWWHAMBMDIW-UHFFFAOYSA-N 1 2 358.442 3.495 20 5 FGBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000541644956 504209809 /nfs/dbraw/zinc/20/98/09/504209809.db2.gz VHNATSKKWXCWBI-LBPRGKRZSA-N 1 2 356.386 3.273 20 5 FGBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc2c(c1)OCO2 ZINC000547853265 504249188 /nfs/dbraw/zinc/24/91/88/504249188.db2.gz GMNIAXIWQAEUFI-UHFFFAOYSA-N 1 2 354.366 3.222 20 5 FGBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc2c(c1)OCO2 ZINC000547853265 504249191 /nfs/dbraw/zinc/24/91/91/504249191.db2.gz GMNIAXIWQAEUFI-UHFFFAOYSA-N 1 2 354.366 3.222 20 5 FGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC000542211625 504408453 /nfs/dbraw/zinc/40/84/53/504408453.db2.gz ILEKSERXTFOQEC-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC000542211625 504408457 /nfs/dbraw/zinc/40/84/57/504408457.db2.gz ILEKSERXTFOQEC-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000539032762 504452763 /nfs/dbraw/zinc/45/27/63/504452763.db2.gz KDWSGDSTEBHRTH-UHFFFAOYSA-N 1 2 368.397 3.244 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000542540100 504532566 /nfs/dbraw/zinc/53/25/66/504532566.db2.gz XIASQCOETDJBRZ-KRWDZBQOSA-N 1 2 355.398 3.133 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000542610761 504552357 /nfs/dbraw/zinc/55/23/57/504552357.db2.gz CUFGHEYZVZTAPJ-ZDUSSCGKSA-N 1 2 353.382 3.035 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000542611988 504552815 /nfs/dbraw/zinc/55/28/15/504552815.db2.gz HZXCJOAOJDMJEF-CYBMUJFWSA-N 1 2 368.393 3.428 20 5 FGBDLO Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c(N2CCCC2)[nH+]1 ZINC000545666932 504556945 /nfs/dbraw/zinc/55/69/45/504556945.db2.gz SOXIMGWJLHDDHX-UHFFFAOYSA-N 1 2 366.381 3.319 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC000542687841 504575818 /nfs/dbraw/zinc/57/58/18/504575818.db2.gz FIBHGNYKYDCMFE-UHFFFAOYSA-N 1 2 360.439 3.332 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000520934908 504612551 /nfs/dbraw/zinc/61/25/51/504612551.db2.gz TWAIZZRVETZRAQ-UHFFFAOYSA-N 1 2 352.394 3.399 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000520934908 504612555 /nfs/dbraw/zinc/61/25/55/504612555.db2.gz TWAIZZRVETZRAQ-UHFFFAOYSA-N 1 2 352.394 3.399 20 5 FGBDLO Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539937135 504743174 /nfs/dbraw/zinc/74/31/74/504743174.db2.gz GGHHIOCCKLCMRX-UHFFFAOYSA-N 1 2 362.296 3.002 20 5 FGBDLO C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000565108661 504796140 /nfs/dbraw/zinc/79/61/40/504796140.db2.gz IZGIEGYGXQQFOX-ZDUSSCGKSA-N 1 2 371.441 3.219 20 5 FGBDLO CC[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000559272641 504816669 /nfs/dbraw/zinc/81/66/69/504816669.db2.gz UPDPGEBOOCPUIJ-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000559272641 504816674 /nfs/dbraw/zinc/81/66/74/504816674.db2.gz UPDPGEBOOCPUIJ-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])c(C)c2Br)[nH+]1 ZINC000553266454 504868485 /nfs/dbraw/zinc/86/84/85/504868485.db2.gz FUVBVGCTGNZOCS-UHFFFAOYSA-N 1 2 365.231 3.231 20 5 FGBDLO CC(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000560074512 504984962 /nfs/dbraw/zinc/98/49/62/504984962.db2.gz CZTCANQKXHZJRF-UHFFFAOYSA-N 1 2 368.397 3.275 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000563642728 505199843 /nfs/dbraw/zinc/19/98/43/505199843.db2.gz QSSORTGSXYPMLQ-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000563642728 505199845 /nfs/dbraw/zinc/19/98/45/505199845.db2.gz QSSORTGSXYPMLQ-KRWDZBQOSA-N 1 2 370.409 3.164 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000561185850 505274940 /nfs/dbraw/zinc/27/49/40/505274940.db2.gz LAXLCRPRZKSUKS-UHFFFAOYSA-N 1 2 357.370 3.270 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000554884930 505289737 /nfs/dbraw/zinc/28/97/37/505289737.db2.gz BNGZRSZVBYKEHH-IBGZPJMESA-N 1 2 369.421 3.122 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000554884930 505289739 /nfs/dbraw/zinc/28/97/39/505289739.db2.gz BNGZRSZVBYKEHH-IBGZPJMESA-N 1 2 369.421 3.122 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000566940271 505316945 /nfs/dbraw/zinc/31/69/45/505316945.db2.gz YEIGKKGSJAXQQS-QGZVFWFLSA-N 1 2 357.410 3.089 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000561544184 505374002 /nfs/dbraw/zinc/37/40/02/505374002.db2.gz IIZKUPZHZVQCCQ-UHFFFAOYSA-N 1 2 368.437 3.071 20 5 FGBDLO CCc1cnc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552046621 505380924 /nfs/dbraw/zinc/38/09/24/505380924.db2.gz MOIDWRJHIMAHNP-MRXNPFEDSA-N 1 2 357.439 3.226 20 5 FGBDLO CCc1nc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000552046365 505381104 /nfs/dbraw/zinc/38/11/04/505381104.db2.gz FYNFPVUCYQTAGD-INIZCTEOSA-N 1 2 357.439 3.226 20 5 FGBDLO CCc1nc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000552046366 505381332 /nfs/dbraw/zinc/38/13/32/505381332.db2.gz FYNFPVUCYQTAGD-MRXNPFEDSA-N 1 2 357.439 3.226 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000561948461 505475644 /nfs/dbraw/zinc/47/56/44/505475644.db2.gz CZPWQDFJRQGICD-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000589494799 506568778 /nfs/dbraw/zinc/56/87/78/506568778.db2.gz OZKIFHMMYVFANH-UHFFFAOYSA-N 1 2 369.421 3.012 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000589510438 506573564 /nfs/dbraw/zinc/57/35/64/506573564.db2.gz DYLFJBSGQQKZSG-ZDUSSCGKSA-N 1 2 356.378 3.165 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000589510438 506573573 /nfs/dbraw/zinc/57/35/73/506573573.db2.gz DYLFJBSGQQKZSG-ZDUSSCGKSA-N 1 2 356.378 3.165 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000590035912 506711113 /nfs/dbraw/zinc/71/11/13/506711113.db2.gz UTMOFWSTBFSHSY-UHFFFAOYSA-N 1 2 366.421 3.187 20 5 FGBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126115 506724489 /nfs/dbraw/zinc/72/44/89/506724489.db2.gz HIJLGWCXKPYUEV-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO Cc1cn2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000608868978 506731216 /nfs/dbraw/zinc/73/12/16/506731216.db2.gz DRWHKIWTQMRSMF-UHFFFAOYSA-N 1 2 351.366 3.378 20 5 FGBDLO CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000609179210 506803388 /nfs/dbraw/zinc/80/33/88/506803388.db2.gz GWDFFHXSINLJRU-INIZCTEOSA-N 1 2 365.393 3.447 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000609191939 506808458 /nfs/dbraw/zinc/80/84/58/506808458.db2.gz NCGXVFZSHZWSFB-ZDUSSCGKSA-N 1 2 371.422 3.427 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233297 506821598 /nfs/dbraw/zinc/82/15/98/506821598.db2.gz CUPPXORMHAEVJC-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233297 506821604 /nfs/dbraw/zinc/82/16/04/506821604.db2.gz CUPPXORMHAEVJC-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234596 506822055 /nfs/dbraw/zinc/82/20/55/506822055.db2.gz XBTUPRFIPRPLHR-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234596 506822057 /nfs/dbraw/zinc/82/20/57/506822057.db2.gz XBTUPRFIPRPLHR-IBGZPJMESA-N 1 2 369.421 3.305 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000597202469 506832004 /nfs/dbraw/zinc/83/20/04/506832004.db2.gz CETJVHXAMIGERS-KRWDZBQOSA-N 1 2 373.478 3.230 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000604474411 506841924 /nfs/dbraw/zinc/84/19/24/506841924.db2.gz LLPSQDKWRLVPFX-YVMONPNESA-N 1 2 365.433 3.374 20 5 FGBDLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000613017625 506866314 /nfs/dbraw/zinc/86/63/14/506866314.db2.gz JRMHJFJDPGRMFW-UHFFFAOYSA-N 1 2 371.412 3.144 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)c1 ZINC000609442436 506881992 /nfs/dbraw/zinc/88/19/92/506881992.db2.gz FBYMCKSVRNDPCK-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1nn(C)c(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)c1[N+](=O)[O-] ZINC000609630840 506954478 /nfs/dbraw/zinc/95/44/78/506954478.db2.gz BENKGBLJOSYESF-UHFFFAOYSA-N 1 2 370.438 3.400 20 5 FGBDLO CC(C)[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC12CCC2 ZINC000583769373 506963022 /nfs/dbraw/zinc/96/30/22/506963022.db2.gz CSPDMXWSPIBGJO-QGZVFWFLSA-N 1 2 354.410 3.431 20 5 FGBDLO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000609890952 507040371 /nfs/dbraw/zinc/04/03/71/507040371.db2.gz KVIJPLOCYDZLCE-OAHLLOKOSA-N 1 2 356.854 3.192 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000584121342 507164485 /nfs/dbraw/zinc/16/44/85/507164485.db2.gz IMWCSBJCRLRQNQ-ZDUSSCGKSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000584121342 507164494 /nfs/dbraw/zinc/16/44/94/507164494.db2.gz IMWCSBJCRLRQNQ-ZDUSSCGKSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(C)c1 ZINC000594597497 507202221 /nfs/dbraw/zinc/20/22/21/507202221.db2.gz VXSMOFVRVBWPMR-UHFFFAOYSA-N 1 2 368.437 3.497 20 5 FGBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610449178 507242895 /nfs/dbraw/zinc/24/28/95/507242895.db2.gz XQJQINWGWLOZLE-GOSISDBHSA-N 1 2 368.437 3.050 20 5 FGBDLO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610449178 507242898 /nfs/dbraw/zinc/24/28/98/507242898.db2.gz XQJQINWGWLOZLE-GOSISDBHSA-N 1 2 368.437 3.050 20 5 FGBDLO COC(=O)COc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1[N+](=O)[O-] ZINC000594742578 507264304 /nfs/dbraw/zinc/26/43/04/507264304.db2.gz KZLKQXHMDCCBDB-UHFFFAOYSA-N 1 2 371.393 3.033 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610504841 507269371 /nfs/dbraw/zinc/26/93/71/507269371.db2.gz ARFQPYDXJYHHNI-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610504841 507269380 /nfs/dbraw/zinc/26/93/80/507269380.db2.gz ARFQPYDXJYHHNI-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000601149514 507276952 /nfs/dbraw/zinc/27/69/52/507276952.db2.gz NHXSYBPHGQKQJL-CYBMUJFWSA-N 1 2 361.345 3.067 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000595025641 507360402 /nfs/dbraw/zinc/36/04/02/507360402.db2.gz IMBCKWKSLDXDSK-CYBMUJFWSA-N 1 2 358.398 3.008 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135208 507498683 /nfs/dbraw/zinc/49/86/83/507498683.db2.gz BVGCWFGLHZAGSX-JSGCOSHPSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135208 507498689 /nfs/dbraw/zinc/49/86/89/507498689.db2.gz BVGCWFGLHZAGSX-JSGCOSHPSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@](CO)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000611170691 507544721 /nfs/dbraw/zinc/54/47/21/507544721.db2.gz AHDCSZNGIUXVAA-LJQANCHMSA-N 1 2 353.378 3.247 20 5 FGBDLO CCN1C[C@@H](C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000611253124 507581123 /nfs/dbraw/zinc/58/11/23/507581123.db2.gz MVPAYFKOSZVPTN-MRXNPFEDSA-N 1 2 357.410 3.020 20 5 FGBDLO CCN1C[C@@H](C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000611253124 507581127 /nfs/dbraw/zinc/58/11/27/507581127.db2.gz MVPAYFKOSZVPTN-MRXNPFEDSA-N 1 2 357.410 3.020 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000611402437 507664198 /nfs/dbraw/zinc/66/41/98/507664198.db2.gz BLVMIXZNXZOXCB-UHFFFAOYSA-N 1 2 373.434 3.394 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)cn1 ZINC000602521676 507737247 /nfs/dbraw/zinc/73/72/47/507737247.db2.gz PQTLGKHGMYYMCW-UHFFFAOYSA-N 1 2 368.441 3.066 20 5 FGBDLO CC(C)n1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602553805 507747830 /nfs/dbraw/zinc/74/78/30/507747830.db2.gz VFMZGXCSCSEAOZ-UHFFFAOYSA-N 1 2 359.249 3.486 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000153475599 705000757 /nfs/dbraw/zinc/00/07/57/705000757.db2.gz QBPOISJFRBRULH-INIZCTEOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000153475599 705000758 /nfs/dbraw/zinc/00/07/58/705000758.db2.gz QBPOISJFRBRULH-INIZCTEOSA-N 1 2 359.813 3.311 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000184108302 705917952 /nfs/dbraw/zinc/91/79/52/705917952.db2.gz TTWCPUXRFNPUDQ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000184108302 705917954 /nfs/dbraw/zinc/91/79/54/705917954.db2.gz TTWCPUXRFNPUDQ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000446348897 714035500 /nfs/dbraw/zinc/03/55/00/714035500.db2.gz NHIBJRMVQUISLE-GFCCVEGCSA-N 1 2 362.817 3.310 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000522548958 714192301 /nfs/dbraw/zinc/19/23/01/714192301.db2.gz SUIWFSPSGBNRMK-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000522548958 714192302 /nfs/dbraw/zinc/19/23/02/714192302.db2.gz SUIWFSPSGBNRMK-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@H](c1ccsc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088344 723477739 /nfs/dbraw/zinc/47/77/39/723477739.db2.gz SCXFPOHKUJNKNR-RDTXWAMCSA-N 1 2 361.467 3.069 20 5 FGBDLO C[C@@H]1C[N@H+](CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000725789764 722422553 /nfs/dbraw/zinc/42/25/53/722422553.db2.gz ORXAOUDVZXAAHD-SECBINFHSA-N 1 2 367.755 3.400 20 5 FGBDLO C[C@@H]1C[N@@H+](CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000725789764 722422555 /nfs/dbraw/zinc/42/25/55/722422555.db2.gz ORXAOUDVZXAAHD-SECBINFHSA-N 1 2 367.755 3.400 20 5 FGBDLO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558309 723258489 /nfs/dbraw/zinc/25/84/89/723258489.db2.gz RNMLEFLBYGFPLM-BZNIZROVSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558309 723258494 /nfs/dbraw/zinc/25/84/94/723258494.db2.gz RNMLEFLBYGFPLM-BZNIZROVSA-N 1 2 355.822 3.076 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796163942 723624466 /nfs/dbraw/zinc/62/44/66/723624466.db2.gz RTEBHXZXMWGMQH-CYBMUJFWSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796163942 723624468 /nfs/dbraw/zinc/62/44/68/723624468.db2.gz RTEBHXZXMWGMQH-CYBMUJFWSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796165436 723624562 /nfs/dbraw/zinc/62/45/62/723624562.db2.gz RZGPJCNEFDCXQT-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796165436 723624563 /nfs/dbraw/zinc/62/45/63/723624563.db2.gz RZGPJCNEFDCXQT-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279997 723710064 /nfs/dbraw/zinc/71/00/64/723710064.db2.gz JSPJJCKZDBJVID-UONOGXRCSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279997 723710066 /nfs/dbraw/zinc/71/00/66/723710066.db2.gz JSPJJCKZDBJVID-UONOGXRCSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579634 724161976 /nfs/dbraw/zinc/16/19/76/724161976.db2.gz NZSURQNZUNEVGK-ZWKOTPCHSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579634 724161980 /nfs/dbraw/zinc/16/19/80/724161980.db2.gz NZSURQNZUNEVGK-ZWKOTPCHSA-N 1 2 362.813 3.355 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000815634320 727087854 /nfs/dbraw/zinc/08/78/54/727087854.db2.gz IGYLFGNZBSMCKT-DTWKUNHWSA-N 1 2 366.219 3.141 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543871 729649803 /nfs/dbraw/zinc/64/98/03/729649803.db2.gz PRQLJHKIGAVXAS-NHYWBVRUSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543871 729649805 /nfs/dbraw/zinc/64/98/05/729649805.db2.gz PRQLJHKIGAVXAS-NHYWBVRUSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844440255 730719054 /nfs/dbraw/zinc/71/90/54/730719054.db2.gz QRKYVSYWYJPFDV-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844440255 730719061 /nfs/dbraw/zinc/71/90/61/730719061.db2.gz QRKYVSYWYJPFDV-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO C[C@@H](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845283673 730827041 /nfs/dbraw/zinc/82/70/41/730827041.db2.gz GHIHXFHVFIYNTB-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307848 731568196 /nfs/dbraw/zinc/56/81/96/731568196.db2.gz KFBOPONBIUZXSK-UHFFFAOYSA-N 1 2 355.410 3.469 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307848 731568197 /nfs/dbraw/zinc/56/81/97/731568197.db2.gz KFBOPONBIUZXSK-UHFFFAOYSA-N 1 2 355.410 3.469 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000856738343 732050586 /nfs/dbraw/zinc/05/05/86/732050586.db2.gz XMPLLZGUYZBTCJ-LLVKDONJSA-N 1 2 363.215 3.443 20 5 FGBDLO COCCC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000859398583 732322972 /nfs/dbraw/zinc/32/29/72/732322972.db2.gz JZRUQMXAASKVML-GFCCVEGCSA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1csc(CC2(O)CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000878926903 736934591 /nfs/dbraw/zinc/93/45/91/736934591.db2.gz QALKQSUYYYAXGL-UHFFFAOYSA-N 1 2 365.430 3.068 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000883294904 737548032 /nfs/dbraw/zinc/54/80/32/737548032.db2.gz POGJFGDBIZQDNI-AWEZNQCLSA-N 1 2 365.231 3.332 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000895484667 742418253 /nfs/dbraw/zinc/41/82/53/742418253.db2.gz SKVNCXDDJDHIJZ-UHFFFAOYSA-N 1 2 371.260 3.488 20 5 FGBDLO Cc1cn(C(C)(C)C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC000895549658 742425459 /nfs/dbraw/zinc/42/54/59/742425459.db2.gz NFKUPLKTQUTIPH-UHFFFAOYSA-N 1 2 350.806 3.147 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000897333165 742669579 /nfs/dbraw/zinc/66/95/79/742669579.db2.gz CCNUOYADITZNPZ-UHFFFAOYSA-N 1 2 354.332 3.388 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000906469954 744135134 /nfs/dbraw/zinc/13/51/34/744135134.db2.gz MEQVPMCGPFOLKH-UHFFFAOYSA-N 1 2 362.817 3.241 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935713579 761928433 /nfs/dbraw/zinc/92/84/33/761928433.db2.gz JUGHOKXEEYZLNK-CQSZACIVSA-N 1 2 359.407 3.005 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)no1 ZINC000931938522 761012098 /nfs/dbraw/zinc/01/20/98/761012098.db2.gz RVDJVOLQIXIJBA-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)no1 ZINC000931938522 761012109 /nfs/dbraw/zinc/01/21/09/761012109.db2.gz RVDJVOLQIXIJBA-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000933976863 761511614 /nfs/dbraw/zinc/51/16/14/761511614.db2.gz XFRYOFNRXYHZSK-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000933976863 761511621 /nfs/dbraw/zinc/51/16/21/761511621.db2.gz XFRYOFNRXYHZSK-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000570855159 505595967 /nfs/dbraw/zinc/59/59/67/505595967.db2.gz SLEIZQWJEOHXPA-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC4(CCCCC4)C3)n2)c1 ZINC000075832789 493783389 /nfs/dbraw/zinc/78/33/89/493783389.db2.gz KXJQOISCLXERFP-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC4(CCCCC4)C3)n2)c1 ZINC000075832789 493783392 /nfs/dbraw/zinc/78/33/92/493783392.db2.gz KXJQOISCLXERFP-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO Cc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000028694685 493798835 /nfs/dbraw/zinc/79/88/35/493798835.db2.gz KVRXXWISQLZUQI-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO COc1ccc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000057826018 493803893 /nfs/dbraw/zinc/80/38/93/493803893.db2.gz DZRZIEGSIVVUTQ-UHFFFAOYSA-N 1 2 351.366 3.376 20 5 FGBDLO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000029584598 493845753 /nfs/dbraw/zinc/84/57/53/493845753.db2.gz VATPJEYOJWDXPJ-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081581800 493922539 /nfs/dbraw/zinc/92/25/39/493922539.db2.gz AOPHDFOCZQNGDA-YJYMSZOUSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081581800 493922543 /nfs/dbraw/zinc/92/25/43/493922543.db2.gz AOPHDFOCZQNGDA-YJYMSZOUSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)cc1 ZINC000051232546 493955010 /nfs/dbraw/zinc/95/50/10/493955010.db2.gz KSGCIIQVPISAKL-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1sc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000031896223 493965181 /nfs/dbraw/zinc/96/51/81/493965181.db2.gz PLRJAJRNWAQWAC-HNNXBMFYSA-N 1 2 374.397 3.357 20 5 FGBDLO CCc1ccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000081936950 493969674 /nfs/dbraw/zinc/96/96/74/493969674.db2.gz KYPABZKJWWJMFS-UHFFFAOYSA-N 1 2 368.437 3.293 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051559447 493976179 /nfs/dbraw/zinc/97/61/79/493976179.db2.gz WTAUKBSFVVFCCA-UHFFFAOYSA-N 1 2 357.410 3.236 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051559447 493976183 /nfs/dbraw/zinc/97/61/83/493976183.db2.gz WTAUKBSFVVFCCA-UHFFFAOYSA-N 1 2 357.410 3.236 20 5 FGBDLO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000032429711 493988732 /nfs/dbraw/zinc/98/87/32/493988732.db2.gz RZSAEUJFGZPZOG-JTQLQIEISA-N 1 2 365.480 3.203 20 5 FGBDLO Cc1sc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000032429711 493988735 /nfs/dbraw/zinc/98/87/35/493988735.db2.gz RZSAEUJFGZPZOG-JTQLQIEISA-N 1 2 365.480 3.203 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000051855678 493990619 /nfs/dbraw/zinc/99/06/19/493990619.db2.gz HQIMLKRVBFWADA-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO O=[N+]([O-])c1c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc2sccn21 ZINC000063254631 494036159 /nfs/dbraw/zinc/03/61/59/494036159.db2.gz JLDCBAQYEPSICD-UHFFFAOYSA-N 1 2 358.358 3.241 20 5 FGBDLO CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000053376266 494123545 /nfs/dbraw/zinc/12/35/45/494123545.db2.gz UJRHAQNWOHTLFQ-UHFFFAOYSA-N 1 2 370.247 3.418 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000072577715 494209049 /nfs/dbraw/zinc/20/90/49/494209049.db2.gz GJRKEAUCCMCOCP-MRXNPFEDSA-N 1 2 353.422 3.422 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000043305293 494285529 /nfs/dbraw/zinc/28/55/29/494285529.db2.gz SNGWHODOTGFVDD-LPHOPBHVSA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000043305293 494285532 /nfs/dbraw/zinc/28/55/32/494285532.db2.gz SNGWHODOTGFVDD-LPHOPBHVSA-N 1 2 369.421 3.040 20 5 FGBDLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000055467375 494349022 /nfs/dbraw/zinc/34/90/22/494349022.db2.gz BBLJJLYQWOIGQM-CQSZACIVSA-N 1 2 350.378 3.331 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000016585390 494395295 /nfs/dbraw/zinc/39/52/95/494395295.db2.gz KPKVXGVRHYPRIX-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000016585390 494395298 /nfs/dbraw/zinc/39/52/98/494395298.db2.gz KPKVXGVRHYPRIX-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000055767440 494404401 /nfs/dbraw/zinc/40/44/01/494404401.db2.gz VIUPWGGNBUAGAF-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO Cc1cc(N)nc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000017725694 494416472 /nfs/dbraw/zinc/41/64/72/494416472.db2.gz KQUAQWPAMSKXKR-SECBINFHSA-N 1 2 358.383 3.179 20 5 FGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046118828 494496050 /nfs/dbraw/zinc/49/60/50/494496050.db2.gz OCQYXXKELYEKAB-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000067466469 494547272 /nfs/dbraw/zinc/54/72/72/494547272.db2.gz MJRALRXJDREXQG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000067466469 494547276 /nfs/dbraw/zinc/54/72/76/494547276.db2.gz MJRALRXJDREXQG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000074742130 494588812 /nfs/dbraw/zinc/58/88/12/494588812.db2.gz MRBQEDHCKWTVIQ-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074829356 494613286 /nfs/dbraw/zinc/61/32/86/494613286.db2.gz WXSAVUCQBHIMBH-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074829356 494613294 /nfs/dbraw/zinc/61/32/94/494613294.db2.gz WXSAVUCQBHIMBH-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CCOC(=O)c1cc(NCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000091628542 494632273 /nfs/dbraw/zinc/63/22/73/494632273.db2.gz HPKAXHRBLQGNGD-UHFFFAOYSA-N 1 2 354.366 3.340 20 5 FGBDLO CCOc1ccc(NC(=O)CSc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000024715514 494657763 /nfs/dbraw/zinc/65/77/63/494657763.db2.gz KENCCEOONWMLEI-UHFFFAOYSA-N 1 2 372.406 3.372 20 5 FGBDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047258998 494665968 /nfs/dbraw/zinc/66/59/68/494665968.db2.gz ZBHPGDQEQDPOJN-SECBINFHSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047258998 494665973 /nfs/dbraw/zinc/66/59/73/494665973.db2.gz ZBHPGDQEQDPOJN-SECBINFHSA-N 1 2 368.846 3.472 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000126241742 494684433 /nfs/dbraw/zinc/68/44/33/494684433.db2.gz ZJUCNKFVNNHKHD-UHFFFAOYSA-N 1 2 360.241 3.203 20 5 FGBDLO Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000092629969 494688894 /nfs/dbraw/zinc/68/88/94/494688894.db2.gz ZWWRNLKSSILQJT-UHFFFAOYSA-N 1 2 354.410 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4cc(F)ccc4C3)o2)cc1 ZINC000091897006 494715841 /nfs/dbraw/zinc/71/58/41/494715841.db2.gz ZSMKULCRHYGIKK-UHFFFAOYSA-N 1 2 354.341 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4cc(F)ccc4C3)o2)cc1 ZINC000091897006 494715845 /nfs/dbraw/zinc/71/58/45/494715845.db2.gz ZSMKULCRHYGIKK-UHFFFAOYSA-N 1 2 354.341 3.342 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCC[C@@H]2N1 ZINC000092703203 494717213 /nfs/dbraw/zinc/71/72/13/494717213.db2.gz QINBVXGFQHCZHM-RDJZCZTQSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCC[C@@H]2N1 ZINC000092703203 494717219 /nfs/dbraw/zinc/71/72/19/494717219.db2.gz QINBVXGFQHCZHM-RDJZCZTQSA-N 1 2 355.394 3.098 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025421836 494739316 /nfs/dbraw/zinc/73/93/16/494739316.db2.gz BBHJHHNMGWJIKF-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO O=C(C[NH+]1CCc2ccccc2CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000116300987 494756130 /nfs/dbraw/zinc/75/61/30/494756130.db2.gz OXNVMFBUTIOAKF-UHFFFAOYSA-N 1 2 359.813 3.288 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000580363645 505741432 /nfs/dbraw/zinc/74/14/32/505741432.db2.gz HMWYTYVKAZVBMF-UHFFFAOYSA-N 1 2 354.366 3.159 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000026475446 494827172 /nfs/dbraw/zinc/82/71/72/494827172.db2.gz JDEOFXNNEBFZBC-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000026475446 494827178 /nfs/dbraw/zinc/82/71/78/494827178.db2.gz JDEOFXNNEBFZBC-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126766618 494835202 /nfs/dbraw/zinc/83/52/02/494835202.db2.gz KYFPWWJQXZUIEL-IBGZPJMESA-N 1 2 358.394 3.143 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126766618 494835206 /nfs/dbraw/zinc/83/52/06/494835206.db2.gz KYFPWWJQXZUIEL-IBGZPJMESA-N 1 2 358.394 3.143 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121901755 494885201 /nfs/dbraw/zinc/88/52/01/494885201.db2.gz DBJAAHNBVRMKRO-DLBZAZTESA-N 1 2 362.451 3.023 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121901755 494885204 /nfs/dbraw/zinc/88/52/04/494885204.db2.gz DBJAAHNBVRMKRO-DLBZAZTESA-N 1 2 362.451 3.023 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093417036 494890217 /nfs/dbraw/zinc/89/02/17/494890217.db2.gz DTWWAVBRJAUMNQ-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093417036 494890223 /nfs/dbraw/zinc/89/02/23/494890223.db2.gz DTWWAVBRJAUMNQ-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC ZINC000093478430 494895188 /nfs/dbraw/zinc/89/51/88/494895188.db2.gz XCIQAMNIHGQTAX-FQEVSTJZSA-N 1 2 372.421 3.494 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC ZINC000093478430 494895190 /nfs/dbraw/zinc/89/51/90/494895190.db2.gz XCIQAMNIHGQTAX-FQEVSTJZSA-N 1 2 372.421 3.494 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000110116740 494950187 /nfs/dbraw/zinc/95/01/87/494950187.db2.gz SXMIIQHKEMVPEX-QGZVFWFLSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000110116740 494950189 /nfs/dbraw/zinc/95/01/89/494950189.db2.gz SXMIIQHKEMVPEX-QGZVFWFLSA-N 1 2 371.441 3.129 20 5 FGBDLO CC(C)c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000127907994 495016103 /nfs/dbraw/zinc/01/61/03/495016103.db2.gz CVZKISPLENBTIR-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000127907994 495016106 /nfs/dbraw/zinc/01/61/06/495016106.db2.gz CVZKISPLENBTIR-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000111312244 495062892 /nfs/dbraw/zinc/06/28/92/495062892.db2.gz AQDPGUGXACYUAA-OAHLLOKOSA-N 1 2 360.439 3.308 20 5 FGBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000111312244 495062895 /nfs/dbraw/zinc/06/28/95/495062895.db2.gz AQDPGUGXACYUAA-OAHLLOKOSA-N 1 2 360.439 3.308 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000123283542 495108580 /nfs/dbraw/zinc/10/85/80/495108580.db2.gz HOPSDNITZBGKMB-KGLIPLIRSA-N 1 2 352.398 3.291 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000102240313 495126069 /nfs/dbraw/zinc/12/60/69/495126069.db2.gz QQQKNCXKKFMRQC-UHFFFAOYSA-N 1 2 370.413 3.384 20 5 FGBDLO Cc1cccn2cc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)nc12 ZINC000124014507 495221791 /nfs/dbraw/zinc/22/17/91/495221791.db2.gz RTRWROCUIHVECC-UHFFFAOYSA-N 1 2 362.336 3.442 20 5 FGBDLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103465527 495236180 /nfs/dbraw/zinc/23/61/80/495236180.db2.gz IFWYRCZUQYHZRE-UHFFFAOYSA-N 1 2 370.384 3.214 20 5 FGBDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000124671626 495325832 /nfs/dbraw/zinc/32/58/32/495325832.db2.gz GDXBCUZQVNZCRZ-AWEZNQCLSA-N 1 2 373.409 3.166 20 5 FGBDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577689979 505775789 /nfs/dbraw/zinc/77/57/89/505775789.db2.gz OUYIURDLFGKPQM-OAHLLOKOSA-N 1 2 368.437 3.400 20 5 FGBDLO Cc1nc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000124994922 495375361 /nfs/dbraw/zinc/37/53/61/495375361.db2.gz KUPGYGJLNUSBHF-UHFFFAOYSA-N 1 2 357.439 3.392 20 5 FGBDLO Cc1nc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000124994922 495375364 /nfs/dbraw/zinc/37/53/64/495375364.db2.gz KUPGYGJLNUSBHF-UHFFFAOYSA-N 1 2 357.439 3.392 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130543886 495408717 /nfs/dbraw/zinc/40/87/17/495408717.db2.gz IJINBLNSRXKRFQ-MRXNPFEDSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130543886 495408719 /nfs/dbraw/zinc/40/87/19/495408719.db2.gz IJINBLNSRXKRFQ-MRXNPFEDSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130900975 495464259 /nfs/dbraw/zinc/46/42/59/495464259.db2.gz UCHHYLOBGCEHNG-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130900975 495464260 /nfs/dbraw/zinc/46/42/60/495464260.db2.gz UCHHYLOBGCEHNG-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000140321333 495493834 /nfs/dbraw/zinc/49/38/34/495493834.db2.gz MLOYWXGNSNWRKA-GOSISDBHSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000140321333 495493838 /nfs/dbraw/zinc/49/38/38/495493838.db2.gz MLOYWXGNSNWRKA-GOSISDBHSA-N 1 2 354.410 3.382 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000131192201 495504796 /nfs/dbraw/zinc/50/47/96/495504796.db2.gz GHSYHVXDJOVITN-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000131192201 495504800 /nfs/dbraw/zinc/50/48/00/495504800.db2.gz GHSYHVXDJOVITN-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131279787 495516087 /nfs/dbraw/zinc/51/60/87/495516087.db2.gz XRLBDZFAXYEZEV-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131279787 495516090 /nfs/dbraw/zinc/51/60/90/495516090.db2.gz XRLBDZFAXYEZEV-SUMWQHHRSA-N 1 2 373.409 3.498 20 5 FGBDLO COc1cc(C(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000107285572 495524677 /nfs/dbraw/zinc/52/46/77/495524677.db2.gz YCSQWSQZCPDQHM-UHFFFAOYSA-N 1 2 353.281 3.161 20 5 FGBDLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000145479684 495556880 /nfs/dbraw/zinc/55/68/80/495556880.db2.gz ONOLXOUMUCYZMT-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC000158785334 495588556 /nfs/dbraw/zinc/58/85/56/495588556.db2.gz NTWAGAJMNCELKH-UHFFFAOYSA-N 1 2 373.583 3.413 20 5 FGBDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182504381 495589833 /nfs/dbraw/zinc/58/98/33/495589833.db2.gz AXDWXHGYRFMJAP-ZDUSSCGKSA-N 1 2 372.400 3.149 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000179519391 495627021 /nfs/dbraw/zinc/62/70/21/495627021.db2.gz CLNRPFIOAFVUDW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000179519391 495627024 /nfs/dbraw/zinc/62/70/24/495627024.db2.gz CLNRPFIOAFVUDW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000182604113 495633135 /nfs/dbraw/zinc/63/31/35/495633135.db2.gz MYLHHZNGIOSOOY-MRXNPFEDSA-N 1 2 353.422 3.422 20 5 FGBDLO CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000179558799 495640809 /nfs/dbraw/zinc/64/08/09/495640809.db2.gz CIBMQGMTCRVULS-CLFYSBASSA-N 1 2 364.405 3.367 20 5 FGBDLO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000179558799 495640815 /nfs/dbraw/zinc/64/08/15/495640815.db2.gz CIBMQGMTCRVULS-CLFYSBASSA-N 1 2 364.405 3.367 20 5 FGBDLO COc1cc(C[NH+]2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154533681 495646328 /nfs/dbraw/zinc/64/63/28/495646328.db2.gz LJWDZGFSIXMUQC-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000170955935 495667616 /nfs/dbraw/zinc/66/76/16/495667616.db2.gz ZOHNBDKJFNNJMU-CYBMUJFWSA-N 1 2 355.394 3.161 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000170955935 495667621 /nfs/dbraw/zinc/66/76/21/495667621.db2.gz ZOHNBDKJFNNJMU-CYBMUJFWSA-N 1 2 355.394 3.161 20 5 FGBDLO C[S@](=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000159580792 495763158 /nfs/dbraw/zinc/76/31/58/495763158.db2.gz OUSGEOXRVKWCPG-QMHKHESXSA-N 1 2 352.843 3.458 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180069986 495844528 /nfs/dbraw/zinc/84/45/28/495844528.db2.gz VKXSGOVPGUHWRV-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180069986 495844529 /nfs/dbraw/zinc/84/45/29/495844529.db2.gz VKXSGOVPGUHWRV-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183253878 495900809 /nfs/dbraw/zinc/90/08/09/495900809.db2.gz MHIMRZCNOMFYCE-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186402411 495983574 /nfs/dbraw/zinc/98/35/74/495983574.db2.gz LQWZPJZYGAQBGG-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186402411 495983579 /nfs/dbraw/zinc/98/35/79/495983579.db2.gz LQWZPJZYGAQBGG-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000186422054 495992463 /nfs/dbraw/zinc/99/24/63/495992463.db2.gz QQDGFKYUVASZSZ-ZDUSSCGKSA-N 1 2 353.382 3.143 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cn21 ZINC000171946265 496104192 /nfs/dbraw/zinc/10/41/92/496104192.db2.gz UWFNUBNVEVZQBK-UHFFFAOYSA-N 1 2 351.366 3.048 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2[nH+]1 ZINC000183776473 496113909 /nfs/dbraw/zinc/11/39/09/496113909.db2.gz NOTJINNYQQHFDO-UHFFFAOYSA-N 1 2 354.370 3.043 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000172019786 496131710 /nfs/dbraw/zinc/13/17/10/496131710.db2.gz NWCOVYRUGSONHK-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000172019786 496131712 /nfs/dbraw/zinc/13/17/12/496131712.db2.gz NWCOVYRUGSONHK-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO CCCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000174853622 496134615 /nfs/dbraw/zinc/13/46/15/496134615.db2.gz IZWAIOZARQNMKA-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000174853622 496134619 /nfs/dbraw/zinc/13/46/19/496134619.db2.gz IZWAIOZARQNMKA-AWEZNQCLSA-N 1 2 360.863 3.037 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000172168192 496192380 /nfs/dbraw/zinc/19/23/80/496192380.db2.gz HELFCVVAFSUUHD-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000172168192 496192387 /nfs/dbraw/zinc/19/23/87/496192387.db2.gz HELFCVVAFSUUHD-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000184146906 496257679 /nfs/dbraw/zinc/25/76/79/496257679.db2.gz BQUJAWVPHAJCFI-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000184256322 496307022 /nfs/dbraw/zinc/30/70/22/496307022.db2.gz PZLIFYFJMXWUIT-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c(C(F)(F)F)c1 ZINC000156709151 496316118 /nfs/dbraw/zinc/31/61/18/496316118.db2.gz LBRYWNARIPCYHR-UHFFFAOYSA-N 1 2 355.320 3.111 20 5 FGBDLO O=C(C[N@H+](Cc1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181319335 496351444 /nfs/dbraw/zinc/35/14/44/496351444.db2.gz KNENGSISWBDPBE-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181319335 496351449 /nfs/dbraw/zinc/35/14/49/496351449.db2.gz KNENGSISWBDPBE-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153154644 496369633 /nfs/dbraw/zinc/36/96/33/496369633.db2.gz ASKRLOHSOVDIBW-HNNXBMFYSA-N 1 2 353.422 3.173 20 5 FGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153154644 496369637 /nfs/dbraw/zinc/36/96/37/496369637.db2.gz ASKRLOHSOVDIBW-HNNXBMFYSA-N 1 2 353.422 3.173 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000181435014 496393719 /nfs/dbraw/zinc/39/37/19/496393719.db2.gz RBMUSJUPDRPYAM-ZDUSSCGKSA-N 1 2 362.455 3.358 20 5 FGBDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153306440 496414205 /nfs/dbraw/zinc/41/42/05/496414205.db2.gz UUWPFSAFKCLHGM-QGZVFWFLSA-N 1 2 372.425 3.447 20 5 FGBDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153306440 496414210 /nfs/dbraw/zinc/41/42/10/496414210.db2.gz UUWPFSAFKCLHGM-QGZVFWFLSA-N 1 2 372.425 3.447 20 5 FGBDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000153651752 496533820 /nfs/dbraw/zinc/53/38/20/496533820.db2.gz ZSJJUHNVCJZUAM-HNNXBMFYSA-N 1 2 369.425 3.209 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000153657534 496534680 /nfs/dbraw/zinc/53/46/80/496534680.db2.gz PKJCCTRBNFEGDC-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000153827802 496593832 /nfs/dbraw/zinc/59/38/32/496593832.db2.gz YVFXUDBKZJVZGI-UHFFFAOYSA-N 1 2 369.468 3.299 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000178974637 496632766 /nfs/dbraw/zinc/63/27/66/496632766.db2.gz RNRFYBMGDLORQP-ZDUSSCGKSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000178974637 496632771 /nfs/dbraw/zinc/63/27/71/496632771.db2.gz RNRFYBMGDLORQP-ZDUSSCGKSA-N 1 2 355.320 3.042 20 5 FGBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185090002 496655577 /nfs/dbraw/zinc/65/55/77/496655577.db2.gz SCONFTCYENPLNI-JQWIXIFHSA-N 1 2 364.427 3.128 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000154020448 496657861 /nfs/dbraw/zinc/65/78/61/496657861.db2.gz SEIRLTYBAYEVJP-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182150819 496689463 /nfs/dbraw/zinc/68/94/63/496689463.db2.gz CQDXMXARHOBBCE-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000182174358 496697314 /nfs/dbraw/zinc/69/73/14/496697314.db2.gz YBNYGTDANRGBLN-UHFFFAOYSA-N 1 2 368.842 3.154 20 5 FGBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000182174358 496697316 /nfs/dbraw/zinc/69/73/16/496697316.db2.gz YBNYGTDANRGBLN-UHFFFAOYSA-N 1 2 368.842 3.154 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000182198368 496704337 /nfs/dbraw/zinc/70/43/37/496704337.db2.gz OCGHUFFJTYDQDP-HNNXBMFYSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000182198368 496704339 /nfs/dbraw/zinc/70/43/39/496704339.db2.gz OCGHUFFJTYDQDP-HNNXBMFYSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000182200273 496705437 /nfs/dbraw/zinc/70/54/37/496705437.db2.gz VYTPVNBFGJMQEW-SFHVURJKSA-N 1 2 360.435 3.206 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000182200273 496705440 /nfs/dbraw/zinc/70/54/40/496705440.db2.gz VYTPVNBFGJMQEW-SFHVURJKSA-N 1 2 360.435 3.206 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000188208636 496716792 /nfs/dbraw/zinc/71/67/92/496716792.db2.gz YIQDOSBRUYVWIB-OCCSQVGLSA-N 1 2 360.439 3.237 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182290320 496727006 /nfs/dbraw/zinc/72/70/06/496727006.db2.gz ZHPCOWVMUDGVMU-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2[nH+]1 ZINC000194967273 496776288 /nfs/dbraw/zinc/77/62/88/496776288.db2.gz WSZCDGIAVQGSJF-UHFFFAOYSA-N 1 2 356.386 3.108 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000188810702 496915939 /nfs/dbraw/zinc/91/59/39/496915939.db2.gz XLDMBILQRAXHFJ-UHFFFAOYSA-N 1 2 372.425 3.083 20 5 FGBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000191903218 496926361 /nfs/dbraw/zinc/92/63/61/496926361.db2.gz AIEGHLNJSYXOFU-UHFFFAOYSA-N 1 2 372.406 3.403 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000270107015 497059764 /nfs/dbraw/zinc/05/97/64/497059764.db2.gz MPJDMIIYDWPCFJ-CYBMUJFWSA-N 1 2 354.366 3.151 20 5 FGBDLO CC(C)Oc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000581022376 505892277 /nfs/dbraw/zinc/89/22/77/505892277.db2.gz TZOFPJAPLCFNET-UHFFFAOYSA-N 1 2 371.441 3.196 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCC2 ZINC000193076730 497295993 /nfs/dbraw/zinc/29/59/93/497295993.db2.gz OUMDBPRQOYCWBU-GOSISDBHSA-N 1 2 354.410 3.316 20 5 FGBDLO CCc1cc(N)nc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000279062672 497320753 /nfs/dbraw/zinc/32/07/53/497320753.db2.gz IXASSZSDROPWGG-SECBINFHSA-N 1 2 372.410 3.433 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190167360 497383310 /nfs/dbraw/zinc/38/33/10/497383310.db2.gz DRUPXXOHZXFPDY-AWEZNQCLSA-N 1 2 373.375 3.468 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190167360 497383315 /nfs/dbraw/zinc/38/33/15/497383315.db2.gz DRUPXXOHZXFPDY-AWEZNQCLSA-N 1 2 373.375 3.468 20 5 FGBDLO Cc1noc(CCCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000267550989 497577678 /nfs/dbraw/zinc/57/76/78/497577678.db2.gz RPRKGJBRFOHFAY-UHFFFAOYSA-N 1 2 354.370 3.096 20 5 FGBDLO COc1cc(C[NH2+]Cc2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411155 497621118 /nfs/dbraw/zinc/62/11/18/497621118.db2.gz KXHLTLCMBUIIRV-UHFFFAOYSA-N 1 2 371.340 3.142 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246218765 497664916 /nfs/dbraw/zinc/66/49/16/497664916.db2.gz ZEHVGHHKRUBJAS-DZGCQCFKSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246218765 497664919 /nfs/dbraw/zinc/66/49/19/497664919.db2.gz ZEHVGHHKRUBJAS-DZGCQCFKSA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000268116550 497681039 /nfs/dbraw/zinc/68/10/39/497681039.db2.gz JWJATZVGNVNCQS-ZDUSSCGKSA-N 1 2 373.384 3.379 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173393 497733413 /nfs/dbraw/zinc/73/34/13/497733413.db2.gz XFBDQQVFQBHWLY-COXVUDFISA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173393 497733417 /nfs/dbraw/zinc/73/34/17/497733417.db2.gz XFBDQQVFQBHWLY-COXVUDFISA-N 1 2 371.393 3.023 20 5 FGBDLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000296007526 497889105 /nfs/dbraw/zinc/88/91/05/497889105.db2.gz LHDVTXNMVROBJE-NSHDSACASA-N 1 2 360.439 3.417 20 5 FGBDLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000575237937 505948500 /nfs/dbraw/zinc/94/85/00/505948500.db2.gz BICDAEJMNCXINU-BMRADRMJSA-N 1 2 365.433 3.456 20 5 FGBDLO CCc1cc(NCCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301061917 497934205 /nfs/dbraw/zinc/93/42/05/497934205.db2.gz CNQRRKXJDMOMGX-UHFFFAOYSA-N 1 2 352.398 3.002 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000289100765 498016896 /nfs/dbraw/zinc/01/68/96/498016896.db2.gz OQTZTXAVNLCNKP-GOSISDBHSA-N 1 2 368.393 3.228 20 5 FGBDLO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301494582 498134831 /nfs/dbraw/zinc/13/48/31/498134831.db2.gz ACBUJGKEWFPDNZ-GFCCVEGCSA-N 1 2 360.380 3.052 20 5 FGBDLO CCc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000569671316 505988676 /nfs/dbraw/zinc/98/86/76/505988676.db2.gz MCJQRTYFBUHBGV-UHFFFAOYSA-N 1 2 371.418 3.237 20 5 FGBDLO CCOc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000301563988 498165477 /nfs/dbraw/zinc/16/54/77/498165477.db2.gz YRJNDUATLIARRG-UHFFFAOYSA-N 1 2 362.455 3.162 20 5 FGBDLO CCOc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000301563988 498165481 /nfs/dbraw/zinc/16/54/81/498165481.db2.gz YRJNDUATLIARRG-UHFFFAOYSA-N 1 2 362.455 3.162 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000292861644 498175247 /nfs/dbraw/zinc/17/52/47/498175247.db2.gz RMBIYPWOMJXUKO-UHFFFAOYSA-N 1 2 355.316 3.003 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000292861644 498175251 /nfs/dbraw/zinc/17/52/51/498175251.db2.gz RMBIYPWOMJXUKO-UHFFFAOYSA-N 1 2 355.316 3.003 20 5 FGBDLO C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000296745779 498179406 /nfs/dbraw/zinc/17/94/06/498179406.db2.gz UHDOKXKFFWTOMX-IUODEOHRSA-N 1 2 357.414 3.182 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000289524327 498180220 /nfs/dbraw/zinc/18/02/20/498180220.db2.gz LMPBGDMVZFWRQB-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000289524327 498180229 /nfs/dbraw/zinc/18/02/29/498180229.db2.gz LMPBGDMVZFWRQB-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1[nH+]cnc3c1cnn3-c1ccccc1)CC2 ZINC000301617241 498189324 /nfs/dbraw/zinc/18/93/24/498189324.db2.gz WDGVRJDCYNZVJX-UHFFFAOYSA-N 1 2 372.388 3.286 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859734 498299145 /nfs/dbraw/zinc/29/91/45/498299145.db2.gz DEUWXNFESGSFCL-CVEARBPZSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859734 498299150 /nfs/dbraw/zinc/29/91/50/498299150.db2.gz DEUWXNFESGSFCL-CVEARBPZSA-N 1 2 362.817 3.127 20 5 FGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000301871247 498304159 /nfs/dbraw/zinc/30/41/59/498304159.db2.gz CZHFHQSZQXHHGO-UHFFFAOYSA-N 1 2 352.398 3.052 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301896792 498316985 /nfs/dbraw/zinc/31/69/85/498316985.db2.gz QSDCODZQNCGSAT-UHFFFAOYSA-N 1 2 356.386 3.110 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000572629031 506015479 /nfs/dbraw/zinc/01/54/79/506015479.db2.gz BFALEEJDJGXMBU-SCLBCKFNSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000572629031 506015482 /nfs/dbraw/zinc/01/54/82/506015482.db2.gz BFALEEJDJGXMBU-SCLBCKFNSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000572629029 506015649 /nfs/dbraw/zinc/01/56/49/506015649.db2.gz BFALEEJDJGXMBU-ACJLOTCBSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000572629029 506015653 /nfs/dbraw/zinc/01/56/53/506015653.db2.gz BFALEEJDJGXMBU-ACJLOTCBSA-N 1 2 354.410 3.320 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360938512 498324418 /nfs/dbraw/zinc/32/44/18/498324418.db2.gz BDAVXSXPJCWFDR-KRWDZBQOSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360938512 498324422 /nfs/dbraw/zinc/32/44/22/498324422.db2.gz BDAVXSXPJCWFDR-KRWDZBQOSA-N 1 2 359.430 3.058 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000331510922 498355385 /nfs/dbraw/zinc/35/53/85/498355385.db2.gz CDWWVALXOOHPHT-LBPRGKRZSA-N 1 2 360.418 3.025 20 5 FGBDLO Cc1cc(N(C)C[C@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302046764 498384562 /nfs/dbraw/zinc/38/45/62/498384562.db2.gz NKFCFBCLSWXLQD-WBVHZDCISA-N 1 2 356.426 3.348 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000297508449 498474865 /nfs/dbraw/zinc/47/48/65/498474865.db2.gz VWEGMIFSFNBHNS-UHFFFAOYSA-N 1 2 358.398 3.119 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000302793681 498577544 /nfs/dbraw/zinc/57/75/44/498577544.db2.gz ZYGBRJMVKGLPKE-CQSZACIVSA-N 1 2 370.331 3.287 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365682440 498595709 /nfs/dbraw/zinc/59/57/09/498595709.db2.gz VQWZQPNXJHFLIU-CQSZACIVSA-N 1 2 357.414 3.357 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000332349888 498659748 /nfs/dbraw/zinc/65/97/48/498659748.db2.gz UMPNGTLJABSTBL-UHFFFAOYSA-N 1 2 362.817 3.362 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294410270 498686277 /nfs/dbraw/zinc/68/62/77/498686277.db2.gz AOWIAWYYUYJWQL-SNVBAGLBSA-N 1 2 368.315 3.357 20 5 FGBDLO Cc1nn(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1Br ZINC000572921604 506083699 /nfs/dbraw/zinc/08/36/99/506083699.db2.gz QWKKYLVZJIMMDF-UHFFFAOYSA-N 1 2 367.247 3.074 20 5 FGBDLO Cc1nn(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1Br ZINC000572921604 506083703 /nfs/dbraw/zinc/08/37/03/506083703.db2.gz QWKKYLVZJIMMDF-UHFFFAOYSA-N 1 2 367.247 3.074 20 5 FGBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000366141988 498795352 /nfs/dbraw/zinc/79/53/52/498795352.db2.gz DSIRWTKOLRCMQD-UHFFFAOYSA-N 1 2 363.377 3.442 20 5 FGBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366427255 498921480 /nfs/dbraw/zinc/92/14/80/498921480.db2.gz CGDUTNAWLNQHBI-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366427255 498921485 /nfs/dbraw/zinc/92/14/85/498921485.db2.gz CGDUTNAWLNQHBI-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291781383 499065700 /nfs/dbraw/zinc/06/57/00/499065700.db2.gz COCBXUPFCFQGEN-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000366891595 499107776 /nfs/dbraw/zinc/10/77/76/499107776.db2.gz VDKQSQRYTNHGSX-SNVBAGLBSA-N 1 2 359.386 3.498 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c2ccc(F)cc2)cn1 ZINC000367306112 499177556 /nfs/dbraw/zinc/17/75/56/499177556.db2.gz UMEFBHTVXWYNAJ-SFHVURJKSA-N 1 2 358.348 3.486 20 5 FGBDLO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)c1ccc([N+](=O)[O-])cn1 ZINC000370512150 499227461 /nfs/dbraw/zinc/22/74/61/499227461.db2.gz CJYDMSASESBJKL-UHFFFAOYSA-N 1 2 363.377 3.442 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370621845 499236460 /nfs/dbraw/zinc/23/64/60/499236460.db2.gz IMVMNTUOPGUYTJ-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370621845 499236462 /nfs/dbraw/zinc/23/64/62/499236462.db2.gz IMVMNTUOPGUYTJ-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019217 499357729 /nfs/dbraw/zinc/35/77/29/499357729.db2.gz OLWVVHJCWVXDFK-UKRRQHHQSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019217 499357731 /nfs/dbraw/zinc/35/77/31/499357731.db2.gz OLWVVHJCWVXDFK-UKRRQHHQSA-N 1 2 368.397 3.239 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC000371870775 499373730 /nfs/dbraw/zinc/37/37/30/499373730.db2.gz TVKUCVZNHCVIQV-ZDUSSCGKSA-N 1 2 369.347 3.224 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369367020 499396370 /nfs/dbraw/zinc/39/63/70/499396370.db2.gz VGKUPDSGPCPCQC-HNNXBMFYSA-N 1 2 356.426 3.472 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369411555 499400844 /nfs/dbraw/zinc/40/08/44/499400844.db2.gz LJFDCOXBHBNAML-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369411555 499400845 /nfs/dbraw/zinc/40/08/45/499400845.db2.gz LJFDCOXBHBNAML-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])CCC2 ZINC000378235453 499492852 /nfs/dbraw/zinc/49/28/52/499492852.db2.gz RATGIKGECZXQPQ-SNVBAGLBSA-N 1 2 366.219 3.247 20 5 FGBDLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404266 499514535 /nfs/dbraw/zinc/51/45/35/499514535.db2.gz NTVIVIJFETVKIJ-OCCSQVGLSA-N 1 2 365.459 3.182 20 5 FGBDLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404266 499514536 /nfs/dbraw/zinc/51/45/36/499514536.db2.gz NTVIVIJFETVKIJ-OCCSQVGLSA-N 1 2 365.459 3.182 20 5 FGBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000414129661 499763057 /nfs/dbraw/zinc/76/30/57/499763057.db2.gz ILSMJCZUTBOVFM-QMMMGPOBSA-N 1 2 355.803 3.342 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000412286353 499841437 /nfs/dbraw/zinc/84/14/37/499841437.db2.gz IHHSERPMAQUSSO-LSDHHAIUSA-N 1 2 365.393 3.279 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000413030048 499905235 /nfs/dbraw/zinc/90/52/35/499905235.db2.gz UNIZWRBUNOSZLP-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CCO[C@@H](C)c1noc(CN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413163536 499921235 /nfs/dbraw/zinc/92/12/35/499921235.db2.gz GNAZVXCWVYUSEM-NSHDSACASA-N 1 2 357.370 3.260 20 5 FGBDLO CC1(C)C[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000413331020 499942020 /nfs/dbraw/zinc/94/20/20/499942020.db2.gz HDXWBKTWXZZAKK-INIZCTEOSA-N 1 2 363.458 3.044 20 5 FGBDLO Cc1cc(N(C)Cc2noc(C3CC3)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413608647 500002632 /nfs/dbraw/zinc/00/26/32/500002632.db2.gz PKTITODLHZXHDX-UHFFFAOYSA-N 1 2 366.381 3.257 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429575496 500106660 /nfs/dbraw/zinc/10/66/60/500106660.db2.gz VHROGJRVHGQMRC-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429575496 500106664 /nfs/dbraw/zinc/10/66/64/500106664.db2.gz VHROGJRVHGQMRC-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000425463574 500114025 /nfs/dbraw/zinc/11/40/25/500114025.db2.gz WJXVDWVPPUWDSG-GFCCVEGCSA-N 1 2 351.204 3.418 20 5 FGBDLO COc1ccc(CSCC(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000425588536 500154602 /nfs/dbraw/zinc/15/46/02/500154602.db2.gz QMLGKIQCEQPNRJ-UHFFFAOYSA-N 1 2 361.423 3.487 20 5 FGBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000428067612 500464436 /nfs/dbraw/zinc/46/44/36/500464436.db2.gz BECPBYNDQZAAMD-KRWDZBQOSA-N 1 2 363.461 3.229 20 5 FGBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000428067612 500464439 /nfs/dbraw/zinc/46/44/39/500464439.db2.gz BECPBYNDQZAAMD-KRWDZBQOSA-N 1 2 363.461 3.229 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1Cc2ccccc2C1 ZINC000447813033 500668512 /nfs/dbraw/zinc/66/85/12/500668512.db2.gz PLTZOTWIGTYPHX-UHFFFAOYSA-N 1 2 367.449 3.254 20 5 FGBDLO CCOC(=O)c1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000443884609 500773158 /nfs/dbraw/zinc/77/31/58/500773158.db2.gz YBROCYGKYBNZGC-ZDUSSCGKSA-N 1 2 358.398 3.266 20 5 FGBDLO Cc1cc(C)cc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000444697356 500881825 /nfs/dbraw/zinc/88/18/25/500881825.db2.gz JVQWSFHOMFPBNO-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO Cc1cc(C)cc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000444697356 500881827 /nfs/dbraw/zinc/88/18/27/500881827.db2.gz JVQWSFHOMFPBNO-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435823900 501034176 /nfs/dbraw/zinc/03/41/76/501034176.db2.gz BMYSISCAHOEFEG-UHFFFAOYSA-N 1 2 368.396 3.259 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000441074905 501084356 /nfs/dbraw/zinc/08/43/56/501084356.db2.gz ZJISSKCXPXKUSC-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000441074905 501084358 /nfs/dbraw/zinc/08/43/58/501084358.db2.gz ZJISSKCXPXKUSC-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000436407809 501121756 /nfs/dbraw/zinc/12/17/56/501121756.db2.gz LBNUVFAYWNMMRZ-JTQLQIEISA-N 1 2 353.304 3.094 20 5 FGBDLO CCC[C@@H](C)c1cc(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH][nH]1 ZINC000449939808 501131917 /nfs/dbraw/zinc/13/19/17/501131917.db2.gz KFTCHUSRSYFJFG-GFCCVEGCSA-N 1 2 368.397 3.081 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598942840 506237192 /nfs/dbraw/zinc/23/71/92/506237192.db2.gz PEMFRTHLQZSUJG-YJYMSZOUSA-N 1 2 369.421 3.357 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000446831602 501169812 /nfs/dbraw/zinc/16/98/12/501169812.db2.gz GTNMHFWVMQSSTB-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000446831602 501169815 /nfs/dbraw/zinc/16/98/15/501169815.db2.gz GTNMHFWVMQSSTB-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000596069630 506240106 /nfs/dbraw/zinc/24/01/06/506240106.db2.gz HFRODFCXZUUYCK-INIZCTEOSA-N 1 2 374.407 3.298 20 5 FGBDLO Cc1cc(NC[C@H]2CCc3cccnc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598946475 506240960 /nfs/dbraw/zinc/24/09/60/506240960.db2.gz SHHHRLXDPRXAJF-MRXNPFEDSA-N 1 2 361.405 3.319 20 5 FGBDLO COC(=O)Cc1ccc(NCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])c1 ZINC000450226242 501214136 /nfs/dbraw/zinc/21/41/36/501214136.db2.gz KIXQAPWWLCJANP-UHFFFAOYSA-N 1 2 368.393 3.081 20 5 FGBDLO CCc1cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450825888 501214412 /nfs/dbraw/zinc/21/44/12/501214412.db2.gz FTRXPRPXNYBKQY-MLGOLLRUSA-N 1 2 364.409 3.351 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451024284 501239997 /nfs/dbraw/zinc/23/99/97/501239997.db2.gz NVORYGVSQMYLOD-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451024284 501239998 /nfs/dbraw/zinc/23/99/98/501239998.db2.gz NVORYGVSQMYLOD-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1c(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453264304 501302918 /nfs/dbraw/zinc/30/29/18/501302918.db2.gz VANKGRHJKDJHNB-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1c(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453264304 501302921 /nfs/dbraw/zinc/30/29/21/501302921.db2.gz VANKGRHJKDJHNB-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548859 501319988 /nfs/dbraw/zinc/31/99/88/501319988.db2.gz ORJFVDPNMJJYDG-UKRRQHHQSA-N 1 2 360.414 3.455 20 5 FGBDLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548859 501319990 /nfs/dbraw/zinc/31/99/90/501319990.db2.gz ORJFVDPNMJJYDG-UKRRQHHQSA-N 1 2 360.414 3.455 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000451797534 501373411 /nfs/dbraw/zinc/37/34/11/501373411.db2.gz KDIPIRWTNGVGFS-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000451797534 501373412 /nfs/dbraw/zinc/37/34/12/501373412.db2.gz KDIPIRWTNGVGFS-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000451966798 501410347 /nfs/dbraw/zinc/41/03/47/501410347.db2.gz GCLLRCRERSEVAP-MRXNPFEDSA-N 1 2 361.348 3.309 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000451966798 501410348 /nfs/dbraw/zinc/41/03/48/501410348.db2.gz GCLLRCRERSEVAP-MRXNPFEDSA-N 1 2 361.348 3.309 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000454321821 501513163 /nfs/dbraw/zinc/51/31/63/501513163.db2.gz MZWQKBVKJIJIPV-AWEZNQCLSA-N 1 2 371.441 3.396 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2[nH+]ccn21 ZINC000456398634 501517818 /nfs/dbraw/zinc/51/78/18/501517818.db2.gz CLQVXMGLEGFGRZ-UFBFGSQYSA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)c1 ZINC000602677680 506259012 /nfs/dbraw/zinc/25/90/12/506259012.db2.gz RGGLKWKSCIORCY-SNVBAGLBSA-N 1 2 371.260 3.371 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)c1 ZINC000602677680 506259018 /nfs/dbraw/zinc/25/90/18/506259018.db2.gz RGGLKWKSCIORCY-SNVBAGLBSA-N 1 2 371.260 3.371 20 5 FGBDLO Cc1cc(C)c(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH+]1 ZINC000459087899 501591865 /nfs/dbraw/zinc/59/18/65/501591865.db2.gz XGIVKHUFFMDKRA-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000456819744 501605142 /nfs/dbraw/zinc/60/51/42/501605142.db2.gz GFIKZHDMHQNSFA-GOSISDBHSA-N 1 2 372.450 3.140 20 5 FGBDLO CC1(CC(F)(F)F)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457139147 501657260 /nfs/dbraw/zinc/65/72/60/501657260.db2.gz IPHFAMZMRURKOU-UHFFFAOYSA-N 1 2 368.315 3.195 20 5 FGBDLO O=C(NC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1)C1CC1 ZINC000459610429 501686363 /nfs/dbraw/zinc/68/63/63/501686363.db2.gz JGERGQZNPXRSIT-UHFFFAOYSA-N 1 2 357.435 3.034 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000459735206 501706429 /nfs/dbraw/zinc/70/64/29/501706429.db2.gz AAGJRXTWHAXLAC-GFCCVEGCSA-N 1 2 356.382 3.448 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000463480740 501736669 /nfs/dbraw/zinc/73/66/69/501736669.db2.gz XIQJUVKXKDNRHK-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949629 501865877 /nfs/dbraw/zinc/86/58/77/501865877.db2.gz XDQQQGCLRHDXHM-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949629 501865882 /nfs/dbraw/zinc/86/58/82/501865882.db2.gz XDQQQGCLRHDXHM-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1-n1cc[nH+]c1 ZINC000485752418 501924944 /nfs/dbraw/zinc/92/49/44/501924944.db2.gz NNFYNLGYXGASIA-UHFFFAOYSA-N 1 2 358.304 3.240 20 5 FGBDLO Cc1sc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000464274232 501940329 /nfs/dbraw/zinc/94/03/29/501940329.db2.gz GFXPFMLJRPKHDW-UHFFFAOYSA-N 1 2 370.434 3.482 20 5 FGBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Br)c1 ZINC000475539468 502207387 /nfs/dbraw/zinc/20/73/87/502207387.db2.gz VQKDRRBMNZZFCS-UHFFFAOYSA-N 1 2 353.220 3.113 20 5 FGBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Br)c1 ZINC000475539468 502207393 /nfs/dbraw/zinc/20/73/93/502207393.db2.gz VQKDRRBMNZZFCS-UHFFFAOYSA-N 1 2 353.220 3.113 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000475638962 502238922 /nfs/dbraw/zinc/23/89/22/502238922.db2.gz ONFYNNZJTQUWEO-HNNXBMFYSA-N 1 2 356.382 3.292 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000483226725 502319119 /nfs/dbraw/zinc/31/91/19/502319119.db2.gz KLECRNZYXJUZBT-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2[nH+]1 ZINC000479641527 502328211 /nfs/dbraw/zinc/32/82/11/502328211.db2.gz RPUSIMYBQXHZAV-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO COCc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000472358750 502329356 /nfs/dbraw/zinc/32/93/56/502329356.db2.gz CNNJPBLQQVDDOA-UHFFFAOYSA-N 1 2 371.437 3.186 20 5 FGBDLO COc1c(F)cc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000472514922 502374753 /nfs/dbraw/zinc/37/47/53/502374753.db2.gz BMGTWDJWOZTGTM-UHFFFAOYSA-N 1 2 374.303 3.320 20 5 FGBDLO CCC(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479919277 502420311 /nfs/dbraw/zinc/42/03/11/502420311.db2.gz ZGBHHZFARXQGDP-OKILXGFUSA-N 1 2 363.458 3.487 20 5 FGBDLO CCC(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479919277 502420313 /nfs/dbraw/zinc/42/03/13/502420313.db2.gz ZGBHHZFARXQGDP-OKILXGFUSA-N 1 2 363.458 3.487 20 5 FGBDLO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000487433249 502442815 /nfs/dbraw/zinc/44/28/15/502442815.db2.gz QYKNJIVOKHAYCJ-DYVFJYSZSA-N 1 2 357.410 3.030 20 5 FGBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491350 502461299 /nfs/dbraw/zinc/46/12/99/502461299.db2.gz OAVCOZKITJZCHE-UHFFFAOYSA-N 1 2 364.405 3.349 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000599081335 506315319 /nfs/dbraw/zinc/31/53/19/506315319.db2.gz LWNFWRSMVIDOJS-AAEUAGOBSA-N 1 2 355.316 3.140 20 5 FGBDLO Cn1nccc1[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599083982 506316209 /nfs/dbraw/zinc/31/62/09/506316209.db2.gz NXHUIMOJZZFRCN-CXAGYDPISA-N 1 2 353.382 3.209 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000462746805 502555446 /nfs/dbraw/zinc/55/54/46/502555446.db2.gz WAOOTSFWOATEMV-QGZVFWFLSA-N 1 2 371.437 3.101 20 5 FGBDLO COc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc([N+](=O)[O-])c1C ZINC000480591460 502613981 /nfs/dbraw/zinc/61/39/81/502613981.db2.gz TYDLVELEWAUBEB-UHFFFAOYSA-N 1 2 366.377 3.232 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000462931186 502630833 /nfs/dbraw/zinc/63/08/33/502630833.db2.gz YGQXOUUBEAGBMX-OAHLLOKOSA-N 1 2 356.426 3.293 20 5 FGBDLO Cc1c(F)cccc1NC(=O)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470037038 502637298 /nfs/dbraw/zinc/63/72/98/502637298.db2.gz XIJDPKACAFXGQG-UHFFFAOYSA-N 1 2 373.384 3.134 20 5 FGBDLO CN(C)c1cnn(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000596243157 506327147 /nfs/dbraw/zinc/32/71/47/506327147.db2.gz BAVHIUXYJOYNNL-UHFFFAOYSA-N 1 2 366.425 3.247 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484554750 502668532 /nfs/dbraw/zinc/66/85/32/502668532.db2.gz QIMDTNKKXYJAML-FQEVSTJZSA-N 1 2 372.421 3.144 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484554750 502668536 /nfs/dbraw/zinc/66/85/36/502668536.db2.gz QIMDTNKKXYJAML-FQEVSTJZSA-N 1 2 372.421 3.144 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470148439 502679257 /nfs/dbraw/zinc/67/92/57/502679257.db2.gz VHWJPCIHIOEREH-UHFFFAOYSA-N 1 2 373.388 3.441 20 5 FGBDLO Cn1cc(C[NH2+]C2(c3ccccc3Br)CCC2)c([N+](=O)[O-])n1 ZINC000602864268 506331029 /nfs/dbraw/zinc/33/10/29/506331029.db2.gz NSZNCPANALFMLL-UHFFFAOYSA-N 1 2 365.231 3.260 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000509127647 502827933 /nfs/dbraw/zinc/82/79/33/502827933.db2.gz UQWXMGGKVJMROE-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000602883105 506336949 /nfs/dbraw/zinc/33/69/49/506336949.db2.gz WKIQEPSOZMEYFP-GFCCVEGCSA-N 1 2 368.340 3.265 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000602883105 506336954 /nfs/dbraw/zinc/33/69/54/506336954.db2.gz WKIQEPSOZMEYFP-GFCCVEGCSA-N 1 2 368.340 3.265 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513232749 502885604 /nfs/dbraw/zinc/88/56/04/502885604.db2.gz RICYTHUBTJTOAL-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513232749 502885608 /nfs/dbraw/zinc/88/56/08/502885608.db2.gz RICYTHUBTJTOAL-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898857 502888676 /nfs/dbraw/zinc/88/86/76/502888676.db2.gz MZBPCMJWGMPZMV-CSPWOOARSA-N 1 2 362.361 3.069 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898857 502888679 /nfs/dbraw/zinc/88/86/79/502888679.db2.gz MZBPCMJWGMPZMV-CSPWOOARSA-N 1 2 362.361 3.069 20 5 FGBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000513252604 502889378 /nfs/dbraw/zinc/88/93/78/502889378.db2.gz MFOVAOVZCDMEIX-QMMMGPOBSA-N 1 2 370.743 3.211 20 5 FGBDLO Cc1cc(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000505596850 502945478 /nfs/dbraw/zinc/94/54/78/502945478.db2.gz NJIZTWMEYVBAEQ-UHFFFAOYSA-N 1 2 373.432 3.278 20 5 FGBDLO COCC[N@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489472820 502967034 /nfs/dbraw/zinc/96/70/34/502967034.db2.gz CNXAZJYNNCQTRN-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO COCC[N@@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489472820 502967036 /nfs/dbraw/zinc/96/70/36/502967036.db2.gz CNXAZJYNNCQTRN-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000506097924 503047301 /nfs/dbraw/zinc/04/73/01/503047301.db2.gz BXNYCZRXUVEXMW-MRXNPFEDSA-N 1 2 356.378 3.409 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000506097924 503047305 /nfs/dbraw/zinc/04/73/05/503047305.db2.gz BXNYCZRXUVEXMW-MRXNPFEDSA-N 1 2 356.378 3.409 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000510366155 503099953 /nfs/dbraw/zinc/09/99/53/503099953.db2.gz DUMXVSCNIFUXQH-QGZVFWFLSA-N 1 2 369.425 3.154 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000490130419 503114244 /nfs/dbraw/zinc/11/42/44/503114244.db2.gz LGGAJRCNGOSQKQ-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000514626712 503152375 /nfs/dbraw/zinc/15/23/75/503152375.db2.gz CANWQMMZROSMSS-UHFFFAOYSA-N 1 2 369.878 3.157 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502957348 503315011 /nfs/dbraw/zinc/31/50/11/503315011.db2.gz PWYRAFCFKCUHHR-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502957348 503315017 /nfs/dbraw/zinc/31/50/17/503315017.db2.gz PWYRAFCFKCUHHR-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836451 503332377 /nfs/dbraw/zinc/33/23/77/503332377.db2.gz CHXBXBTXPLWSTI-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836451 503332380 /nfs/dbraw/zinc/33/23/80/503332380.db2.gz CHXBXBTXPLWSTI-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)NC(=O)CO2 ZINC000509008745 503618739 /nfs/dbraw/zinc/61/87/39/503618739.db2.gz QBKVKCUITJSDHM-SECBINFHSA-N 1 2 363.320 3.055 20 5 FGBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000504841802 503623689 /nfs/dbraw/zinc/62/36/89/503623689.db2.gz GKVQXIKXLHACOD-UHFFFAOYSA-N 1 2 373.756 3.271 20 5 FGBDLO O=c1ccccn1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000500524893 503641900 /nfs/dbraw/zinc/64/19/00/503641900.db2.gz HKGOPAIMYBEKLT-IBGZPJMESA-N 1 2 367.380 3.427 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000540328562 503738579 /nfs/dbraw/zinc/73/85/79/503738579.db2.gz XVHFDWDKPFXFKJ-JTQLQIEISA-N 1 2 365.336 3.171 20 5 FGBDLO CCCOc1ccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000543479944 503789389 /nfs/dbraw/zinc/78/93/89/503789389.db2.gz HLAYNYXCDXEDCP-UHFFFAOYSA-N 1 2 357.410 3.216 20 5 FGBDLO CCCOc1ccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000543479944 503789392 /nfs/dbraw/zinc/78/93/92/503789392.db2.gz HLAYNYXCDXEDCP-UHFFFAOYSA-N 1 2 357.410 3.216 20 5 FGBDLO COc1cc(CN2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])cc1F ZINC000546619999 503810004 /nfs/dbraw/zinc/81/00/04/503810004.db2.gz BSVZXWSSHBBIIJ-UHFFFAOYSA-N 1 2 365.430 3.122 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC000533803273 503955574 /nfs/dbraw/zinc/95/55/74/503955574.db2.gz SIUOTEYWLMVHRG-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC000533803273 503955582 /nfs/dbraw/zinc/95/55/82/503955582.db2.gz SIUOTEYWLMVHRG-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530428707 503962405 /nfs/dbraw/zinc/96/24/05/503962405.db2.gz RXTIZGMKEVSRJR-PHIMTYICSA-N 1 2 374.426 3.056 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533840539 503968016 /nfs/dbraw/zinc/96/80/16/503968016.db2.gz FFCJDFPZMQNGEV-UHFFFAOYSA-N 1 2 363.377 3.101 20 5 FGBDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000544029581 503979124 /nfs/dbraw/zinc/97/91/24/503979124.db2.gz DTFMTLGLFXUXMY-UHFFFAOYSA-N 1 2 369.469 3.447 20 5 FGBDLO COc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000541100838 504007001 /nfs/dbraw/zinc/00/70/01/504007001.db2.gz SWVPYEKSQHPHOF-UHFFFAOYSA-N 1 2 367.365 3.111 20 5 FGBDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000544131279 504019811 /nfs/dbraw/zinc/01/98/11/504019811.db2.gz FIMJWPFOHSDMNU-UHFFFAOYSA-N 1 2 374.462 3.162 20 5 FGBDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000544131279 504019814 /nfs/dbraw/zinc/01/98/14/504019814.db2.gz FIMJWPFOHSDMNU-UHFFFAOYSA-N 1 2 374.462 3.162 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C)nn(C)c1C ZINC000544416768 504125205 /nfs/dbraw/zinc/12/52/05/504125205.db2.gz HSDMGJUYRZELPX-OAHLLOKOSA-N 1 2 370.413 3.236 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)c1 ZINC000541588288 504188791 /nfs/dbraw/zinc/18/87/91/504188791.db2.gz DBGNHSYJNXEMLB-KRWDZBQOSA-N 1 2 351.366 3.281 20 5 FGBDLO Cc1ccc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000544718483 504232593 /nfs/dbraw/zinc/23/25/93/504232593.db2.gz GGNFNSXLJRVSMV-UHFFFAOYSA-N 1 2 365.393 3.149 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000519555240 504251631 /nfs/dbraw/zinc/25/16/31/504251631.db2.gz YJIXAXVGSKERGE-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000519555240 504251635 /nfs/dbraw/zinc/25/16/35/504251635.db2.gz YJIXAXVGSKERGE-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000541998861 504329716 /nfs/dbraw/zinc/32/97/16/504329716.db2.gz GSEIVQJQOMBESR-ZDUSSCGKSA-N 1 2 352.740 3.383 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000539195918 504496551 /nfs/dbraw/zinc/49/65/51/504496551.db2.gz HUWRMSHSCRFINX-AWEZNQCLSA-N 1 2 371.441 3.396 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000520484684 504510207 /nfs/dbraw/zinc/51/02/07/504510207.db2.gz CVECPQPKFAHSBL-OAHLLOKOSA-N 1 2 364.405 3.260 20 5 FGBDLO COCC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000542532792 504530908 /nfs/dbraw/zinc/53/09/08/504530908.db2.gz QDZBCWQEVLZDAG-CQSZACIVSA-N 1 2 358.354 3.105 20 5 FGBDLO O=[N+]([O-])c1ccc(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)c(Cl)c1 ZINC000545605623 504539479 /nfs/dbraw/zinc/53/94/79/504539479.db2.gz PYTGHWRXMRAASE-UHFFFAOYSA-N 1 2 369.768 3.461 20 5 FGBDLO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000542616033 504553384 /nfs/dbraw/zinc/55/33/84/504553384.db2.gz OTQUYPNUFIYOCR-AWEZNQCLSA-N 1 2 368.393 3.298 20 5 FGBDLO Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000536574830 504764157 /nfs/dbraw/zinc/76/41/57/504764157.db2.gz QMGLPGGODYOVMC-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO CC(=O)Nc1ccc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552070951 505389501 /nfs/dbraw/zinc/38/95/01/505389501.db2.gz JZGVZUSXQLTHNC-GOSISDBHSA-N 1 2 365.393 3.488 20 5 FGBDLO CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000555303794 505403482 /nfs/dbraw/zinc/40/34/82/505403482.db2.gz WSKQUEGWLHHLOY-LBPRGKRZSA-N 1 2 356.304 3.464 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000558729273 505476105 /nfs/dbraw/zinc/47/61/05/505476105.db2.gz LLJHMVOFZGFYPL-UHFFFAOYSA-N 1 2 366.421 3.344 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1NC1CCN(c3cccc[nH+]3)CC1)CCCC2 ZINC000564894027 505551955 /nfs/dbraw/zinc/55/19/55/505551955.db2.gz YPQAMLPSVOWJLK-UHFFFAOYSA-N 1 2 353.426 3.345 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000582930307 506495192 /nfs/dbraw/zinc/49/51/92/506495192.db2.gz CUAVDJHNXXKDQK-CQSZACIVSA-N 1 2 363.439 3.150 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000612345091 506537862 /nfs/dbraw/zinc/53/78/62/506537862.db2.gz ADKOQNKFMPRYKY-UHFFFAOYSA-N 1 2 354.288 3.327 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000603743696 506608780 /nfs/dbraw/zinc/60/87/80/506608780.db2.gz FTIDBOKIBOGNDU-QPJJXVBHSA-N 1 2 357.435 3.128 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000603837805 506628797 /nfs/dbraw/zinc/62/87/97/506628797.db2.gz HFJFAYFVUVOVGN-UHFFFAOYSA-N 1 2 361.829 3.449 20 5 FGBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000603854226 506635412 /nfs/dbraw/zinc/63/54/12/506635412.db2.gz LJSNVXFCJFWQFC-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@H](C3CCCCC3)C1)OCCO2 ZINC000612596484 506643739 /nfs/dbraw/zinc/64/37/39/506643739.db2.gz ZBMTXRSCDTZIAC-IBGZPJMESA-N 1 2 362.426 3.147 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@H](C3CCCCC3)C1)OCCO2 ZINC000612596484 506643743 /nfs/dbraw/zinc/64/37/43/506643743.db2.gz ZBMTXRSCDTZIAC-IBGZPJMESA-N 1 2 362.426 3.147 20 5 FGBDLO Cc1cc(N[C@H](C2CC2)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593490281 506649136 /nfs/dbraw/zinc/64/91/36/506649136.db2.gz AEEIHLXFPHVWPP-LJQANCHMSA-N 1 2 368.437 3.399 20 5 FGBDLO Cc1ccn2cc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000604199462 506749115 /nfs/dbraw/zinc/74/91/15/506749115.db2.gz SNVALBGJNNSYHO-CYBMUJFWSA-N 1 2 370.434 3.348 20 5 FGBDLO Cc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000583567944 506853815 /nfs/dbraw/zinc/85/38/15/506853815.db2.gz REKXAZDIQGJOKC-VIFPVBQESA-N 1 2 367.203 3.452 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609680267 506972185 /nfs/dbraw/zinc/97/21/85/506972185.db2.gz VYGHVUWBMDLYGW-UHFFFAOYSA-N 1 2 365.393 3.122 20 5 FGBDLO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000609677952 506972453 /nfs/dbraw/zinc/97/24/53/506972453.db2.gz PBLMAHXKVQDYAY-OAHLLOKOSA-N 1 2 364.352 3.297 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCc1cn2ccccc2[nH+]1 ZINC000609850031 507023280 /nfs/dbraw/zinc/02/32/80/507023280.db2.gz SZJUNOIXTQBEBA-UHFFFAOYSA-N 1 2 372.356 3.213 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cn2ccc(C)cc2[nH+]1 ZINC000609849814 507023453 /nfs/dbraw/zinc/02/34/53/507023453.db2.gz JWQKRFZDMVXFHV-UHFFFAOYSA-N 1 2 372.356 3.479 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)s1 ZINC000609995132 507063954 /nfs/dbraw/zinc/06/39/54/507063954.db2.gz FZIDKNBSBHKGEG-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO CC(C)c1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000610009953 507070538 /nfs/dbraw/zinc/07/05/38/507070538.db2.gz JSNXOTGYSVYNBA-UHFFFAOYSA-N 1 2 353.220 3.494 20 5 FGBDLO O=C(C1CCCC1)N1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591151087 507133664 /nfs/dbraw/zinc/13/36/64/507133664.db2.gz JBDVYXOMXIOGIO-OAHLLOKOSA-N 1 2 354.410 3.346 20 5 FGBDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594709182 507247267 /nfs/dbraw/zinc/24/72/67/507247267.db2.gz DKQGJFXJVMKECY-RKDXNWHRSA-N 1 2 354.819 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(F)cnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000601138736 507274693 /nfs/dbraw/zinc/27/46/93/507274693.db2.gz XJZORATZGDKZGJ-UHFFFAOYSA-N 1 2 367.384 3.131 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000601149515 507277576 /nfs/dbraw/zinc/27/75/76/507277576.db2.gz NHXSYBPHGQKQJL-ZDUSSCGKSA-N 1 2 361.345 3.067 20 5 FGBDLO Cc1noc(C[N@H+](C)CCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595288948 507449630 /nfs/dbraw/zinc/44/96/30/507449630.db2.gz BYCPKJWLJMKSGA-UHFFFAOYSA-N 1 2 370.203 3.165 20 5 FGBDLO Cc1noc(C[N@@H+](C)CCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595288948 507449638 /nfs/dbraw/zinc/44/96/38/507449638.db2.gz BYCPKJWLJMKSGA-UHFFFAOYSA-N 1 2 370.203 3.165 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccncc1F)[C@H]1CC[C@H](O)CC1 ZINC000592132875 507498821 /nfs/dbraw/zinc/49/88/21/507498821.db2.gz OWMVBGJSDREOAS-QAQDUYKDSA-N 1 2 359.401 3.435 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccncc1F)[C@H]1CC[C@H](O)CC1 ZINC000592132875 507498826 /nfs/dbraw/zinc/49/88/26/507498826.db2.gz OWMVBGJSDREOAS-QAQDUYKDSA-N 1 2 359.401 3.435 20 5 FGBDLO Cc1noc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595610110 507588336 /nfs/dbraw/zinc/58/83/36/507588336.db2.gz BUFYIPQAYCHLSU-OAHLLOKOSA-N 1 2 373.409 3.332 20 5 FGBDLO Cc1noc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595610110 507588344 /nfs/dbraw/zinc/58/83/44/507588344.db2.gz BUFYIPQAYCHLSU-OAHLLOKOSA-N 1 2 373.409 3.332 20 5 FGBDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262723 507590238 /nfs/dbraw/zinc/59/02/38/507590238.db2.gz HLHCMFPLYSVSEJ-ZDUSSCGKSA-N 1 2 356.378 3.322 20 5 FGBDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262723 507590244 /nfs/dbraw/zinc/59/02/44/507590244.db2.gz HLHCMFPLYSVSEJ-ZDUSSCGKSA-N 1 2 356.378 3.322 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135166 507604556 /nfs/dbraw/zinc/60/45/56/507604556.db2.gz YGCWFSAUJGTEIC-AUUYWEPGSA-N 1 2 369.421 3.055 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135166 507604559 /nfs/dbraw/zinc/60/45/59/507604559.db2.gz YGCWFSAUJGTEIC-AUUYWEPGSA-N 1 2 369.421 3.055 20 5 FGBDLO O=C1[C@H]([NH+]2CCC(CC(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000585755795 507617947 /nfs/dbraw/zinc/61/79/47/507617947.db2.gz NTGIAGTVYBIAPG-OAHLLOKOSA-N 1 2 371.359 3.365 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000595677316 507623268 /nfs/dbraw/zinc/62/32/68/507623268.db2.gz YWEYSODFZOGVFL-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000595677316 507623270 /nfs/dbraw/zinc/62/32/70/507623270.db2.gz YWEYSODFZOGVFL-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703494 507637691 /nfs/dbraw/zinc/63/76/91/507637691.db2.gz MBCPGUNYQRASQT-ZWKOTPCHSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703494 507637694 /nfs/dbraw/zinc/63/76/94/507637694.db2.gz MBCPGUNYQRASQT-ZWKOTPCHSA-N 1 2 355.369 3.286 20 5 FGBDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762313 507663943 /nfs/dbraw/zinc/66/39/43/507663943.db2.gz PMFWPEVLQRIQLD-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586762313 507663953 /nfs/dbraw/zinc/66/39/53/507663953.db2.gz PMFWPEVLQRIQLD-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546054 507744830 /nfs/dbraw/zinc/74/48/30/507744830.db2.gz OEBSUQLBZYRASZ-ZDUSSCGKSA-N 1 2 355.350 3.358 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000018232269 695636826 /nfs/dbraw/zinc/63/68/26/695636826.db2.gz KUYBEDCOFALPAS-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000018232269 695636829 /nfs/dbraw/zinc/63/68/29/695636829.db2.gz KUYBEDCOFALPAS-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO CN(C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000076017288 700221920 /nfs/dbraw/zinc/22/19/20/700221920.db2.gz PZZSUYWQVQQIPS-ZDUSSCGKSA-N 1 2 355.460 3.488 20 5 FGBDLO CN(C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000076017288 700221924 /nfs/dbraw/zinc/22/19/24/700221924.db2.gz PZZSUYWQVQQIPS-ZDUSSCGKSA-N 1 2 355.460 3.488 20 5 FGBDLO Cc1cnc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374221832 713906002 /nfs/dbraw/zinc/90/60/02/713906002.db2.gz BGSZNEVAIUUHEZ-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374221832 713906004 /nfs/dbraw/zinc/90/60/04/713906004.db2.gz BGSZNEVAIUUHEZ-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000374363686 713916783 /nfs/dbraw/zinc/91/67/83/713916783.db2.gz CXAJQJUNNZYMFY-NSHDSACASA-N 1 2 356.407 3.173 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000746662716 722612861 /nfs/dbraw/zinc/61/28/61/722612861.db2.gz GVEDNPKQSUZYRQ-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000746662716 722612863 /nfs/dbraw/zinc/61/28/63/722612863.db2.gz GVEDNPKQSUZYRQ-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000751359310 722802905 /nfs/dbraw/zinc/80/29/05/722802905.db2.gz UHFGBMSFFUNWSE-UHFFFAOYSA-N 1 2 352.391 3.285 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000756998268 722973131 /nfs/dbraw/zinc/97/31/31/722973131.db2.gz ZJHMTFRAAOGIMU-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662294 723539239 /nfs/dbraw/zinc/53/92/39/723539239.db2.gz QXGNOEBKONCLSU-GXFFZTMASA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662294 723539242 /nfs/dbraw/zinc/53/92/42/723539242.db2.gz QXGNOEBKONCLSU-GXFFZTMASA-N 1 2 355.320 3.084 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCOCC4(CCCC4)C3)c2c(Cl)c1 ZINC000774657816 723916403 /nfs/dbraw/zinc/91/64/03/723916403.db2.gz LUAOQIJLKQUSOW-UHFFFAOYSA-N 1 2 364.833 3.448 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCOCC4(CCCC4)C3)c2c(Cl)c1 ZINC000774657816 723916405 /nfs/dbraw/zinc/91/64/05/723916405.db2.gz LUAOQIJLKQUSOW-UHFFFAOYSA-N 1 2 364.833 3.448 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C/C(Cl)=C\Cl)CC3)nc2c1 ZINC000775672789 724021053 /nfs/dbraw/zinc/02/10/53/724021053.db2.gz JHWYYBXUYHVSOQ-PKNBQFBNSA-N 1 2 370.240 3.302 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C/C(Cl)=C\Cl)CC3)nc2c1 ZINC000775672789 724021064 /nfs/dbraw/zinc/02/10/64/724021064.db2.gz JHWYYBXUYHVSOQ-PKNBQFBNSA-N 1 2 370.240 3.302 20 5 FGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000799943589 724116406 /nfs/dbraw/zinc/11/64/06/724116406.db2.gz KZIHVBFJHZMYSQ-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1Cl ZINC000784675954 724871713 /nfs/dbraw/zinc/87/17/13/724871713.db2.gz PENVSBSERVYFMJ-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1Cl ZINC000784675954 724871716 /nfs/dbraw/zinc/87/17/16/724871716.db2.gz PENVSBSERVYFMJ-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805762092 725092513 /nfs/dbraw/zinc/09/25/13/725092513.db2.gz NGXCEEXGFZAKKI-ZDUSSCGKSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805762092 725092516 /nfs/dbraw/zinc/09/25/16/725092516.db2.gz NGXCEEXGFZAKKI-ZDUSSCGKSA-N 1 2 353.394 3.177 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780883 726810688 /nfs/dbraw/zinc/81/06/88/726810688.db2.gz WCIGKAZUONDYOF-LLVKDONJSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780883 726810689 /nfs/dbraw/zinc/81/06/89/726810689.db2.gz WCIGKAZUONDYOF-LLVKDONJSA-N 1 2 351.204 3.001 20 5 FGBDLO CC[NH+](CC)[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112973 726840485 /nfs/dbraw/zinc/84/04/85/726840485.db2.gz MVNMRJGQZZTDBZ-BXUZGUMPSA-N 1 2 362.348 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000821305502 729074267 /nfs/dbraw/zinc/07/42/67/729074267.db2.gz FQZLEHATBXMHDJ-GOEBONIOSA-N 1 2 364.423 3.028 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826703561 729412936 /nfs/dbraw/zinc/41/29/36/729412936.db2.gz FZICXKMYINJTLM-INIZCTEOSA-N 1 2 359.813 3.473 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826703561 729412938 /nfs/dbraw/zinc/41/29/38/729412938.db2.gz FZICXKMYINJTLM-INIZCTEOSA-N 1 2 359.813 3.473 20 5 FGBDLO CSc1cccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000826703160 729412960 /nfs/dbraw/zinc/41/29/60/729412960.db2.gz BKXIXCUSFQVQML-HNNXBMFYSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1cccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000826703160 729412964 /nfs/dbraw/zinc/41/29/64/729412964.db2.gz BKXIXCUSFQVQML-HNNXBMFYSA-N 1 2 357.435 3.233 20 5 FGBDLO Cc1ccc(C[N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848477652 731169195 /nfs/dbraw/zinc/16/91/95/731169195.db2.gz ZKITTXYZFLBBSY-KRWDZBQOSA-N 1 2 359.451 3.370 20 5 FGBDLO Cc1ccc(C[N@@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848477652 731169196 /nfs/dbraw/zinc/16/91/96/731169196.db2.gz ZKITTXYZFLBBSY-KRWDZBQOSA-N 1 2 359.451 3.370 20 5 FGBDLO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H](C)C1(F)F ZINC000863272714 732936298 /nfs/dbraw/zinc/93/62/98/732936298.db2.gz CQOOBAZSXQKCEO-VXGBXAGGSA-N 1 2 351.357 3.034 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000880002284 737096425 /nfs/dbraw/zinc/09/64/25/737096425.db2.gz JAGJKGBDSYIEFS-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000880002284 737096428 /nfs/dbraw/zinc/09/64/28/737096428.db2.gz JAGJKGBDSYIEFS-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2nccs2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880317374 737153745 /nfs/dbraw/zinc/15/37/45/737153745.db2.gz NOWILQRNCAIZFI-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2nccs2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880317374 737153749 /nfs/dbraw/zinc/15/37/49/737153749.db2.gz NOWILQRNCAIZFI-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000894591764 742302394 /nfs/dbraw/zinc/30/23/94/742302394.db2.gz QJKKYIATUOWMNB-UHFFFAOYSA-N 1 2 361.833 3.237 20 5 FGBDLO C[NH+](C)Cc1csc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000922492051 758936365 /nfs/dbraw/zinc/93/63/65/758936365.db2.gz ZNYHMIIEAJNLIJ-UHFFFAOYSA-N 1 2 372.397 3.004 20 5 FGBDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000932654573 761209673 /nfs/dbraw/zinc/20/96/73/761209673.db2.gz RAELBWQVUVCLHQ-UHFFFAOYSA-N 1 2 360.332 3.302 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304394 132374378 /nfs/dbraw/zinc/37/43/78/132374378.db2.gz BPJDPVGUIORBKM-UHFFFAOYSA-N 1 2 350.806 3.175 20 5 FGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000028683424 493797150 /nfs/dbraw/zinc/79/71/50/493797150.db2.gz XNFPEXAYHAAZEQ-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000028683424 493797154 /nfs/dbraw/zinc/79/71/54/493797154.db2.gz XNFPEXAYHAAZEQ-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000029086433 493814417 /nfs/dbraw/zinc/81/44/17/493814417.db2.gz BGVHIGADMCAIFX-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000029081493 493814472 /nfs/dbraw/zinc/81/44/72/493814472.db2.gz ZSWFQWKHWGGXNI-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000003540805 493852553 /nfs/dbraw/zinc/85/25/53/493852553.db2.gz YWJZCZKCKANPRI-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000003540805 493852555 /nfs/dbraw/zinc/85/25/55/493852555.db2.gz YWJZCZKCKANPRI-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO CCc1cc(NCCOC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000068770596 493869741 /nfs/dbraw/zinc/86/97/41/493869741.db2.gz VRGGGYNAKQVYHZ-AWEZNQCLSA-N 1 2 372.425 3.079 20 5 FGBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069087069 493919482 /nfs/dbraw/zinc/91/94/82/493919482.db2.gz NWZNTYRLYMNCTI-INIZCTEOSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069087069 493919489 /nfs/dbraw/zinc/91/94/89/493919489.db2.gz NWZNTYRLYMNCTI-INIZCTEOSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1ccccc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032040097 493971836 /nfs/dbraw/zinc/97/18/36/493971836.db2.gz GMWXLKBJVMQZED-ZDUSSCGKSA-N 1 2 366.377 3.280 20 5 FGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc([S@](C)=O)cc1 ZINC000083250084 494014380 /nfs/dbraw/zinc/01/43/80/494014380.db2.gz NQEDEKSXMXONOB-RUZDIDTESA-N 1 2 359.407 3.105 20 5 FGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc([S@](C)=O)cc1 ZINC000083250084 494014381 /nfs/dbraw/zinc/01/43/81/494014381.db2.gz NQEDEKSXMXONOB-RUZDIDTESA-N 1 2 359.407 3.105 20 5 FGBDLO Cc1cc(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)ccc1[N+](=O)[O-] ZINC000568443217 505695127 /nfs/dbraw/zinc/69/51/27/505695127.db2.gz XAWHLZMFTMASLX-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000077382781 494072685 /nfs/dbraw/zinc/07/26/85/494072685.db2.gz XUCVBZGEXDLPFU-UHFFFAOYSA-N 1 2 356.220 3.170 20 5 FGBDLO CC1(C)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000077382781 494072689 /nfs/dbraw/zinc/07/26/89/494072689.db2.gz XUCVBZGEXDLPFU-UHFFFAOYSA-N 1 2 356.220 3.170 20 5 FGBDLO CCCCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000064078328 494104300 /nfs/dbraw/zinc/10/43/00/494104300.db2.gz MFIGFCKEMYZUFI-UHFFFAOYSA-N 1 2 354.370 3.099 20 5 FGBDLO C[C@@H]1CCCN(c2cc(N3CCOc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000574128307 505700001 /nfs/dbraw/zinc/70/00/01/505700001.db2.gz UAVJSKCWNNWYPF-CQSZACIVSA-N 1 2 369.425 3.020 20 5 FGBDLO C[C@@H]1CCCN(c2cc(N3CCOc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000574128307 505700003 /nfs/dbraw/zinc/70/00/03/505700003.db2.gz UAVJSKCWNNWYPF-CQSZACIVSA-N 1 2 369.425 3.020 20 5 FGBDLO CCOC(=O)C1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000054389426 494228854 /nfs/dbraw/zinc/22/88/54/494228854.db2.gz XALFAANXSDBUNO-UHFFFAOYSA-N 1 2 370.409 3.140 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605563 494252276 /nfs/dbraw/zinc/25/22/76/494252276.db2.gz CCLSCJSZIJKIRU-KBPBESRZSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605563 494252279 /nfs/dbraw/zinc/25/22/79/494252279.db2.gz CCLSCJSZIJKIRU-KBPBESRZSA-N 1 2 371.412 3.358 20 5 FGBDLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000078288003 494270748 /nfs/dbraw/zinc/27/07/48/494270748.db2.gz APTYKSJIDURJET-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1ccc2[nH+]c(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])cn2c1 ZINC000054836212 494276449 /nfs/dbraw/zinc/27/64/49/494276449.db2.gz VDAYKOXUBONFSM-UHFFFAOYSA-N 1 2 367.409 3.301 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000043342614 494289192 /nfs/dbraw/zinc/28/91/92/494289192.db2.gz FNZJLPMDGQMGBB-UHFFFAOYSA-N 1 2 364.789 3.191 20 5 FGBDLO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072975740 494296914 /nfs/dbraw/zinc/29/69/14/494296914.db2.gz MWSMHNNGCZJQNI-STQMWFEESA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072975740 494296916 /nfs/dbraw/zinc/29/69/16/494296916.db2.gz MWSMHNNGCZJQNI-STQMWFEESA-N 1 2 369.849 3.324 20 5 FGBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F ZINC000043644217 494308955 /nfs/dbraw/zinc/30/89/55/494308955.db2.gz AEWFWTUVFCEROC-UHFFFAOYSA-N 1 2 367.327 3.345 20 5 FGBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F ZINC000043644217 494308960 /nfs/dbraw/zinc/30/89/60/494308960.db2.gz AEWFWTUVFCEROC-UHFFFAOYSA-N 1 2 367.327 3.345 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000078734646 494351095 /nfs/dbraw/zinc/35/10/95/494351095.db2.gz GMNAEUXEFXMUOT-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO CCOc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000044640312 494372095 /nfs/dbraw/zinc/37/20/95/494372095.db2.gz WAEPZEOECZPUJW-UHFFFAOYSA-N 1 2 366.377 3.109 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000016590920 494395399 /nfs/dbraw/zinc/39/53/99/494395399.db2.gz MGEVFYGFWMZARX-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000016590920 494395402 /nfs/dbraw/zinc/39/54/02/494395402.db2.gz MGEVFYGFWMZARX-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO C[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000046598993 494539958 /nfs/dbraw/zinc/53/99/58/494539958.db2.gz FQONAZICRIZDAZ-INIZCTEOSA-N 1 2 359.451 3.452 20 5 FGBDLO C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000046598993 494539961 /nfs/dbraw/zinc/53/99/61/494539961.db2.gz FQONAZICRIZDAZ-INIZCTEOSA-N 1 2 359.451 3.452 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000125956107 494587714 /nfs/dbraw/zinc/58/77/14/494587714.db2.gz TVDSNAUXTJXCOY-MRXNPFEDSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000125956107 494587724 /nfs/dbraw/zinc/58/77/24/494587724.db2.gz TVDSNAUXTJXCOY-MRXNPFEDSA-N 1 2 361.423 3.058 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074829355 494612998 /nfs/dbraw/zinc/61/29/98/494612998.db2.gz WXSAVUCQBHIMBH-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074829355 494613004 /nfs/dbraw/zinc/61/30/04/494613004.db2.gz WXSAVUCQBHIMBH-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CCOc1ccccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121167474 494628036 /nfs/dbraw/zinc/62/80/36/494628036.db2.gz SHPZIMHIVOKRLW-UHFFFAOYSA-N 1 2 366.377 3.456 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131501009 494639660 /nfs/dbraw/zinc/63/96/60/494639660.db2.gz VLDSHZYSCPJMRB-UHFFFAOYSA-N 1 2 356.363 3.374 20 5 FGBDLO COc1cccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000092511235 494652793 /nfs/dbraw/zinc/65/27/93/494652793.db2.gz LLPLRCAVSXEGJM-IBGZPJMESA-N 1 2 372.421 3.490 20 5 FGBDLO COc1cccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000092511235 494652801 /nfs/dbraw/zinc/65/28/01/494652801.db2.gz LLPLRCAVSXEGJM-IBGZPJMESA-N 1 2 372.421 3.490 20 5 FGBDLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000067821176 494656381 /nfs/dbraw/zinc/65/63/81/494656381.db2.gz OJKZXDGOMMFVSY-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C(C1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092539450 494662964 /nfs/dbraw/zinc/66/29/64/494662964.db2.gz VAHUOWPISLMWEK-UXBLZVDNSA-N 1 2 357.454 3.333 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)on1 ZINC000080540761 494731099 /nfs/dbraw/zinc/73/10/99/494731099.db2.gz AJESJUWPBKYICT-UHFFFAOYSA-N 1 2 350.806 3.175 20 5 FGBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092099060 494789121 /nfs/dbraw/zinc/78/91/21/494789121.db2.gz HFNPJALUOCTQHI-MRXNPFEDSA-N 1 2 373.384 3.237 20 5 FGBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092099060 494789127 /nfs/dbraw/zinc/78/91/27/494789127.db2.gz HFNPJALUOCTQHI-MRXNPFEDSA-N 1 2 373.384 3.237 20 5 FGBDLO Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093608108 494903107 /nfs/dbraw/zinc/90/31/07/494903107.db2.gz KRTMSHSTBHUVKL-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093809940 494924001 /nfs/dbraw/zinc/92/40/01/494924001.db2.gz DRHHUVHFSLQKJV-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093809940 494924005 /nfs/dbraw/zinc/92/40/05/494924005.db2.gz DRHHUVHFSLQKJV-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)oc1C ZINC000110535804 494987186 /nfs/dbraw/zinc/98/71/86/494987186.db2.gz NNVFRMLPOQEQHM-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127761947 494994034 /nfs/dbraw/zinc/99/40/34/494994034.db2.gz NZUCPHJYTQZYLS-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127761947 494994037 /nfs/dbraw/zinc/99/40/37/494994037.db2.gz NZUCPHJYTQZYLS-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122654019 495010727 /nfs/dbraw/zinc/01/07/27/495010727.db2.gz NRIUNWLSBIHWAO-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122654019 495010731 /nfs/dbraw/zinc/01/07/31/495010731.db2.gz NRIUNWLSBIHWAO-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000118848650 495048377 /nfs/dbraw/zinc/04/83/77/495048377.db2.gz WXGWEZLGFMJSFC-UHFFFAOYSA-N 1 2 354.819 3.168 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000128178340 495056126 /nfs/dbraw/zinc/05/61/26/495056126.db2.gz ZSDGPUQJMFCPQB-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000128178340 495056128 /nfs/dbraw/zinc/05/61/28/495056128.db2.gz ZSDGPUQJMFCPQB-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO CC(C)NC(=O)c1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000134172928 495117230 /nfs/dbraw/zinc/11/72/30/495117230.db2.gz RCPJYDFQGZIXMG-KSSFIOAISA-N 1 2 371.441 3.017 20 5 FGBDLO Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000128685092 495135044 /nfs/dbraw/zinc/13/50/44/495135044.db2.gz COVBXYUKTFBSNY-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103467060 495236939 /nfs/dbraw/zinc/23/69/39/495236939.db2.gz BFISTTDYPLFMQY-UHFFFAOYSA-N 1 2 371.412 3.437 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000135233690 495266769 /nfs/dbraw/zinc/26/67/69/495266769.db2.gz NHIVHNANZQTYLK-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000135233690 495266774 /nfs/dbraw/zinc/26/67/74/495266774.db2.gz NHIVHNANZQTYLK-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(Br)cc1O ZINC000113323454 495296883 /nfs/dbraw/zinc/29/68/83/495296883.db2.gz QYUCHWCEGHHZIK-UHFFFAOYSA-N 1 2 367.199 3.361 20 5 FGBDLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330452 495297376 /nfs/dbraw/zinc/29/73/76/495297376.db2.gz QJDOOJIQJBISGZ-RYUDHWBXSA-N 1 2 362.455 3.111 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129907048 495313291 /nfs/dbraw/zinc/31/32/91/495313291.db2.gz DZOOJSGCJMYXIN-UHFFFAOYSA-N 1 2 363.377 3.164 20 5 FGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114338165 495364239 /nfs/dbraw/zinc/36/42/39/495364239.db2.gz SSOCFJQWQYLYHQ-UHFFFAOYSA-N 1 2 368.349 3.049 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136315827 495372058 /nfs/dbraw/zinc/37/20/58/495372058.db2.gz PEGOFIZBGDPOOG-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1c(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000114805570 495428322 /nfs/dbraw/zinc/42/83/22/495428322.db2.gz SEWFDDYODTZYTO-OAHLLOKOSA-N 1 2 369.425 3.209 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139684527 495481980 /nfs/dbraw/zinc/48/19/80/495481980.db2.gz IAALPHJRCZGQNK-ZDUSSCGKSA-N 1 2 358.398 3.351 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139684527 495481984 /nfs/dbraw/zinc/48/19/84/495481984.db2.gz IAALPHJRCZGQNK-ZDUSSCGKSA-N 1 2 358.398 3.351 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000131176076 495501898 /nfs/dbraw/zinc/50/18/98/495501898.db2.gz ABNYYZDFRAIIAU-QGZVFWFLSA-N 1 2 373.409 3.134 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000131176076 495501902 /nfs/dbraw/zinc/50/19/02/495501902.db2.gz ABNYYZDFRAIIAU-QGZVFWFLSA-N 1 2 373.409 3.134 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000106878473 495505378 /nfs/dbraw/zinc/50/53/78/495505378.db2.gz QEUAVHJXQVTTTF-LBPRGKRZSA-N 1 2 362.455 3.324 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000106878473 495505381 /nfs/dbraw/zinc/50/53/81/495505381.db2.gz QEUAVHJXQVTTTF-LBPRGKRZSA-N 1 2 362.455 3.324 20 5 FGBDLO CSc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000121065244 495516229 /nfs/dbraw/zinc/51/62/29/495516229.db2.gz VMZPSOFHQBKXRK-CQSZACIVSA-N 1 2 359.407 3.005 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182512154 495593336 /nfs/dbraw/zinc/59/33/36/495593336.db2.gz KIBDXZXJPYSULE-UHFFFAOYSA-N 1 2 353.787 3.383 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000170954968 495667489 /nfs/dbraw/zinc/66/74/89/495667489.db2.gz ZTXYMJGQZYLVKO-CYBMUJFWSA-N 1 2 355.394 3.161 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000170954968 495667492 /nfs/dbraw/zinc/66/74/92/495667492.db2.gz ZTXYMJGQZYLVKO-CYBMUJFWSA-N 1 2 355.394 3.161 20 5 FGBDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173798865 495697898 /nfs/dbraw/zinc/69/78/98/495697898.db2.gz PZCJCFJZIRNQTA-UHFFFAOYSA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000171033120 495698337 /nfs/dbraw/zinc/69/83/37/495698337.db2.gz MWXLHLFTQLBSTJ-UHFFFAOYSA-N 1 2 357.757 3.390 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154869765 495755973 /nfs/dbraw/zinc/75/59/73/495755973.db2.gz BCVCXTPLOKRDBK-CQSZACIVSA-N 1 2 355.398 3.089 20 5 FGBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000574573326 505805389 /nfs/dbraw/zinc/80/53/89/505805389.db2.gz HQXKVAJBJBLPHA-KBPBESRZSA-N 1 2 352.341 3.055 20 5 FGBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000574573326 505805395 /nfs/dbraw/zinc/80/53/95/505805395.db2.gz HQXKVAJBJBLPHA-KBPBESRZSA-N 1 2 352.341 3.055 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c(C)o1 ZINC000183293004 495919162 /nfs/dbraw/zinc/91/91/62/495919162.db2.gz JUCWAVNGLHEIRX-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO Cc1cc([N+](=O)[O-])cn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)c1=O ZINC000155795477 496071340 /nfs/dbraw/zinc/07/13/40/496071340.db2.gz YQFYKIRPFTVPQV-UHFFFAOYSA-N 1 2 353.165 3.068 20 5 FGBDLO CC(C)Oc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000580725310 505823800 /nfs/dbraw/zinc/82/38/00/505823800.db2.gz RBDJKMWTPHWMGG-UHFFFAOYSA-N 1 2 367.409 3.056 20 5 FGBDLO Cc1csc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCCC2)n1 ZINC000175018206 496210155 /nfs/dbraw/zinc/21/01/55/496210155.db2.gz LVQAVNGGILKDSJ-UHFFFAOYSA-N 1 2 360.439 3.018 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000152868880 496280412 /nfs/dbraw/zinc/28/04/12/496280412.db2.gz GSIOOUGZPNCBSM-AWEZNQCLSA-N 1 2 367.409 3.425 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000152977922 496313949 /nfs/dbraw/zinc/31/39/49/496313949.db2.gz QSENCYIVKGRROY-UHFFFAOYSA-N 1 2 357.395 3.212 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153131722 496362296 /nfs/dbraw/zinc/36/22/96/496362296.db2.gz APFFHKYOMYYRGL-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153131722 496362297 /nfs/dbraw/zinc/36/22/97/496362297.db2.gz APFFHKYOMYYRGL-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153136032 496363993 /nfs/dbraw/zinc/36/39/93/496363993.db2.gz CWUWZGYRSPLBGP-SFHVURJKSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153136032 496363998 /nfs/dbraw/zinc/36/39/98/496363998.db2.gz CWUWZGYRSPLBGP-SFHVURJKSA-N 1 2 369.421 3.379 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153237971 496393132 /nfs/dbraw/zinc/39/31/32/496393132.db2.gz OGRZYYMBPPHTBN-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153237971 496393137 /nfs/dbraw/zinc/39/31/37/496393137.db2.gz OGRZYYMBPPHTBN-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153287642 496409498 /nfs/dbraw/zinc/40/94/98/496409498.db2.gz YFLDOIIOVSCRRD-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153287642 496409503 /nfs/dbraw/zinc/40/95/03/496409503.db2.gz YFLDOIIOVSCRRD-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO O=C1CCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000178431120 496454177 /nfs/dbraw/zinc/45/41/77/496454177.db2.gz CPASPRKTLCMAMJ-UHFFFAOYSA-N 1 2 351.834 3.225 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000181653130 496488868 /nfs/dbraw/zinc/48/88/68/496488868.db2.gz JLENXFQZSQVLQC-MRXNPFEDSA-N 1 2 354.366 3.122 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000163301388 496495434 /nfs/dbraw/zinc/49/54/34/496495434.db2.gz MGQFPZOPYKGOIV-OAHLLOKOSA-N 1 2 369.425 3.397 20 5 FGBDLO COc1cc(C)cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000178588912 496507918 /nfs/dbraw/zinc/50/79/18/496507918.db2.gz YYGUZHMITHMVBU-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184795695 496534815 /nfs/dbraw/zinc/53/48/15/496534815.db2.gz INLPUBIVOBWTER-IUODEOHRSA-N 1 2 361.398 3.055 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000184842438 496554183 /nfs/dbraw/zinc/55/41/83/496554183.db2.gz VBFFUNTZTKXCFZ-LRDDRELGSA-N 1 2 361.398 3.055 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184867855 496564627 /nfs/dbraw/zinc/56/46/27/496564627.db2.gz ZDWFQMWNZWDCNG-MRXNPFEDSA-N 1 2 352.394 3.128 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184873931 496566752 /nfs/dbraw/zinc/56/67/52/496566752.db2.gz IKOZCTXVRULZLR-GFCCVEGCSA-N 1 2 366.377 3.200 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc([N+](=O)[O-])cc3C)c2cc1C ZINC000154011208 496654611 /nfs/dbraw/zinc/65/46/11/496654611.db2.gz WBQBRICXXFWPJH-INIZCTEOSA-N 1 2 355.394 3.310 20 5 FGBDLO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185096436 496658457 /nfs/dbraw/zinc/65/84/57/496658457.db2.gz PBIOCWLQZZRDPG-UHFFFAOYSA-N 1 2 355.394 3.457 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000191347575 496733054 /nfs/dbraw/zinc/73/30/54/496733054.db2.gz DCMOVKMXKJTIFA-AWEZNQCLSA-N 1 2 355.398 3.007 20 5 FGBDLO Cc1nc(C(C)(C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000264278243 496860113 /nfs/dbraw/zinc/86/01/13/496860113.db2.gz GASKAGHCRWEPRG-UHFFFAOYSA-N 1 2 357.370 3.009 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000191906232 496927997 /nfs/dbraw/zinc/92/79/97/496927997.db2.gz CJMKTNMDDQPJMN-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000188946783 496956401 /nfs/dbraw/zinc/95/64/01/496956401.db2.gz YXIPKIWKLYUHAE-UHFFFAOYSA-N 1 2 368.437 3.071 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000192517355 497138090 /nfs/dbraw/zinc/13/80/90/497138090.db2.gz YWZNFAVRUUZYEX-TZMCWYRMSA-N 1 2 368.846 3.189 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000192517355 497138094 /nfs/dbraw/zinc/13/80/94/497138094.db2.gz YWZNFAVRUUZYEX-TZMCWYRMSA-N 1 2 368.846 3.189 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000574948672 505889015 /nfs/dbraw/zinc/88/90/15/505889015.db2.gz MMXDENAHNQCWAX-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000574948672 505889018 /nfs/dbraw/zinc/88/90/18/505889018.db2.gz MMXDENAHNQCWAX-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266055114 497243344 /nfs/dbraw/zinc/24/33/44/497243344.db2.gz ZXNDSVCWCQRXSR-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266055114 497243349 /nfs/dbraw/zinc/24/33/49/497243349.db2.gz ZXNDSVCWCQRXSR-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO COc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000271095120 497262982 /nfs/dbraw/zinc/26/29/82/497262982.db2.gz MLAZATJVUCBNEM-UHFFFAOYSA-N 1 2 362.283 3.138 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412437 497393397 /nfs/dbraw/zinc/39/33/97/497393397.db2.gz AOPHDFOCZQNGDA-BFUOFWGJSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245412437 497393399 /nfs/dbraw/zinc/39/33/99/497393399.db2.gz AOPHDFOCZQNGDA-BFUOFWGJSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000245457110 497417041 /nfs/dbraw/zinc/41/70/41/497417041.db2.gz UDHYRCRJZGPQDO-WBMJQRKESA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000245457110 497417043 /nfs/dbraw/zinc/41/70/43/497417043.db2.gz UDHYRCRJZGPQDO-WBMJQRKESA-N 1 2 367.471 3.004 20 5 FGBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000279389923 497425094 /nfs/dbraw/zinc/42/50/94/497425094.db2.gz VEGSQYNDQQZWFD-INIZCTEOSA-N 1 2 363.461 3.181 20 5 FGBDLO Cc1nn(CCC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c(C)c1[N+](=O)[O-] ZINC000279898341 497581078 /nfs/dbraw/zinc/58/10/78/497581078.db2.gz FKWCHFOPUIULBP-UHFFFAOYSA-N 1 2 368.397 3.135 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272355296 497605405 /nfs/dbraw/zinc/60/54/05/497605405.db2.gz AUFZVJDDFOSDJE-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272355296 497605409 /nfs/dbraw/zinc/60/54/09/497605409.db2.gz AUFZVJDDFOSDJE-KRWDZBQOSA-N 1 2 366.377 3.218 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272591145 497673148 /nfs/dbraw/zinc/67/31/48/497673148.db2.gz TVEZIQDRYWGOKP-UHFFFAOYSA-N 1 2 364.352 3.090 20 5 FGBDLO CCOc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000276883212 497678493 /nfs/dbraw/zinc/67/84/93/497678493.db2.gz JDZIWVRRBDIWJU-AWEZNQCLSA-N 1 2 352.337 3.095 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272630427 497684766 /nfs/dbraw/zinc/68/47/66/497684766.db2.gz KGYQXFNWROOMRK-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272630427 497684769 /nfs/dbraw/zinc/68/47/69/497684769.db2.gz KGYQXFNWROOMRK-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272716871 497711193 /nfs/dbraw/zinc/71/11/93/497711193.db2.gz YSRAZLPYCWOSDR-CQSZACIVSA-N 1 2 366.805 3.004 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272716871 497711196 /nfs/dbraw/zinc/71/11/96/497711196.db2.gz YSRAZLPYCWOSDR-CQSZACIVSA-N 1 2 366.805 3.004 20 5 FGBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173377 497733323 /nfs/dbraw/zinc/73/33/23/497733323.db2.gz XFBDQQVFQBHWLY-KBRIMQKVSA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173377 497733326 /nfs/dbraw/zinc/73/33/26/497733326.db2.gz XFBDQQVFQBHWLY-KBRIMQKVSA-N 1 2 371.393 3.023 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cs1 ZINC000280425605 497749068 /nfs/dbraw/zinc/74/90/68/497749068.db2.gz ZNHVUSQVGDLJQY-LLVKDONJSA-N 1 2 362.329 3.378 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1SC ZINC000296104637 497921956 /nfs/dbraw/zinc/92/19/56/497921956.db2.gz UJSVUORIHLOQND-UHFFFAOYSA-N 1 2 374.466 3.043 20 5 FGBDLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000575237938 505948839 /nfs/dbraw/zinc/94/88/39/505948839.db2.gz BICDAEJMNCXINU-ICFOKQHNSA-N 1 2 365.433 3.456 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1noc([C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000364429454 497952392 /nfs/dbraw/zinc/95/23/92/497952392.db2.gz ZIXDPBJYDMFZKQ-ZDUSSCGKSA-N 1 2 351.366 3.424 20 5 FGBDLO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301126345 497963352 /nfs/dbraw/zinc/96/33/52/497963352.db2.gz UIGWVBMOZKNDKG-OAHLLOKOSA-N 1 2 370.409 3.140 20 5 FGBDLO Cc1cc(NCc2ncnn2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281033706 497995450 /nfs/dbraw/zinc/99/54/50/497995450.db2.gz URANMFIWXVYXNR-UHFFFAOYSA-N 1 2 353.386 3.145 20 5 FGBDLO COc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301341450 498064727 /nfs/dbraw/zinc/06/47/27/498064727.db2.gz GCLWKOJTGHWKTA-OKILXGFUSA-N 1 2 372.425 3.224 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000578586267 505973571 /nfs/dbraw/zinc/97/35/71/505973571.db2.gz PUUFBNZUUKZRAD-FQEVSTJZSA-N 1 2 371.437 3.227 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)nc2c1 ZINC000285422049 498080190 /nfs/dbraw/zinc/08/01/90/498080190.db2.gz DTKIYEQBYNQHJF-AWEZNQCLSA-N 1 2 359.304 3.015 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)nc2c1 ZINC000285422049 498080198 /nfs/dbraw/zinc/08/01/98/498080198.db2.gz DTKIYEQBYNQHJF-AWEZNQCLSA-N 1 2 359.304 3.015 20 5 FGBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc[nH+]1 ZINC000301390796 498088160 /nfs/dbraw/zinc/08/81/60/498088160.db2.gz ANNOZOXEGRRUMO-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285455134 498090520 /nfs/dbraw/zinc/09/05/20/498090520.db2.gz YVZHQBBZSHLLSV-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285455134 498090514 /nfs/dbraw/zinc/09/05/14/498090514.db2.gz YVZHQBBZSHLLSV-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO O=[N+]([O-])c1ccccc1CCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301469382 498123288 /nfs/dbraw/zinc/12/32/88/498123288.db2.gz RVJIPUDLCSCGJK-UHFFFAOYSA-N 1 2 360.377 3.378 20 5 FGBDLO COc1ccc([C@H](CNc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301550948 498159274 /nfs/dbraw/zinc/15/92/74/498159274.db2.gz GWXUPGUTPALQST-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)c(Br)c1 ZINC000301572849 498169947 /nfs/dbraw/zinc/16/99/47/498169947.db2.gz XNQCPPVLCIYFIF-UHFFFAOYSA-N 1 2 362.187 3.055 20 5 FGBDLO COc1ccc([C@H](CCO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000285716946 498180255 /nfs/dbraw/zinc/18/02/55/498180255.db2.gz SRUUPJGMUSIZPO-KRWDZBQOSA-N 1 2 352.337 3.095 20 5 FGBDLO COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1[nH+]ccn1C ZINC000301659648 498209450 /nfs/dbraw/zinc/20/94/50/498209450.db2.gz TWGSLQRSPRYZNR-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@@H]1CCCO1 ZINC000289727237 498267355 /nfs/dbraw/zinc/26/73/55/498267355.db2.gz JVVUEHYCXQXUBK-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@@H]1CCCO1 ZINC000289727237 498267364 /nfs/dbraw/zinc/26/73/64/498267364.db2.gz JVVUEHYCXQXUBK-HOCLYGCPSA-N 1 2 358.398 3.034 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000331187489 498271239 /nfs/dbraw/zinc/27/12/39/498271239.db2.gz UCBBWKWIFKGAOJ-CQSZACIVSA-N 1 2 357.410 3.324 20 5 FGBDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000301882161 498309440 /nfs/dbraw/zinc/30/94/40/498309440.db2.gz WSFWXPJCSVDWKX-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)on1 ZINC000302000783 498361952 /nfs/dbraw/zinc/36/19/52/498361952.db2.gz IXEADOPCVVCSMN-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1[C@H]1CCCO1 ZINC000289982335 498380668 /nfs/dbraw/zinc/38/06/68/498380668.db2.gz XXBQDGFZHGHJKA-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1[C@H]1CCCO1 ZINC000289982335 498380672 /nfs/dbraw/zinc/38/06/72/498380672.db2.gz XXBQDGFZHGHJKA-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365455807 498475118 /nfs/dbraw/zinc/47/51/18/498475118.db2.gz FBWNXYMQKXNGAE-HNNXBMFYSA-N 1 2 356.426 3.273 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000365519677 498508187 /nfs/dbraw/zinc/50/81/87/498508187.db2.gz DPWBAFTTWSTPLT-ZDUSSCGKSA-N 1 2 374.416 3.151 20 5 FGBDLO Cc1cc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000302778936 498570034 /nfs/dbraw/zinc/57/00/34/498570034.db2.gz QKGNHPNUKDYTNP-UHFFFAOYSA-N 1 2 363.377 3.023 20 5 FGBDLO Cc1sc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1[N+](=O)[O-] ZINC000332209743 498602003 /nfs/dbraw/zinc/60/20/03/498602003.db2.gz GBHGIVKBJWBTHI-NSHDSACASA-N 1 2 362.455 3.204 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363234743 498718017 /nfs/dbraw/zinc/71/80/17/498718017.db2.gz QGRUDKBUONZBRI-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363234743 498718023 /nfs/dbraw/zinc/71/80/23/498718023.db2.gz QGRUDKBUONZBRI-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000283084611 498774620 /nfs/dbraw/zinc/77/46/20/498774620.db2.gz SSWBSJIBRVCXBK-LBPRGKRZSA-N 1 2 367.203 3.208 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000294757156 498795148 /nfs/dbraw/zinc/79/51/48/498795148.db2.gz PQRULIJQAUPCSI-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2c2cc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000287593795 498807394 /nfs/dbraw/zinc/80/73/94/498807394.db2.gz FFUYNAZEUIAEFR-MRXNPFEDSA-N 1 2 350.382 3.425 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000288201027 498966171 /nfs/dbraw/zinc/96/61/71/498966171.db2.gz MIHJAQNNFSVDHM-UHFFFAOYSA-N 1 2 364.352 3.430 20 5 FGBDLO Cn1cc(C[NH2+]Cc2noc3c2CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288369653 499007609 /nfs/dbraw/zinc/00/76/09/499007609.db2.gz DWAZXGRBZPXCPB-UHFFFAOYSA-N 1 2 367.409 3.152 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370535350 499229535 /nfs/dbraw/zinc/22/95/35/499229535.db2.gz YCULHPAWUHVJHM-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370535350 499229537 /nfs/dbraw/zinc/22/95/37/499229537.db2.gz YCULHPAWUHVJHM-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000370622513 499236577 /nfs/dbraw/zinc/23/65/77/499236577.db2.gz ORPYTLSBSRYMOT-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000370622513 499236579 /nfs/dbraw/zinc/23/65/79/499236579.db2.gz ORPYTLSBSRYMOT-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370965391 499275864 /nfs/dbraw/zinc/27/58/64/499275864.db2.gz NLGURPLGFPGODB-GDBMZVCRSA-N 1 2 371.441 3.346 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000582135030 506141967 /nfs/dbraw/zinc/14/19/67/506141967.db2.gz FIWFSIHJYUHCIA-UHFFFAOYSA-N 1 2 360.385 3.009 20 5 FGBDLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010028 499356921 /nfs/dbraw/zinc/35/69/21/499356921.db2.gz MSTIQHJSAUYWEX-CQSZACIVSA-N 1 2 372.404 3.137 20 5 FGBDLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010028 499356923 /nfs/dbraw/zinc/35/69/23/499356923.db2.gz MSTIQHJSAUYWEX-CQSZACIVSA-N 1 2 372.404 3.137 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)c1 ZINC000369018237 499357657 /nfs/dbraw/zinc/35/76/57/499357657.db2.gz KTGSTXOSDPWYCG-CYBMUJFWSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)c1 ZINC000369018237 499357659 /nfs/dbraw/zinc/35/76/59/499357659.db2.gz KTGSTXOSDPWYCG-CYBMUJFWSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)c1 ZINC000369019575 499357931 /nfs/dbraw/zinc/35/79/31/499357931.db2.gz QNXZDQSPPGFQII-ZDUSSCGKSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)c1 ZINC000369019575 499357933 /nfs/dbraw/zinc/35/79/33/499357933.db2.gz QNXZDQSPPGFQII-ZDUSSCGKSA-N 1 2 359.411 3.345 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000372453065 499436844 /nfs/dbraw/zinc/43/68/44/499436844.db2.gz GIYNQQDNQPIOTF-LBPRGKRZSA-N 1 2 354.410 3.136 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000372453065 499436845 /nfs/dbraw/zinc/43/68/45/499436845.db2.gz GIYNQQDNQPIOTF-LBPRGKRZSA-N 1 2 354.410 3.136 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465991 499522572 /nfs/dbraw/zinc/52/25/72/499522572.db2.gz APLKTNIAZXVOAJ-MSOLQXFVSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465991 499522573 /nfs/dbraw/zinc/52/25/73/499522573.db2.gz APLKTNIAZXVOAJ-MSOLQXFVSA-N 1 2 370.405 3.425 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376551178 499617578 /nfs/dbraw/zinc/61/75/78/499617578.db2.gz HXWNEPORTCONEI-FZKQIMNGSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376551178 499617579 /nfs/dbraw/zinc/61/75/79/499617579.db2.gz HXWNEPORTCONEI-FZKQIMNGSA-N 1 2 354.410 3.320 20 5 FGBDLO C[C@@](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)(C1CC1)C(F)(F)F ZINC000410524882 499666073 /nfs/dbraw/zinc/66/60/73/499666073.db2.gz MLFVTBLENUTRFN-OAHLLOKOSA-N 1 2 368.315 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000573269340 506158370 /nfs/dbraw/zinc/15/83/70/506158370.db2.gz DGQNGSLYWVFCNO-UHFFFAOYSA-N 1 2 371.412 3.467 20 5 FGBDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000412180148 499831269 /nfs/dbraw/zinc/83/12/69/499831269.db2.gz BCHKQGWCUFTHAK-RNJTYBCJSA-N 1 2 354.410 3.005 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCCN(c4ncccn4)C3)c2c1 ZINC000413085356 499911796 /nfs/dbraw/zinc/91/17/96/499911796.db2.gz VUXXYEKEINENME-CQSZACIVSA-N 1 2 350.382 3.014 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)oc1C ZINC000413117308 499916149 /nfs/dbraw/zinc/91/61/49/499916149.db2.gz JBKZYEPODVDYJH-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413166029 499921616 /nfs/dbraw/zinc/92/16/16/499921616.db2.gz HYSFRDIYNCHCNE-UHFFFAOYSA-N 1 2 359.405 3.267 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C(F)(F)F)c1 ZINC000413186469 499924087 /nfs/dbraw/zinc/92/40/87/499924087.db2.gz BRDRUUYKIGMGCK-LBPRGKRZSA-N 1 2 354.288 3.061 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](N[C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417341350 500044971 /nfs/dbraw/zinc/04/49/71/500044971.db2.gz BMKCAOQUVSBKNV-OALUTQOASA-N 1 2 364.405 3.279 20 5 FGBDLO Cn1c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000425569734 500149364 /nfs/dbraw/zinc/14/93/64/500149364.db2.gz KUXGPEJIHQQEDB-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000576551230 506184777 /nfs/dbraw/zinc/18/47/77/506184777.db2.gz ODQCGAIPNXKBFW-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428343010 500498465 /nfs/dbraw/zinc/49/84/65/500498465.db2.gz DAVKANGZXVMPPE-LBPRGKRZSA-N 1 2 360.439 3.037 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000433228659 500650947 /nfs/dbraw/zinc/65/09/47/500650947.db2.gz ABVVQEAYRQAZLZ-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000433228659 500650950 /nfs/dbraw/zinc/65/09/50/500650950.db2.gz ABVVQEAYRQAZLZ-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO Cc1nc(C)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])s1 ZINC000447812406 500667231 /nfs/dbraw/zinc/66/72/31/500667231.db2.gz LUHDYNYIRHXLTF-UHFFFAOYSA-N 1 2 362.455 3.112 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOCc1ccccc1 ZINC000447811099 500667660 /nfs/dbraw/zinc/66/76/60/500667660.db2.gz CLRKAXJCSJHJRC-UHFFFAOYSA-N 1 2 371.437 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC[C@@H]1CCCCO1 ZINC000447815381 500668234 /nfs/dbraw/zinc/66/82/34/500668234.db2.gz FOJRBHVMYKFAJM-KRWDZBQOSA-N 1 2 363.458 3.188 20 5 FGBDLO O=C(NCCCOC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448601299 500782258 /nfs/dbraw/zinc/78/22/58/500782258.db2.gz ROFWFEYYIKWOIG-UHFFFAOYSA-N 1 2 372.425 3.250 20 5 FGBDLO Cc1cc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)on1 ZINC000448713903 500812239 /nfs/dbraw/zinc/81/22/39/500812239.db2.gz NRLWGEGNCAKISQ-HNNXBMFYSA-N 1 2 367.365 3.054 20 5 FGBDLO CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448936922 500873998 /nfs/dbraw/zinc/87/39/98/500873998.db2.gz IYADMQWZLJWXHH-MRXNPFEDSA-N 1 2 372.425 3.202 20 5 FGBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000444681338 500877723 /nfs/dbraw/zinc/87/77/23/500877723.db2.gz UXGHIXNLXXBVCT-JTQLQIEISA-N 1 2 374.372 3.478 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1F ZINC000449027452 500903403 /nfs/dbraw/zinc/90/34/03/500903403.db2.gz IJCXMBHHRIUOSZ-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)c([N+](=O)[O-])n1 ZINC000602611033 506229044 /nfs/dbraw/zinc/22/90/44/506229044.db2.gz ZKALBWSBPLQBEK-JTQLQIEISA-N 1 2 371.260 3.489 20 5 FGBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)c([N+](=O)[O-])n1 ZINC000602611033 506229048 /nfs/dbraw/zinc/22/90/48/506229048.db2.gz ZKALBWSBPLQBEK-JTQLQIEISA-N 1 2 371.260 3.489 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000602603205 506229910 /nfs/dbraw/zinc/22/99/10/506229910.db2.gz NCPPJWZLQKHBQG-SECBINFHSA-N 1 2 355.320 3.002 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000435987315 501054660 /nfs/dbraw/zinc/05/46/60/501054660.db2.gz CRRWEKQCCIHYEU-OAHLLOKOSA-N 1 2 358.398 3.187 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000441081493 501085387 /nfs/dbraw/zinc/08/53/87/501085387.db2.gz VNERGLQPRGVMCS-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000441081493 501085390 /nfs/dbraw/zinc/08/53/90/501085390.db2.gz VNERGLQPRGVMCS-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000441094544 501087484 /nfs/dbraw/zinc/08/74/84/501087484.db2.gz SVGZJBPMKIWFOJ-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000441094544 501087487 /nfs/dbraw/zinc/08/74/87/501087487.db2.gz SVGZJBPMKIWFOJ-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000436398927 501120774 /nfs/dbraw/zinc/12/07/74/501120774.db2.gz BPAUQEHRSWSNLZ-AWEZNQCLSA-N 1 2 366.425 3.342 20 5 FGBDLO CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450445436 501123266 /nfs/dbraw/zinc/12/32/66/501123266.db2.gz GMMRKAAYVQJWRP-HZPDHXFCSA-N 1 2 372.425 3.104 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598942653 506236382 /nfs/dbraw/zinc/23/63/82/506236382.db2.gz NUUPWQIZOYSXDK-CQSZACIVSA-N 1 2 374.466 3.284 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949938 506240381 /nfs/dbraw/zinc/24/03/81/506240381.db2.gz XPPUQHLMTPEZJE-GFCCVEGCSA-N 1 2 360.439 3.037 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450828068 501214597 /nfs/dbraw/zinc/21/45/97/501214597.db2.gz JKWLSPREDAUDSS-CYBMUJFWSA-N 1 2 352.398 3.172 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451334287 501268115 /nfs/dbraw/zinc/26/81/15/501268115.db2.gz SMJPEHRJJBXFPQ-CMPLNLGQSA-N 1 2 368.315 3.193 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000451549097 501319833 /nfs/dbraw/zinc/31/98/33/501319833.db2.gz OXYGRIFSBVLZKZ-INIZCTEOSA-N 1 2 372.425 3.251 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000451549097 501319834 /nfs/dbraw/zinc/31/98/34/501319834.db2.gz OXYGRIFSBVLZKZ-INIZCTEOSA-N 1 2 372.425 3.251 20 5 FGBDLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550084 501320547 /nfs/dbraw/zinc/32/05/47/501320547.db2.gz QUYXDALXWVXZHI-SJLPKXTDSA-N 1 2 355.394 3.084 20 5 FGBDLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550084 501320549 /nfs/dbraw/zinc/32/05/49/501320549.db2.gz QUYXDALXWVXZHI-SJLPKXTDSA-N 1 2 355.394 3.084 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)C(F)(F)F ZINC000451563194 501325137 /nfs/dbraw/zinc/32/51/37/501325137.db2.gz DJTVRFINZBPJOU-JTQLQIEISA-N 1 2 356.304 3.193 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000453407246 501325618 /nfs/dbraw/zinc/32/56/18/501325618.db2.gz UMHSZYLYQKTBGE-GOSISDBHSA-N 1 2 358.442 3.214 20 5 FGBDLO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000451868114 501389292 /nfs/dbraw/zinc/38/92/92/501389292.db2.gz YISYXUGVKZWKCH-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1Br ZINC000602675518 506256176 /nfs/dbraw/zinc/25/61/76/506256176.db2.gz KFYMVBFJTGJTJK-VIFPVBQESA-N 1 2 357.233 3.062 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1Br ZINC000602675518 506256182 /nfs/dbraw/zinc/25/61/82/506256182.db2.gz KFYMVBFJTGJTJK-VIFPVBQESA-N 1 2 357.233 3.062 20 5 FGBDLO CSCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000452494542 501513155 /nfs/dbraw/zinc/51/31/55/501513155.db2.gz WFCVZNWRINCFJR-UHFFFAOYSA-N 1 2 374.466 3.432 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2n1[C@@H](C)CO ZINC000456704753 501582375 /nfs/dbraw/zinc/58/23/75/501582375.db2.gz IBMLTUBYATZZJJ-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000456721704 501586070 /nfs/dbraw/zinc/58/60/70/501586070.db2.gz QZAWWSVDTCALBL-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456993645 501631567 /nfs/dbraw/zinc/63/15/67/501631567.db2.gz SUTFMNWVNTXPGI-LLKNDRQVSA-N 1 2 366.421 3.289 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296251 501762730 /nfs/dbraw/zinc/76/27/30/501762730.db2.gz AUQYGQAJFIZKHP-OWQGQXMQSA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296251 501762734 /nfs/dbraw/zinc/76/27/34/501762734.db2.gz AUQYGQAJFIZKHP-OWQGQXMQSA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296254 501762869 /nfs/dbraw/zinc/76/28/69/501762869.db2.gz AUQYGQAJFIZKHP-XCRHUMRWSA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296254 501762870 /nfs/dbraw/zinc/76/28/70/501762870.db2.gz AUQYGQAJFIZKHP-XCRHUMRWSA-N 1 2 362.426 3.156 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3ccc(Cl)cc3)n1)CC2 ZINC000467438350 501794252 /nfs/dbraw/zinc/79/42/52/501794252.db2.gz FTAVAZDGUNYJGL-UHFFFAOYSA-N 1 2 369.812 3.387 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3ccc(Cl)cc3)n1)CC2 ZINC000467438350 501794258 /nfs/dbraw/zinc/79/42/58/501794258.db2.gz FTAVAZDGUNYJGL-UHFFFAOYSA-N 1 2 369.812 3.387 20 5 FGBDLO CCOC(=O)c1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000467745216 501859131 /nfs/dbraw/zinc/85/91/31/501859131.db2.gz XMEPKZNQJIGDRK-UHFFFAOYSA-N 1 2 370.409 3.379 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949627 501866268 /nfs/dbraw/zinc/86/62/68/501866268.db2.gz XDQQQGCLRHDXHM-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949627 501866274 /nfs/dbraw/zinc/86/62/74/501866274.db2.gz XDQQQGCLRHDXHM-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485863805 501965618 /nfs/dbraw/zinc/96/56/18/501965618.db2.gz ZLWUBFIFVHLZEN-ZDUSSCGKSA-N 1 2 351.447 3.117 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485863805 501965623 /nfs/dbraw/zinc/96/56/23/501965623.db2.gz ZLWUBFIFVHLZEN-ZDUSSCGKSA-N 1 2 351.447 3.117 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000474970485 502007256 /nfs/dbraw/zinc/00/72/56/502007256.db2.gz QLTYKFYPBHNNQJ-JTQLQIEISA-N 1 2 374.347 3.409 20 5 FGBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000599040326 506288938 /nfs/dbraw/zinc/28/89/38/506288938.db2.gz HUYSAYBPFFXJJD-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000599040326 506288941 /nfs/dbraw/zinc/28/89/41/506288941.db2.gz HUYSAYBPFFXJJD-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO CC(C)(C)OCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000475053354 502038292 /nfs/dbraw/zinc/03/82/92/502038292.db2.gz IRKIVZKVFUQTRA-UHFFFAOYSA-N 1 2 369.487 3.009 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C ZINC000461215143 502041596 /nfs/dbraw/zinc/04/15/96/502041596.db2.gz BKVHLHZKRAYBLR-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000602786997 506298653 /nfs/dbraw/zinc/29/86/53/506298653.db2.gz ZIWXSLKDKVJBOO-IBGZPJMESA-N 1 2 351.410 3.006 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000602786997 506298662 /nfs/dbraw/zinc/29/86/62/506298662.db2.gz ZIWXSLKDKVJBOO-IBGZPJMESA-N 1 2 351.410 3.006 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005309 502443862 /nfs/dbraw/zinc/44/38/62/502443862.db2.gz XWFWDVDTRJECJI-CHWSQXEVSA-N 1 2 371.441 3.039 20 5 FGBDLO CCC1(CC)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1OC ZINC000483906423 502518709 /nfs/dbraw/zinc/51/87/09/502518709.db2.gz GCMYIHNMBBUAQW-IAGOWNOFSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000484216333 502600708 /nfs/dbraw/zinc/60/07/08/502600708.db2.gz CWWYGHBODYUBHM-HUUCEWRRSA-N 1 2 354.410 3.318 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)oc1C ZINC000488064613 502615523 /nfs/dbraw/zinc/61/55/23/502615523.db2.gz MRRMUXDBVVMDIQ-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO Cc1cccc(CCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000480681164 502640702 /nfs/dbraw/zinc/64/07/02/502640702.db2.gz GNMIMBXQOPAAKH-UHFFFAOYSA-N 1 2 373.478 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484555061 502668188 /nfs/dbraw/zinc/66/81/88/502668188.db2.gz QIMDTNKKXYJAML-HXUWFJFHSA-N 1 2 372.421 3.144 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484555061 502668191 /nfs/dbraw/zinc/66/81/91/502668191.db2.gz QIMDTNKKXYJAML-HXUWFJFHSA-N 1 2 372.421 3.144 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000463083704 502688944 /nfs/dbraw/zinc/68/89/44/502688944.db2.gz HLIXXEJXVROEDH-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000463088901 502689989 /nfs/dbraw/zinc/68/99/89/502689989.db2.gz OLLIJGGNCLJSND-ZDUSSCGKSA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000463088901 502689992 /nfs/dbraw/zinc/68/99/92/502689992.db2.gz OLLIJGGNCLJSND-ZDUSSCGKSA-N 1 2 367.331 3.090 20 5 FGBDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000480904145 502701773 /nfs/dbraw/zinc/70/17/73/502701773.db2.gz WNIQKGKKHYMBET-UHFFFAOYSA-N 1 2 362.389 3.383 20 5 FGBDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000480904145 502701778 /nfs/dbraw/zinc/70/17/78/502701778.db2.gz WNIQKGKKHYMBET-UHFFFAOYSA-N 1 2 362.389 3.383 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000602883107 506337350 /nfs/dbraw/zinc/33/73/50/506337350.db2.gz WKIQEPSOZMEYFP-LBPRGKRZSA-N 1 2 368.340 3.265 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000602883107 506337352 /nfs/dbraw/zinc/33/73/52/506337352.db2.gz WKIQEPSOZMEYFP-LBPRGKRZSA-N 1 2 368.340 3.265 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000509404841 502893326 /nfs/dbraw/zinc/89/33/26/502893326.db2.gz BVLQGDYXSGBCDJ-UHFFFAOYSA-N 1 2 358.394 3.412 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000509404841 502893330 /nfs/dbraw/zinc/89/33/30/502893330.db2.gz BVLQGDYXSGBCDJ-UHFFFAOYSA-N 1 2 358.394 3.412 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513673412 502997718 /nfs/dbraw/zinc/99/77/18/502997718.db2.gz QPHHFATZUMLNSG-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999183 503064092 /nfs/dbraw/zinc/06/40/92/503064092.db2.gz KLGPXOATIKKAKT-SFHVURJKSA-N 1 2 373.840 3.354 20 5 FGBDLO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000510525077 503133294 /nfs/dbraw/zinc/13/32/94/503133294.db2.gz MLKDMGQFMTVUGF-FZKQIMNGSA-N 1 2 357.410 3.030 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000498793393 503265160 /nfs/dbraw/zinc/26/51/60/503265160.db2.gz QSIDSADUGCLVFX-JKIFEVAISA-N 1 2 366.421 3.040 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511136820 503265467 /nfs/dbraw/zinc/26/54/67/503265467.db2.gz KXXSJASNKPCNJN-ZDUSSCGKSA-N 1 2 371.393 3.313 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511136820 503265473 /nfs/dbraw/zinc/26/54/73/503265473.db2.gz KXXSJASNKPCNJN-ZDUSSCGKSA-N 1 2 371.393 3.313 20 5 FGBDLO COc1cc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503212938 503368522 /nfs/dbraw/zinc/36/85/22/503368522.db2.gz WWGCTZCENQJBGX-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503212938 503368525 /nfs/dbraw/zinc/36/85/25/503368525.db2.gz WWGCTZCENQJBGX-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCN(CC(F)F)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492579563 503375929 /nfs/dbraw/zinc/37/59/29/503375929.db2.gz ASNLFEILCJRHOF-AWEZNQCLSA-N 1 2 357.401 3.155 20 5 FGBDLO CCOc1cc(C[N@H+]2CCN(CC(F)F)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492579563 503375932 /nfs/dbraw/zinc/37/59/32/503375932.db2.gz ASNLFEILCJRHOF-AWEZNQCLSA-N 1 2 357.401 3.155 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062883 506368920 /nfs/dbraw/zinc/36/89/20/506368920.db2.gz KEZXOQSIYCDZJR-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062883 506368926 /nfs/dbraw/zinc/36/89/26/506368926.db2.gz KEZXOQSIYCDZJR-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000503626019 503447885 /nfs/dbraw/zinc/44/78/85/503447885.db2.gz IEOAXBHPTZMDED-UHFFFAOYSA-N 1 2 372.400 3.392 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593073965 506375845 /nfs/dbraw/zinc/37/58/45/506375845.db2.gz ZCCVKSOJUHFBRQ-LLVKDONJSA-N 1 2 369.368 3.052 20 5 FGBDLO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494641095 503580849 /nfs/dbraw/zinc/58/08/49/503580849.db2.gz DILUQQJMNJOJRH-FZMZJTMJSA-N 1 2 374.422 3.399 20 5 FGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)nc1-c1ccc(F)cc1 ZINC000517005469 503642152 /nfs/dbraw/zinc/64/21/52/503642152.db2.gz ROUQBVZNAAAWMP-UHFFFAOYSA-N 1 2 355.373 3.307 20 5 FGBDLO COc1ccc(CC(=O)Nc2c[nH+]ccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000533109737 503734838 /nfs/dbraw/zinc/73/48/38/503734838.db2.gz UUQAMKWPRWJGHP-UHFFFAOYSA-N 1 2 359.382 3.357 20 5 FGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000517681905 503806187 /nfs/dbraw/zinc/80/61/87/503806187.db2.gz CBTDUEHWFVQSSM-OKILXGFUSA-N 1 2 371.441 3.072 20 5 FGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540872627 503921146 /nfs/dbraw/zinc/92/11/46/503921146.db2.gz XLUYTSYMQJQTLE-UHFFFAOYSA-N 1 2 368.418 3.393 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000533935810 503996072 /nfs/dbraw/zinc/99/60/72/503996072.db2.gz VIFVNIGMAMRERS-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000533935810 503996075 /nfs/dbraw/zinc/99/60/75/503996075.db2.gz VIFVNIGMAMRERS-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO COc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000541101546 504007614 /nfs/dbraw/zinc/00/76/14/504007614.db2.gz YHDKCBHYKDJPCW-UHFFFAOYSA-N 1 2 367.365 3.111 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCc2ccsc2)CC1 ZINC000541161437 504026329 /nfs/dbraw/zinc/02/63/29/504026329.db2.gz MTZBLPADPHGMAK-UHFFFAOYSA-N 1 2 365.480 3.108 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccccn3)o2)cc1 ZINC000530963032 504144771 /nfs/dbraw/zinc/14/47/71/504144771.db2.gz TZXHZNXUQUTQID-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccccn3)o2)cc1 ZINC000530963032 504144773 /nfs/dbraw/zinc/14/47/73/504144773.db2.gz TZXHZNXUQUTQID-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000544618163 504192939 /nfs/dbraw/zinc/19/29/39/504192939.db2.gz BYOBPFHNPVBRRI-UHFFFAOYSA-N 1 2 361.377 3.297 20 5 FGBDLO CCN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000541784425 504252787 /nfs/dbraw/zinc/25/27/87/504252787.db2.gz KLKSRRCUBZLGTM-UHFFFAOYSA-N 1 2 363.801 3.172 20 5 FGBDLO CCN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000541784425 504252790 /nfs/dbraw/zinc/25/27/90/504252790.db2.gz KLKSRRCUBZLGTM-UHFFFAOYSA-N 1 2 363.801 3.172 20 5 FGBDLO CS[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000542203465 504404224 /nfs/dbraw/zinc/40/42/24/504404224.db2.gz BBKNCVGQCZVJMS-HNNXBMFYSA-N 1 2 362.455 3.288 20 5 FGBDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000536005736 504604619 /nfs/dbraw/zinc/60/46/19/504604619.db2.gz KHJZHAFSOIZITG-NRFANRHFSA-N 1 2 367.449 3.466 20 5 FGBDLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000536005736 504604625 /nfs/dbraw/zinc/60/46/25/504604625.db2.gz KHJZHAFSOIZITG-NRFANRHFSA-N 1 2 367.449 3.466 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nnc(C)s3)o2)c([N+](=O)[O-])c1 ZINC000542799763 504614408 /nfs/dbraw/zinc/61/44/08/504614408.db2.gz CBJRFGOEGJMQRU-UHFFFAOYSA-N 1 2 360.395 3.313 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000548934919 504626183 /nfs/dbraw/zinc/62/61/83/504626183.db2.gz WPVBBNQVMYJVIB-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000548934919 504626189 /nfs/dbraw/zinc/62/61/89/504626189.db2.gz WPVBBNQVMYJVIB-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000559107878 504783836 /nfs/dbraw/zinc/78/38/36/504783836.db2.gz COGJLTSYKWKKKV-NSHDSACASA-N 1 2 358.238 3.113 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000559107878 504783840 /nfs/dbraw/zinc/78/38/40/504783840.db2.gz COGJLTSYKWKKKV-NSHDSACASA-N 1 2 358.238 3.113 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000550210995 504993341 /nfs/dbraw/zinc/99/33/41/504993341.db2.gz FIOFUIQYPQEYJC-ZDUSSCGKSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000550210995 504993342 /nfs/dbraw/zinc/99/33/42/504993342.db2.gz FIOFUIQYPQEYJC-ZDUSSCGKSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000556885014 505005650 /nfs/dbraw/zinc/00/56/50/505005650.db2.gz GAMJSLMDJNWFCH-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000563480117 505151365 /nfs/dbraw/zinc/15/13/65/505151365.db2.gz QWGKRXGPVQKVDX-UHFFFAOYSA-N 1 2 363.377 3.442 20 5 FGBDLO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000566369062 505155497 /nfs/dbraw/zinc/15/54/97/505155497.db2.gz ZYCFSCOLSBECJW-HNNXBMFYSA-N 1 2 362.348 3.405 20 5 FGBDLO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000566369062 505155501 /nfs/dbraw/zinc/15/55/01/505155501.db2.gz ZYCFSCOLSBECJW-HNNXBMFYSA-N 1 2 362.348 3.405 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000563636329 505197785 /nfs/dbraw/zinc/19/77/85/505197785.db2.gz MNTMRVIXELFXDG-SFHVURJKSA-N 1 2 356.357 3.052 20 5 FGBDLO CC(C)c1nnc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000561315416 505312551 /nfs/dbraw/zinc/31/25/51/505312551.db2.gz ZPDNXXDHVAVFIN-OAHLLOKOSA-N 1 2 372.454 3.182 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552336814 505465200 /nfs/dbraw/zinc/46/52/00/505465200.db2.gz KGGJXJMWTFCSIS-ZDUSSCGKSA-N 1 2 354.332 3.350 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552336813 505465388 /nfs/dbraw/zinc/46/53/88/505465388.db2.gz KGGJXJMWTFCSIS-CYBMUJFWSA-N 1 2 354.332 3.350 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000552515031 505506640 /nfs/dbraw/zinc/50/66/40/505506640.db2.gz VUWKWPJKLVHAMC-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000552515031 505506642 /nfs/dbraw/zinc/50/66/42/505506642.db2.gz VUWKWPJKLVHAMC-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792932 505516035 /nfs/dbraw/zinc/51/60/35/505516035.db2.gz XHIXITHCTAWTOU-LRDDRELGSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792932 505516036 /nfs/dbraw/zinc/51/60/36/505516036.db2.gz XHIXITHCTAWTOU-LRDDRELGSA-N 1 2 369.849 3.322 20 5 FGBDLO Cc1cc[nH+]cc1Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000596617945 506493621 /nfs/dbraw/zinc/49/36/21/506493621.db2.gz YNRFPMLAOAAZML-UHFFFAOYSA-N 1 2 353.382 3.317 20 5 FGBDLO COc1cc([N+](=O)[O-])cn(CCCCCn2c(C)[nH+]c3ccccc32)c1=O ZINC000603360198 506493950 /nfs/dbraw/zinc/49/39/50/506493950.db2.gz WGJLUCMNPJTNTP-UHFFFAOYSA-N 1 2 370.409 3.294 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599553492 506496778 /nfs/dbraw/zinc/49/67/78/506496778.db2.gz WXDXYTLJDVOKIZ-NEPJUHHUSA-N 1 2 355.847 3.157 20 5 FGBDLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599553492 506496787 /nfs/dbraw/zinc/49/67/87/506496787.db2.gz WXDXYTLJDVOKIZ-NEPJUHHUSA-N 1 2 355.847 3.157 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000599621604 506533238 /nfs/dbraw/zinc/53/32/38/506533238.db2.gz BPUIADFHTIUNEC-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000599621604 506533247 /nfs/dbraw/zinc/53/32/47/506533247.db2.gz BPUIADFHTIUNEC-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646485 506549324 /nfs/dbraw/zinc/54/93/24/506549324.db2.gz KZAWDBMAAVGDCF-LBPRGKRZSA-N 1 2 366.377 3.470 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646485 506549331 /nfs/dbraw/zinc/54/93/31/506549331.db2.gz KZAWDBMAAVGDCF-LBPRGKRZSA-N 1 2 366.377 3.470 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000583149763 506617029 /nfs/dbraw/zinc/61/70/29/506617029.db2.gz DTYSRUQTYBXWDO-GOSISDBHSA-N 1 2 351.410 3.415 20 5 FGBDLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000583243898 506670675 /nfs/dbraw/zinc/67/06/75/506670675.db2.gz HXAPDGRYOFGNDM-IUODEOHRSA-N 1 2 366.377 3.427 20 5 FGBDLO Cc1cc(Br)cn2cc(CNc3cccnc3[N+](=O)[O-])[nH+]c12 ZINC000612663979 506680382 /nfs/dbraw/zinc/68/03/82/506680382.db2.gz WAPIUIQURBRHBE-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cn1cc(-c2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cs2)cn1 ZINC000590020766 506708404 /nfs/dbraw/zinc/70/84/04/506708404.db2.gz QPRBENAEECWQET-UHFFFAOYSA-N 1 2 357.439 3.477 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000590053741 506717036 /nfs/dbraw/zinc/71/70/36/506717036.db2.gz JVPCNCPFQVHOCO-ZDUSSCGKSA-N 1 2 356.378 3.165 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000590053741 506717042 /nfs/dbraw/zinc/71/70/42/506717042.db2.gz JVPCNCPFQVHOCO-ZDUSSCGKSA-N 1 2 356.378 3.165 20 5 FGBDLO CCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590154245 506750974 /nfs/dbraw/zinc/75/09/74/506750974.db2.gz VRGNCUMXKGTJAZ-UHFFFAOYSA-N 1 2 373.375 3.494 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131181 506785533 /nfs/dbraw/zinc/78/55/33/506785533.db2.gz JVJISPKGTGNDCI-HIFRSBDPSA-N 1 2 360.439 3.136 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000612991276 506854467 /nfs/dbraw/zinc/85/44/67/506854467.db2.gz JTSXUPFRUQUXHU-SVUXDUJVSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000612991276 506854474 /nfs/dbraw/zinc/85/44/74/506854474.db2.gz JTSXUPFRUQUXHU-SVUXDUJVSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000604533455 506864292 /nfs/dbraw/zinc/86/42/92/506864292.db2.gz CBSAOQXTVPDLSN-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO COc1cc(CNc2[nH+]c3ccccc3n2C2CC2)cc([N+](=O)[O-])c1O ZINC000613104213 506916955 /nfs/dbraw/zinc/91/69/55/506916955.db2.gz BMHDYFVKBMXNQM-UHFFFAOYSA-N 1 2 354.366 3.028 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613231564 506984253 /nfs/dbraw/zinc/98/42/53/506984253.db2.gz MAMCWQVLQIXFDV-FUHWJXTLSA-N 1 2 356.426 3.224 20 5 FGBDLO O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594206185 507008626 /nfs/dbraw/zinc/00/86/26/507008626.db2.gz KASBMHMDCIPEIV-OAHLLOKOSA-N 1 2 370.409 3.002 20 5 FGBDLO C[C@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000610161153 507120162 /nfs/dbraw/zinc/12/01/62/507120162.db2.gz DLMGFCDTJWBUMF-AWEZNQCLSA-N 1 2 368.393 3.028 20 5 FGBDLO C[C@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000610161153 507120166 /nfs/dbraw/zinc/12/01/66/507120166.db2.gz DLMGFCDTJWBUMF-AWEZNQCLSA-N 1 2 368.393 3.028 20 5 FGBDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794354 507125384 /nfs/dbraw/zinc/12/53/84/507125384.db2.gz SWBCGABVECNRHI-FQEVSTJZSA-N 1 2 354.406 3.132 20 5 FGBDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794354 507125389 /nfs/dbraw/zinc/12/53/89/507125389.db2.gz SWBCGABVECNRHI-FQEVSTJZSA-N 1 2 354.406 3.132 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610292206 507179728 /nfs/dbraw/zinc/17/97/28/507179728.db2.gz MODYMXGABYVLFZ-GFCCVEGCSA-N 1 2 368.315 3.287 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610292207 507179777 /nfs/dbraw/zinc/17/97/77/507179777.db2.gz MODYMXGABYVLFZ-LBPRGKRZSA-N 1 2 368.315 3.287 20 5 FGBDLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610304114 507184702 /nfs/dbraw/zinc/18/47/02/507184702.db2.gz LVPLIFPARATYAV-KRWDZBQOSA-N 1 2 364.405 3.351 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601136494 507273717 /nfs/dbraw/zinc/27/37/17/507273717.db2.gz GIIBVAOTVJRVRZ-OAHLLOKOSA-N 1 2 354.765 3.306 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc(OC3CC3)c1F)OCCO2 ZINC000594971624 507337816 /nfs/dbraw/zinc/33/78/16/507337816.db2.gz NKZUGKQWESCJEQ-UHFFFAOYSA-N 1 2 374.368 3.336 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000595037271 507363237 /nfs/dbraw/zinc/36/32/37/507363237.db2.gz CTVQGLWEIQGGNT-AWEZNQCLSA-N 1 2 371.441 3.153 20 5 FGBDLO O=C(C[N@@H+]1CCOCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000614222660 507412660 /nfs/dbraw/zinc/41/26/60/507412660.db2.gz TZCRMUGCBVZYBX-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCOCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000614222660 507412665 /nfs/dbraw/zinc/41/26/65/507412665.db2.gz TZCRMUGCBVZYBX-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1OC(F)F ZINC000595286024 507449148 /nfs/dbraw/zinc/44/91/48/507449148.db2.gz ANPLSFKXJCVMQY-UHFFFAOYSA-N 1 2 357.313 3.133 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1OC(F)F ZINC000595286024 507449154 /nfs/dbraw/zinc/44/91/54/507449154.db2.gz ANPLSFKXJCVMQY-UHFFFAOYSA-N 1 2 357.313 3.133 20 5 FGBDLO COc1cccc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000595295303 507450390 /nfs/dbraw/zinc/45/03/90/507450390.db2.gz XRDHBNHBTPKEJQ-INIZCTEOSA-N 1 2 361.398 3.081 20 5 FGBDLO COc1cccc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000595295303 507450391 /nfs/dbraw/zinc/45/03/91/507450391.db2.gz XRDHBNHBTPKEJQ-INIZCTEOSA-N 1 2 361.398 3.081 20 5 FGBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000595354701 507469259 /nfs/dbraw/zinc/46/92/59/507469259.db2.gz QJJHMPXMCFKULM-HNNXBMFYSA-N 1 2 373.413 3.067 20 5 FGBDLO Cc1noc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000595354701 507469266 /nfs/dbraw/zinc/46/92/66/507469266.db2.gz QJJHMPXMCFKULM-HNNXBMFYSA-N 1 2 373.413 3.067 20 5 FGBDLO Cc1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595371305 507474170 /nfs/dbraw/zinc/47/41/70/507474170.db2.gz AXZQHBJRTSXNCG-UHFFFAOYSA-N 1 2 351.790 3.340 20 5 FGBDLO CN(C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000598647428 507530440 /nfs/dbraw/zinc/53/04/40/507530440.db2.gz AQZMLHYQBKIQRG-MRXNPFEDSA-N 1 2 355.385 3.361 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976445 507535432 /nfs/dbraw/zinc/53/54/32/507535432.db2.gz QFFVJKCXZSDTSB-GXFFZTMASA-N 1 2 368.340 3.062 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976445 507535437 /nfs/dbraw/zinc/53/54/37/507535437.db2.gz QFFVJKCXZSDTSB-GXFFZTMASA-N 1 2 368.340 3.062 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000611209310 507562883 /nfs/dbraw/zinc/56/28/83/507562883.db2.gz WNDMKINFXFCDQU-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000611209310 507562890 /nfs/dbraw/zinc/56/28/90/507562890.db2.gz WNDMKINFXFCDQU-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602115186 507598282 /nfs/dbraw/zinc/59/82/82/507598282.db2.gz GQQRSXOHFGHNIQ-SMDDNHRTSA-N 1 2 370.331 3.471 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135168 507604509 /nfs/dbraw/zinc/60/45/09/507604509.db2.gz YGCWFSAUJGTEIC-KUHUBIRLSA-N 1 2 369.421 3.055 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135168 507604516 /nfs/dbraw/zinc/60/45/16/507604516.db2.gz YGCWFSAUJGTEIC-KUHUBIRLSA-N 1 2 369.421 3.055 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000595677315 507622713 /nfs/dbraw/zinc/62/27/13/507622713.db2.gz YWEYSODFZOGVFL-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000595677315 507622720 /nfs/dbraw/zinc/62/27/20/507622720.db2.gz YWEYSODFZOGVFL-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554128 507734940 /nfs/dbraw/zinc/73/49/40/507734940.db2.gz FHMKGHXUIGYUGA-NWDGAFQWSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554128 507734946 /nfs/dbraw/zinc/73/49/46/507734946.db2.gz FHMKGHXUIGYUGA-NWDGAFQWSA-N 1 2 359.348 3.220 20 5 FGBDLO Cc1c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] ZINC000116307546 700592488 /nfs/dbraw/zinc/59/24/88/700592488.db2.gz VJMLJBKZSGHDHY-UHFFFAOYSA-N 1 2 360.845 3.269 20 5 FGBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC000151938614 704943587 /nfs/dbraw/zinc/94/35/87/704943587.db2.gz SROREKDPXHUKNZ-UHFFFAOYSA-N 1 2 365.231 3.175 20 5 FGBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC000151938614 704943588 /nfs/dbraw/zinc/94/35/88/704943588.db2.gz SROREKDPXHUKNZ-UHFFFAOYSA-N 1 2 365.231 3.175 20 5 FGBDLO O=C(OCc1cccnc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171572181 705388838 /nfs/dbraw/zinc/38/88/38/705388838.db2.gz JLRCNZXZKZMQMG-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000618445491 714747652 /nfs/dbraw/zinc/74/76/52/714747652.db2.gz WAOMYMTVNXESBF-UHFFFAOYSA-N 1 2 359.813 3.302 20 5 FGBDLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000784360870 724846514 /nfs/dbraw/zinc/84/65/14/724846514.db2.gz BVSYFTKMQPJMCY-MRXNPFEDSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)c2c(Cl)c1 ZINC000793743925 723463820 /nfs/dbraw/zinc/46/38/20/723463820.db2.gz ORWBILMGOWPYQC-AWEZNQCLSA-N 1 2 364.833 3.304 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCOC[C@@H](C4CCC4)C3)c2c(Cl)c1 ZINC000793743925 723463828 /nfs/dbraw/zinc/46/38/28/723463828.db2.gz ORWBILMGOWPYQC-AWEZNQCLSA-N 1 2 364.833 3.304 20 5 FGBDLO CN(C)c1cc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc[nH+]1 ZINC000767600836 723625223 /nfs/dbraw/zinc/62/52/23/723625223.db2.gz XIQABHDPNHYTTC-UHFFFAOYSA-N 1 2 353.737 3.205 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769078659 723676363 /nfs/dbraw/zinc/67/63/63/723676363.db2.gz UDISUDUHGIDEPE-LLVKDONJSA-N 1 2 371.231 3.132 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769078659 723676365 /nfs/dbraw/zinc/67/63/65/723676365.db2.gz UDISUDUHGIDEPE-LLVKDONJSA-N 1 2 371.231 3.132 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H](OCC4CC4)C3)c2c(Cl)c1 ZINC000777553196 724237998 /nfs/dbraw/zinc/23/79/98/724237998.db2.gz SADFUJXYFYAEET-HNNXBMFYSA-N 1 2 364.833 3.446 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H](OCC4CC4)C3)c2c(Cl)c1 ZINC000777553196 724238001 /nfs/dbraw/zinc/23/80/01/724238001.db2.gz SADFUJXYFYAEET-HNNXBMFYSA-N 1 2 364.833 3.446 20 5 FGBDLO C[C@@H](C[N@H+](C)Cn1nccc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000787245090 725021951 /nfs/dbraw/zinc/02/19/51/725021951.db2.gz JSUYKKGKQAVTOK-JTQLQIEISA-N 1 2 359.213 3.455 20 5 FGBDLO C[C@@H](C[N@@H+](C)Cn1nccc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000787245090 725021952 /nfs/dbraw/zinc/02/19/52/725021952.db2.gz JSUYKKGKQAVTOK-JTQLQIEISA-N 1 2 359.213 3.455 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000811817263 725381464 /nfs/dbraw/zinc/38/14/64/725381464.db2.gz RGNHAWJBCYZSIU-UHFFFAOYSA-N 1 2 360.757 3.295 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000821609876 729101196 /nfs/dbraw/zinc/10/11/96/729101196.db2.gz PQHTXFPTBJJOLW-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831232436 729626873 /nfs/dbraw/zinc/62/68/73/729626873.db2.gz MVRRPZZLLBQPQL-UHFFFAOYSA-N 1 2 353.394 3.221 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831232436 729626875 /nfs/dbraw/zinc/62/68/75/729626875.db2.gz MVRRPZZLLBQPQL-UHFFFAOYSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@@H](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)n1cc[nH+]c1 ZINC000845285134 730827465 /nfs/dbraw/zinc/82/74/65/730827465.db2.gz HCJLQPBECZZZPD-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000859411827 732325312 /nfs/dbraw/zinc/32/53/12/732325312.db2.gz NQRQIKJGWPLTQI-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000859411827 732325314 /nfs/dbraw/zinc/32/53/14/732325314.db2.gz NQRQIKJGWPLTQI-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H](C)C1(F)F ZINC000863272874 732936454 /nfs/dbraw/zinc/93/64/54/732936454.db2.gz DIKOUWSPEBMTQE-RYUDHWBXSA-N 1 2 351.357 3.034 20 5 FGBDLO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@@H](C)C1(F)F ZINC000863272877 732937055 /nfs/dbraw/zinc/93/70/55/732937055.db2.gz DIKOUWSPEBMTQE-VXGBXAGGSA-N 1 2 351.357 3.034 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000883295223 737548342 /nfs/dbraw/zinc/54/83/42/737548342.db2.gz AGLFLWLKSRVYPR-GFCCVEGCSA-N 1 2 351.204 3.179 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000895484739 742418060 /nfs/dbraw/zinc/41/80/60/742418060.db2.gz WFEOVOCKQSQJDQ-UHFFFAOYSA-N 1 2 371.260 3.488 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898497399 742800958 /nfs/dbraw/zinc/80/09/58/742800958.db2.gz CAKMDSALDUCPDS-CYBMUJFWSA-N 1 2 369.462 3.259 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898497399 742800964 /nfs/dbraw/zinc/80/09/64/742800964.db2.gz CAKMDSALDUCPDS-CYBMUJFWSA-N 1 2 369.462 3.259 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000901039695 743217058 /nfs/dbraw/zinc/21/70/58/743217058.db2.gz HJLVADGSECDIEH-IINYFYTJSA-N 1 2 366.780 3.307 20 5 FGBDLO Cc1c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000078670899 210219035 /nfs/dbraw/zinc/21/90/35/210219035.db2.gz AVTBDQUDNIQISC-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO Cc1c(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000078670899 210219041 /nfs/dbraw/zinc/21/90/41/210219041.db2.gz AVTBDQUDNIQISC-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000533800154 503954138 /nfs/dbraw/zinc/95/41/38/503954138.db2.gz CZERSBFVZBIAOP-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000533800154 503954142 /nfs/dbraw/zinc/95/41/42/503954142.db2.gz CZERSBFVZBIAOP-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(O)c1 ZINC000080923115 493792255 /nfs/dbraw/zinc/79/22/55/493792255.db2.gz LNCDZDLLOAOPAT-LLVKDONJSA-N 1 2 363.801 3.413 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923115 493792258 /nfs/dbraw/zinc/79/22/58/493792258.db2.gz LNCDZDLLOAOPAT-LLVKDONJSA-N 1 2 363.801 3.413 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000029660466 493850257 /nfs/dbraw/zinc/85/02/57/493850257.db2.gz JTYLJGYQYVKCDS-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO CSc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029502 493875517 /nfs/dbraw/zinc/87/55/17/493875517.db2.gz IUAZGVOXZRPAKG-QGZVFWFLSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029502 493875519 /nfs/dbraw/zinc/87/55/19/493875519.db2.gz IUAZGVOXZRPAKG-QGZVFWFLSA-N 1 2 371.462 3.446 20 5 FGBDLO O=C(Nc1cccc(-n2cccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049758206 493883065 /nfs/dbraw/zinc/88/30/65/493883065.db2.gz JRPVKCSCUDQHBR-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069536677 493980876 /nfs/dbraw/zinc/98/08/76/493980876.db2.gz DLQWZAZVOLRASS-UHFFFAOYSA-N 1 2 360.439 3.218 20 5 FGBDLO Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000061899813 493999134 /nfs/dbraw/zinc/99/91/34/493999134.db2.gz NNCVJBJHRAYEOT-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052660112 494051503 /nfs/dbraw/zinc/05/15/03/494051503.db2.gz OGRYNAMJMMLMIW-UHFFFAOYSA-N 1 2 353.382 3.465 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359273 494066468 /nfs/dbraw/zinc/06/64/68/494066468.db2.gz GQNZUIIWDKJDKQ-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)o1 ZINC000052994139 494082480 /nfs/dbraw/zinc/08/24/80/494082480.db2.gz FIDGDDPXIXBSAY-UHFFFAOYSA-N 1 2 355.394 3.050 20 5 FGBDLO Cc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)o1 ZINC000052994139 494082483 /nfs/dbraw/zinc/08/24/83/494082483.db2.gz FIDGDDPXIXBSAY-UHFFFAOYSA-N 1 2 355.394 3.050 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000010341958 494151536 /nfs/dbraw/zinc/15/15/36/494151536.db2.gz QHIZIGBMKRGPTF-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000010341958 494151539 /nfs/dbraw/zinc/15/15/39/494151539.db2.gz QHIZIGBMKRGPTF-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000086624333 494156924 /nfs/dbraw/zinc/15/69/24/494156924.db2.gz LUDGZOJHUGPGTR-HNNXBMFYSA-N 1 2 354.410 3.462 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815057 494169706 /nfs/dbraw/zinc/16/97/06/494169706.db2.gz MVIXZFLIKSSYSM-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815057 494169709 /nfs/dbraw/zinc/16/97/09/494169709.db2.gz MVIXZFLIKSSYSM-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000087299676 494191499 /nfs/dbraw/zinc/19/14/99/494191499.db2.gz DYGSSDLOCIQSCX-UHFFFAOYSA-N 1 2 350.378 3.030 20 5 FGBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000072553553 494201031 /nfs/dbraw/zinc/20/10/31/494201031.db2.gz UYZJJCFWVTYKLV-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000072553553 494201033 /nfs/dbraw/zinc/20/10/33/494201033.db2.gz UYZJJCFWVTYKLV-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000042663680 494235065 /nfs/dbraw/zinc/23/50/65/494235065.db2.gz XUHLQKQVFKHJPB-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000065963045 494262399 /nfs/dbraw/zinc/26/23/99/494262399.db2.gz RKZRIIONZTWIIT-UHFFFAOYSA-N 1 2 351.472 3.317 20 5 FGBDLO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000078288057 494270505 /nfs/dbraw/zinc/27/05/05/494270505.db2.gz KFMYPQONANGNGQ-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=C([C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 ZINC000056178668 494466235 /nfs/dbraw/zinc/46/62/35/494466235.db2.gz CFZDZYAOHLFBGL-LJQANCHMSA-N 1 2 353.422 3.438 20 5 FGBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000045988777 494484434 /nfs/dbraw/zinc/48/44/34/494484434.db2.gz GKMRSFVUTYGODG-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021917736 494510516 /nfs/dbraw/zinc/51/05/16/494510516.db2.gz OVIXAQOAHONBIM-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021917736 494510519 /nfs/dbraw/zinc/51/05/19/494510519.db2.gz OVIXAQOAHONBIM-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046342293 494518463 /nfs/dbraw/zinc/51/84/63/494518463.db2.gz CUVIGMPIGSQBQQ-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046342293 494518464 /nfs/dbraw/zinc/51/84/64/494518464.db2.gz CUVIGMPIGSQBQQ-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046599544 494539604 /nfs/dbraw/zinc/53/96/04/494539604.db2.gz OSEUMWXUJLKAJI-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046599544 494539607 /nfs/dbraw/zinc/53/96/07/494539607.db2.gz OSEUMWXUJLKAJI-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000056679627 494545451 /nfs/dbraw/zinc/54/54/51/494545451.db2.gz RWLLWJPIRUPWQP-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC000131326661 494584216 /nfs/dbraw/zinc/58/42/16/494584216.db2.gz UKZIHJJJVCFTNZ-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC000131326661 494584224 /nfs/dbraw/zinc/58/42/24/494584224.db2.gz UKZIHJJJVCFTNZ-CYBMUJFWSA-N 1 2 373.840 3.484 20 5 FGBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc(Cl)c1 ZINC000107699928 494587680 /nfs/dbraw/zinc/58/76/80/494587680.db2.gz BSFHTNCXEGOIHD-UHFFFAOYSA-N 1 2 374.828 3.009 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000024239118 494614421 /nfs/dbraw/zinc/61/44/21/494614421.db2.gz UJSLYGABMFLWJT-INIZCTEOSA-N 1 2 369.356 3.379 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000092601369 494684416 /nfs/dbraw/zinc/68/44/16/494684416.db2.gz VSVIBINYMDVWBP-BLLLJJGKSA-N 1 2 356.426 3.440 20 5 FGBDLO O=C(C[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000126363205 494724800 /nfs/dbraw/zinc/72/48/00/494724800.db2.gz TZIYYGPWFPILOI-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO O=C(C[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000126363205 494724810 /nfs/dbraw/zinc/72/48/10/494724810.db2.gz TZIYYGPWFPILOI-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000108638832 494753011 /nfs/dbraw/zinc/75/30/11/494753011.db2.gz SQNCAEAAZSBNQI-UHFFFAOYSA-N 1 2 372.406 3.105 20 5 FGBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041235 494766831 /nfs/dbraw/zinc/76/68/31/494766831.db2.gz QQKJOQTYMNMMOG-RISCZKNCSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041235 494766836 /nfs/dbraw/zinc/76/68/36/494766836.db2.gz QQKJOQTYMNMMOG-RISCZKNCSA-N 1 2 366.801 3.090 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000121500268 494783084 /nfs/dbraw/zinc/78/30/84/494783084.db2.gz HDQCQUGOZNKEKJ-CQSZACIVSA-N 1 2 374.466 3.114 20 5 FGBDLO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000116454535 494790026 /nfs/dbraw/zinc/79/00/26/494790026.db2.gz KMUNGFAGAWFMKM-CQSZACIVSA-N 1 2 369.421 3.256 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347451 494820260 /nfs/dbraw/zinc/82/02/60/494820260.db2.gz IVWWDJZGUVCURH-OAHLLOKOSA-N 1 2 355.438 3.466 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347451 494820262 /nfs/dbraw/zinc/82/02/62/494820262.db2.gz IVWWDJZGUVCURH-OAHLLOKOSA-N 1 2 355.438 3.466 20 5 FGBDLO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026616685 494832911 /nfs/dbraw/zinc/83/29/11/494832911.db2.gz IKJMTKMQWUPMNG-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000093224092 494847163 /nfs/dbraw/zinc/84/71/63/494847163.db2.gz GQSWRVJVLOUYHF-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000093224092 494847169 /nfs/dbraw/zinc/84/71/69/494847169.db2.gz GQSWRVJVLOUYHF-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000093534256 494899058 /nfs/dbraw/zinc/89/90/58/494899058.db2.gz NRGZLHIFEDRUAY-LLVKDONJSA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000093534256 494899062 /nfs/dbraw/zinc/89/90/62/494899062.db2.gz NRGZLHIFEDRUAY-LLVKDONJSA-N 1 2 367.331 3.090 20 5 FGBDLO CCOC(=O)c1ccnc(NCc2ccc(N(CC)CC)[nH+]c2)c1[N+](=O)[O-] ZINC000133387574 495008317 /nfs/dbraw/zinc/00/83/17/495008317.db2.gz UTQAFLPVMJIFSR-UHFFFAOYSA-N 1 2 373.413 3.020 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000123284085 495108748 /nfs/dbraw/zinc/10/87/48/495108748.db2.gz HOPSDNITZBGKMB-UONOGXRCSA-N 1 2 352.398 3.291 20 5 FGBDLO CC(C)(C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)n1cc([N+](=O)[O-])cn1 ZINC000102345906 495130756 /nfs/dbraw/zinc/13/07/56/495130756.db2.gz BCLNVPOIEYXSLO-UHFFFAOYSA-N 1 2 368.397 3.309 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000128691444 495135722 /nfs/dbraw/zinc/13/57/22/495135722.db2.gz QEGQSZLHVADTDF-UHFFFAOYSA-N 1 2 373.478 3.106 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000135041279 495242774 /nfs/dbraw/zinc/24/27/74/495242774.db2.gz XIGASCQHYQSBOG-UHFFFAOYSA-N 1 2 374.466 3.212 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103975141 495263425 /nfs/dbraw/zinc/26/34/25/495263425.db2.gz ZGHRIDDQYVJAGT-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240028 495267681 /nfs/dbraw/zinc/26/76/81/495267681.db2.gz DWOGKFVUDVHDHN-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240028 495267684 /nfs/dbraw/zinc/26/76/84/495267684.db2.gz DWOGKFVUDVHDHN-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000568772634 505774321 /nfs/dbraw/zinc/77/43/21/505774321.db2.gz YIBSYLWGNQBRQI-OAHLLOKOSA-N 1 2 372.322 3.418 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000568772634 505774328 /nfs/dbraw/zinc/77/43/28/505774328.db2.gz YIBSYLWGNQBRQI-OAHLLOKOSA-N 1 2 372.322 3.418 20 5 FGBDLO CC[C@]1(C)C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135641308 495322444 /nfs/dbraw/zinc/32/24/44/495322444.db2.gz GAABHHVGQJXAEC-MRXNPFEDSA-N 1 2 360.357 3.206 20 5 FGBDLO CC[C@]1(C)C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135641308 495322448 /nfs/dbraw/zinc/32/24/48/495322448.db2.gz GAABHHVGQJXAEC-MRXNPFEDSA-N 1 2 360.357 3.206 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120219026 495329757 /nfs/dbraw/zinc/32/97/57/495329757.db2.gz SHQSNAGXBVRNGD-HNNXBMFYSA-N 1 2 356.382 3.292 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120344673 495356994 /nfs/dbraw/zinc/35/69/94/495356994.db2.gz QSVLFPRPSZHKJX-ZDUSSCGKSA-N 1 2 360.439 3.136 20 5 FGBDLO CCc1oc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)OC ZINC000580529940 505780037 /nfs/dbraw/zinc/78/00/37/505780037.db2.gz QTJMZDDHMJTTDK-UHFFFAOYSA-N 1 2 352.774 3.480 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000115161489 495469376 /nfs/dbraw/zinc/46/93/76/495469376.db2.gz YGEVUIPZIZAYRS-CYBMUJFWSA-N 1 2 360.439 3.089 20 5 FGBDLO Cc1sc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1[N+](=O)[O-] ZINC000115413524 495501036 /nfs/dbraw/zinc/50/10/36/495501036.db2.gz UNEFXBWPVNCCAR-CYBMUJFWSA-N 1 2 369.393 3.276 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131258278 495513835 /nfs/dbraw/zinc/51/38/35/495513835.db2.gz BNFQEUMBGUWQTR-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131258278 495513836 /nfs/dbraw/zinc/51/38/36/495513836.db2.gz BNFQEUMBGUWQTR-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173472502 495545955 /nfs/dbraw/zinc/54/59/55/495545955.db2.gz QQYVWHAPBCMVHB-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173472502 495545958 /nfs/dbraw/zinc/54/59/58/495545958.db2.gz QQYVWHAPBCMVHB-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)n1 ZINC000176226185 495552871 /nfs/dbraw/zinc/55/28/71/495552871.db2.gz UHAFQTWGKBXZSE-OAHLLOKOSA-N 1 2 368.397 3.069 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)n1 ZINC000176226185 495552876 /nfs/dbraw/zinc/55/28/76/495552876.db2.gz UHAFQTWGKBXZSE-OAHLLOKOSA-N 1 2 368.397 3.069 20 5 FGBDLO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179503029 495617919 /nfs/dbraw/zinc/61/79/19/495617919.db2.gz ZUBUUCVEMKHNAX-AWEZNQCLSA-N 1 2 369.421 3.256 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179518734 495626141 /nfs/dbraw/zinc/62/61/41/495626141.db2.gz RPSKUGIEJWNZGG-GFCCVEGCSA-N 1 2 368.397 3.111 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179518734 495626144 /nfs/dbraw/zinc/62/61/44/495626144.db2.gz RPSKUGIEJWNZGG-GFCCVEGCSA-N 1 2 368.397 3.111 20 5 FGBDLO O=C1CCCN1C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000179562547 495641348 /nfs/dbraw/zinc/64/13/48/495641348.db2.gz YQMAILMBLNQJLF-KRWDZBQOSA-N 1 2 357.385 3.187 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000185879438 495762585 /nfs/dbraw/zinc/76/25/85/495762585.db2.gz IVLZLFWZOHMTPG-UXBLZVDNSA-N 1 2 365.433 3.374 20 5 FGBDLO CC(C)Cc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174249033 495881654 /nfs/dbraw/zinc/88/16/54/495881654.db2.gz VYJLFDHLWVJJTJ-UHFFFAOYSA-N 1 2 360.414 3.220 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183231401 495889771 /nfs/dbraw/zinc/88/97/71/495889771.db2.gz XLEYWDAZYMWTIR-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183231401 495889773 /nfs/dbraw/zinc/88/97/73/495889773.db2.gz XLEYWDAZYMWTIR-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000577913012 505816984 /nfs/dbraw/zinc/81/69/84/505816984.db2.gz UQKFBAWKSCQJEV-UHFFFAOYSA-N 1 2 358.304 3.240 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000171755647 496023637 /nfs/dbraw/zinc/02/36/37/496023637.db2.gz DOWDLWVCSCZUOJ-UHFFFAOYSA-N 1 2 351.366 3.034 20 5 FGBDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000180561088 496045095 /nfs/dbraw/zinc/04/50/95/496045095.db2.gz WDCLHVAORCEBQR-AWEZNQCLSA-N 1 2 373.409 3.166 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177594474 496125651 /nfs/dbraw/zinc/12/56/51/496125651.db2.gz DEKGHQLSUPNADE-ZBFHGGJFSA-N 1 2 357.414 3.035 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169816 496193980 /nfs/dbraw/zinc/19/39/80/496193980.db2.gz DQRZVEHHOUFFEM-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169816 496193984 /nfs/dbraw/zinc/19/39/84/496193984.db2.gz DQRZVEHHOUFFEM-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177796529 496199373 /nfs/dbraw/zinc/19/93/73/496199373.db2.gz ZSTLUZMVMQYNEV-IBGZPJMESA-N 1 2 369.396 3.179 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175141740 496263491 /nfs/dbraw/zinc/26/34/91/496263491.db2.gz LKXGCLNDSBHVBR-SFHVURJKSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175141740 496263493 /nfs/dbraw/zinc/26/34/93/496263493.db2.gz LKXGCLNDSBHVBR-SFHVURJKSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152908354 496293656 /nfs/dbraw/zinc/29/36/56/496293656.db2.gz RDIRRFSDOUZLTA-UHFFFAOYSA-N 1 2 361.442 3.267 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152908354 496293657 /nfs/dbraw/zinc/29/36/57/496293657.db2.gz RDIRRFSDOUZLTA-UHFFFAOYSA-N 1 2 361.442 3.267 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3cccs3)CC2)c([N+](=O)[O-])cc1F ZINC000184235181 496298353 /nfs/dbraw/zinc/29/83/53/496298353.db2.gz JRRRWYAUIQHMFS-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO Cc1csc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000156739853 496324602 /nfs/dbraw/zinc/32/46/02/496324602.db2.gz BFYKKZWRUFIYLP-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO CCc1c(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[nH]c(C)c1C(C)=O ZINC000153058704 496339333 /nfs/dbraw/zinc/33/93/33/496339333.db2.gz ZFMONXBOXWBTEA-UHFFFAOYSA-N 1 2 369.421 3.237 20 5 FGBDLO CCc1c(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[nH]c(C)c1C(C)=O ZINC000153058704 496339339 /nfs/dbraw/zinc/33/93/39/496339339.db2.gz ZFMONXBOXWBTEA-UHFFFAOYSA-N 1 2 369.421 3.237 20 5 FGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178189965 496362943 /nfs/dbraw/zinc/36/29/43/496362943.db2.gz PLCGZVHNCSCUIN-UHFFFAOYSA-N 1 2 358.379 3.094 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162542521 496370460 /nfs/dbraw/zinc/37/04/60/496370460.db2.gz ARKHKSPTUAHGDA-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])cc1F ZINC000184408634 496371837 /nfs/dbraw/zinc/37/18/37/496371837.db2.gz DWJAUMANPMXAIT-LBPRGKRZSA-N 1 2 371.372 3.174 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCC(F)(F)CC1 ZINC000580813511 505843988 /nfs/dbraw/zinc/84/39/88/505843988.db2.gz CNSNCGGEUFEDFE-UHFFFAOYSA-N 1 2 355.385 3.417 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000153534288 496488364 /nfs/dbraw/zinc/48/83/64/496488364.db2.gz UPSXUCIOEGXTGU-HNNXBMFYSA-N 1 2 362.817 3.129 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000181779663 496541469 /nfs/dbraw/zinc/54/14/69/496541469.db2.gz RTVZSWIWTUJCIQ-HNNXBMFYSA-N 1 2 368.842 3.124 20 5 FGBDLO O=C(NCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181786763 496544551 /nfs/dbraw/zinc/54/45/51/496544551.db2.gz XQUBIXWQAHYPHS-UHFFFAOYSA-N 1 2 357.292 3.022 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181792115 496546397 /nfs/dbraw/zinc/54/63/97/496546397.db2.gz NLICCTNRWTVKAM-UHFFFAOYSA-N 1 2 371.319 3.364 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000158502735 496715548 /nfs/dbraw/zinc/71/55/48/496715548.db2.gz DOAZMSHNDMTVBJ-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000158502735 496715550 /nfs/dbraw/zinc/71/55/50/496715550.db2.gz DOAZMSHNDMTVBJ-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185275605 496722949 /nfs/dbraw/zinc/72/29/49/496722949.db2.gz HOMKQUVEIFWAJW-MLGOLLRUSA-N 1 2 360.414 3.410 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000277445568 496776211 /nfs/dbraw/zinc/77/62/11/496776211.db2.gz FOHMZSZPVADTND-UHFFFAOYSA-N 1 2 374.441 3.061 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000247111301 496782131 /nfs/dbraw/zinc/78/21/31/496782131.db2.gz YAQPVHXHXWXLSL-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000247111301 496782137 /nfs/dbraw/zinc/78/21/37/496782137.db2.gz YAQPVHXHXWXLSL-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000195157835 496837048 /nfs/dbraw/zinc/83/70/48/496837048.db2.gz TUSNRGXESVCSTF-UHFFFAOYSA-N 1 2 354.472 3.117 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nncn1C ZINC000264382603 496887617 /nfs/dbraw/zinc/88/76/17/496887617.db2.gz OZQAHIKOZNPRJU-SNVBAGLBSA-N 1 2 361.789 3.488 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000277942380 496944397 /nfs/dbraw/zinc/94/43/97/496944397.db2.gz DZWVBCUNSOBYST-SMDDNHRTSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000277942380 496944401 /nfs/dbraw/zinc/94/44/01/496944401.db2.gz DZWVBCUNSOBYST-SMDDNHRTSA-N 1 2 364.789 3.224 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265132854 497054634 /nfs/dbraw/zinc/05/46/34/497054634.db2.gz HIGNJVISGMMYMB-OAHLLOKOSA-N 1 2 369.425 3.209 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000265215440 497073595 /nfs/dbraw/zinc/07/35/95/497073595.db2.gz MOCVYHVNQINACJ-UHFFFAOYSA-N 1 2 367.308 3.415 20 5 FGBDLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000192633863 497169569 /nfs/dbraw/zinc/16/95/69/497169569.db2.gz MUUCZYFYCZPQTL-UHFFFAOYSA-N 1 2 361.829 3.039 20 5 FGBDLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000192633863 497169576 /nfs/dbraw/zinc/16/95/76/497169576.db2.gz MUUCZYFYCZPQTL-UHFFFAOYSA-N 1 2 361.829 3.039 20 5 FGBDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000266536499 497365991 /nfs/dbraw/zinc/36/59/91/497365991.db2.gz OJXGJNJPVGHUPF-BLLLJJGKSA-N 1 2 358.394 3.222 20 5 FGBDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000266536499 497365993 /nfs/dbraw/zinc/36/59/93/497365993.db2.gz OJXGJNJPVGHUPF-BLLLJJGKSA-N 1 2 358.394 3.222 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000245452417 497414730 /nfs/dbraw/zinc/41/47/30/497414730.db2.gz QHTVAWQZBDGDJN-PWSUYJOCSA-N 1 2 357.863 3.403 20 5 FGBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000245452417 497414732 /nfs/dbraw/zinc/41/47/32/497414732.db2.gz QHTVAWQZBDGDJN-PWSUYJOCSA-N 1 2 357.863 3.403 20 5 FGBDLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271674544 497415548 /nfs/dbraw/zinc/41/55/48/497415548.db2.gz BOTGTQCWIPDRBQ-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245564247 497458528 /nfs/dbraw/zinc/45/85/28/497458528.db2.gz QINBVXGFQHCZHM-DOTOQJQBSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245564247 497458533 /nfs/dbraw/zinc/45/85/33/497458533.db2.gz QINBVXGFQHCZHM-DOTOQJQBSA-N 1 2 355.394 3.098 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245676928 497498636 /nfs/dbraw/zinc/49/86/36/497498636.db2.gz LGCAJRSCWRJGRJ-DZGCQCFKSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245676928 497498641 /nfs/dbraw/zinc/49/86/41/497498641.db2.gz LGCAJRSCWRJGRJ-DZGCQCFKSA-N 1 2 367.377 3.110 20 5 FGBDLO Cc1nn(C)c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000194085678 497568087 /nfs/dbraw/zinc/56/80/87/497568087.db2.gz ZPODNZDGBDIMJH-UHFFFAOYSA-N 1 2 356.386 3.063 20 5 FGBDLO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1[nH+]ccn1CC(F)(F)F ZINC000267576554 497580839 /nfs/dbraw/zinc/58/08/39/497580839.db2.gz FKMHYCDTDRVENF-UHFFFAOYSA-N 1 2 369.303 3.127 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268059414 497670284 /nfs/dbraw/zinc/67/02/84/497670284.db2.gz SSCJXMKSVWUTPU-ZFWWWQNUSA-N 1 2 357.414 3.277 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000364482067 497979945 /nfs/dbraw/zinc/97/99/45/497979945.db2.gz KABGXARIHZDVEF-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000364482067 497979948 /nfs/dbraw/zinc/97/99/48/497979948.db2.gz KABGXARIHZDVEF-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000289100768 498016904 /nfs/dbraw/zinc/01/69/04/498016904.db2.gz OQTZTXAVNLCNKP-SFHVURJKSA-N 1 2 368.393 3.228 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364478 498063845 /nfs/dbraw/zinc/06/38/45/498063845.db2.gz QTSWGUWVONNNTN-OQPBUACISA-N 1 2 354.275 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364478 498063838 /nfs/dbraw/zinc/06/38/38/498063838.db2.gz QTSWGUWVONNNTN-OQPBUACISA-N 1 2 354.275 3.008 20 5 FGBDLO COc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301341452 498064641 /nfs/dbraw/zinc/06/46/41/498064641.db2.gz GCLWKOJTGHWKTA-ZIAGYGMSSA-N 1 2 372.425 3.224 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000292899735 498190297 /nfs/dbraw/zinc/19/02/97/498190297.db2.gz JXNVGWVFOQWSSX-SNVBAGLBSA-N 1 2 353.220 3.250 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000301723982 498238984 /nfs/dbraw/zinc/23/89/84/498238984.db2.gz SRIUCKXFIPBMDS-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1OC(F)F ZINC000301787277 498264756 /nfs/dbraw/zinc/26/47/56/498264756.db2.gz WVFBFCMVQWGFHZ-GFCCVEGCSA-N 1 2 350.325 3.282 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000360522445 498280962 /nfs/dbraw/zinc/28/09/62/498280962.db2.gz IALFMAVDTJRAQK-UHFFFAOYSA-N 1 2 372.450 3.111 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000289839570 498318441 /nfs/dbraw/zinc/31/84/41/498318441.db2.gz PUGWZJSQRVVRRC-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000289839570 498318446 /nfs/dbraw/zinc/31/84/46/498318446.db2.gz PUGWZJSQRVVRRC-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000281923365 498320937 /nfs/dbraw/zinc/32/09/37/498320937.db2.gz JZOQIJFAXLMZKB-UHFFFAOYSA-N 1 2 359.386 3.059 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000331510920 498355302 /nfs/dbraw/zinc/35/53/02/498355302.db2.gz CDWWVALXOOHPHT-GFCCVEGCSA-N 1 2 360.418 3.025 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1Cl ZINC000286435511 498395584 /nfs/dbraw/zinc/39/55/84/498395584.db2.gz JAWVJJGMWYHXMY-QWRGUYRKSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1Cl ZINC000286435511 498395589 /nfs/dbraw/zinc/39/55/89/498395589.db2.gz JAWVJJGMWYHXMY-QWRGUYRKSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1Cl ZINC000286435508 498395925 /nfs/dbraw/zinc/39/59/25/498395925.db2.gz JAWVJJGMWYHXMY-GHMZBOCLSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1Cl ZINC000286435508 498395921 /nfs/dbraw/zinc/39/59/21/498395921.db2.gz JAWVJJGMWYHXMY-GHMZBOCLSA-N 1 2 352.740 3.241 20 5 FGBDLO CC(C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC000572731806 506039194 /nfs/dbraw/zinc/03/91/94/506039194.db2.gz QLIBHHDBXPUFPU-UHFFFAOYSA-N 1 2 361.364 3.427 20 5 FGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000302206682 498442791 /nfs/dbraw/zinc/44/27/91/498442791.db2.gz DVVSUQWZBCQBIP-BXUZGUMPSA-N 1 2 352.341 3.480 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297604453 498508885 /nfs/dbraw/zinc/50/88/85/498508885.db2.gz VFNQEWGLTOPFOE-AWEZNQCLSA-N 1 2 352.398 3.020 20 5 FGBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000581701382 506047473 /nfs/dbraw/zinc/04/74/73/506047473.db2.gz SKGOXNXPDVCLGN-JSGCOSHPSA-N 1 2 352.341 3.055 20 5 FGBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000581701382 506047476 /nfs/dbraw/zinc/04/74/76/506047476.db2.gz SKGOXNXPDVCLGN-JSGCOSHPSA-N 1 2 352.341 3.055 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)on1 ZINC000302653833 498524030 /nfs/dbraw/zinc/52/40/30/498524030.db2.gz HCRSXFNZQYCJPU-UHFFFAOYSA-N 1 2 350.806 3.175 20 5 FGBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000293919871 498533264 /nfs/dbraw/zinc/53/32/64/498533264.db2.gz MNHSASIVLWBNHW-QGZVFWFLSA-N 1 2 362.357 3.188 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540399 498550663 /nfs/dbraw/zinc/55/06/63/498550663.db2.gz VXICHHDASMFROP-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540399 498550673 /nfs/dbraw/zinc/55/06/73/498550673.db2.gz VXICHHDASMFROP-AWEZNQCLSA-N 1 2 362.430 3.386 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c[nH+]1 ZINC000294220538 498624344 /nfs/dbraw/zinc/62/43/44/498624344.db2.gz VDEKDKACFNSXLO-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363242287 498722624 /nfs/dbraw/zinc/72/26/24/498722624.db2.gz HYWAAJLSJOHNFG-MRXNPFEDSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363242287 498722627 /nfs/dbraw/zinc/72/26/27/498722627.db2.gz HYWAAJLSJOHNFG-MRXNPFEDSA-N 1 2 359.430 3.058 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000290957271 498736956 /nfs/dbraw/zinc/73/69/56/498736956.db2.gz VWMOJGMQXNSGOL-MRVPVSSYSA-N 1 2 356.213 3.290 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1F ZINC000282996487 498739841 /nfs/dbraw/zinc/73/98/41/498739841.db2.gz FIYJKSGTIIGHHR-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC ZINC000294777280 498801801 /nfs/dbraw/zinc/80/18/01/498801801.db2.gz KTLNEMHYQRBTEJ-UHFFFAOYSA-N 1 2 371.315 3.316 20 5 FGBDLO O=C(CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000294805106 498811493 /nfs/dbraw/zinc/81/14/93/498811493.db2.gz UQKXLYQHWGWHMX-HNNXBMFYSA-N 1 2 356.382 3.035 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000288187745 498963524 /nfs/dbraw/zinc/96/35/24/498963524.db2.gz RQYFQEHRIUBDIA-UHFFFAOYSA-N 1 2 354.414 3.380 20 5 FGBDLO CC(C)(NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000291707497 499042814 /nfs/dbraw/zinc/04/28/14/499042814.db2.gz PPLUEOHMMNMODP-UHFFFAOYSA-N 1 2 367.409 3.020 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818489 499107708 /nfs/dbraw/zinc/10/77/08/499107708.db2.gz CBEBGVLILRYIFI-IAQYHMDHSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818489 499107712 /nfs/dbraw/zinc/10/77/12/499107712.db2.gz CBEBGVLILRYIFI-IAQYHMDHSA-N 1 2 369.849 3.322 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000371377792 499317211 /nfs/dbraw/zinc/31/72/11/499317211.db2.gz FFNHAUVCZDFPLK-LLVKDONJSA-N 1 2 368.340 3.267 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000371377792 499317213 /nfs/dbraw/zinc/31/72/13/499317213.db2.gz FFNHAUVCZDFPLK-LLVKDONJSA-N 1 2 368.340 3.267 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000369009053 499356575 /nfs/dbraw/zinc/35/65/75/499356575.db2.gz KBCBERKZQGQXMM-GFCCVEGCSA-N 1 2 365.777 3.190 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000369009053 499356577 /nfs/dbraw/zinc/35/65/77/499356577.db2.gz KBCBERKZQGQXMM-GFCCVEGCSA-N 1 2 365.777 3.190 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000369361011 499395615 /nfs/dbraw/zinc/39/56/15/499395615.db2.gz ZVIKCZSXHRIQNI-GFCCVEGCSA-N 1 2 360.439 3.070 20 5 FGBDLO CC[C@@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000372252178 499413425 /nfs/dbraw/zinc/41/34/25/499413425.db2.gz RDPARBJEHIADNW-NVXWUHKLSA-N 1 2 371.441 3.428 20 5 FGBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000375942717 499570254 /nfs/dbraw/zinc/57/02/54/499570254.db2.gz VZXCJNIEDGZRHI-LLVKDONJSA-N 1 2 365.187 3.139 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000376692218 499629682 /nfs/dbraw/zinc/62/96/82/499629682.db2.gz WIABIHLLWFHNIY-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000376692218 499629684 /nfs/dbraw/zinc/62/96/84/499629684.db2.gz WIABIHLLWFHNIY-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC000377964854 499751816 /nfs/dbraw/zinc/75/18/16/499751816.db2.gz WHUPXXUEAOMOPP-PWSUYJOCSA-N 1 2 369.347 3.162 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378090919 499758564 /nfs/dbraw/zinc/75/85/64/499758564.db2.gz UUNJRBYLLFMONH-LLVKDONJSA-N 1 2 354.288 3.061 20 5 FGBDLO CC(C)c1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414503788 499800117 /nfs/dbraw/zinc/80/01/17/499800117.db2.gz JBXGPVBGSVTJSL-UHFFFAOYSA-N 1 2 362.451 3.412 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC000411978733 499808494 /nfs/dbraw/zinc/80/84/94/499808494.db2.gz HSCLJTNGMFDISA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC000411978733 499808496 /nfs/dbraw/zinc/80/84/96/499808496.db2.gz HSCLJTNGMFDISA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421188867 499987611 /nfs/dbraw/zinc/98/76/11/499987611.db2.gz XPDQLVGPCMDKEI-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)CCCC2 ZINC000417348829 500045964 /nfs/dbraw/zinc/04/59/64/500045964.db2.gz ZHINOQDPUAAFKO-SFHVURJKSA-N 1 2 364.409 3.128 20 5 FGBDLO COc1ccc(C[NH+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000429392407 500067635 /nfs/dbraw/zinc/06/76/35/500067635.db2.gz FWPUWPQVTHZEEI-ZIAGYGMSSA-N 1 2 363.458 3.071 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429903389 500164883 /nfs/dbraw/zinc/16/48/83/500164883.db2.gz ARKRRIOQIDYPTN-UHFFFAOYSA-N 1 2 373.478 3.278 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000430504467 500247748 /nfs/dbraw/zinc/24/77/48/500247748.db2.gz HCYQAWINNYYLPY-UHFFFAOYSA-N 1 2 369.425 3.387 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3[nH+]ccc4ccc(F)cc43)C2)nc1 ZINC000428163098 500475604 /nfs/dbraw/zinc/47/56/04/500475604.db2.gz XTOBJTMYXSCFLL-AWEZNQCLSA-N 1 2 353.357 3.368 20 5 FGBDLO O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437409813 500641756 /nfs/dbraw/zinc/64/17/56/500641756.db2.gz SAUKYNFNLNPKRT-QAQDUYKDSA-N 1 2 362.389 3.457 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437577000 500663112 /nfs/dbraw/zinc/66/31/12/500663112.db2.gz CWZXOISEMRQPKP-SUMWQHHRSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437577000 500663115 /nfs/dbraw/zinc/66/31/15/500663115.db2.gz CWZXOISEMRQPKP-SUMWQHHRSA-N 1 2 355.394 3.377 20 5 FGBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000447802115 500664971 /nfs/dbraw/zinc/66/49/71/500664971.db2.gz HIMBXYVVQATXBP-MRXNPFEDSA-N 1 2 371.437 3.306 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000447811429 500667309 /nfs/dbraw/zinc/66/73/09/500667309.db2.gz NRVPDZBJLBJGAJ-RBUKOAKNSA-N 1 2 367.449 3.470 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC[C@H]1CCCCO1 ZINC000447815382 500668355 /nfs/dbraw/zinc/66/83/55/500668355.db2.gz FOJRBHVMYKFAJM-QGZVFWFLSA-N 1 2 363.458 3.188 20 5 FGBDLO CSCCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813546 500668519 /nfs/dbraw/zinc/66/85/19/500668519.db2.gz WPEAVDPPXZWRHQ-UHFFFAOYSA-N 1 2 353.488 3.372 20 5 FGBDLO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c[nH+]c1N1CCCC[C@H]1C ZINC000445157991 500950379 /nfs/dbraw/zinc/95/03/79/500950379.db2.gz LATORSYEPMUSNW-GFCCVEGCSA-N 1 2 371.397 3.030 20 5 FGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000449250208 500957184 /nfs/dbraw/zinc/95/71/84/500957184.db2.gz OKCADLUDFXDHKT-CQSZACIVSA-N 1 2 367.409 3.013 20 5 FGBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000440638911 501032015 /nfs/dbraw/zinc/03/20/15/501032015.db2.gz OUUUZMQZSGTMNZ-KRWDZBQOSA-N 1 2 369.849 3.148 20 5 FGBDLO CCCc1ncc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000449613043 501043686 /nfs/dbraw/zinc/04/36/86/501043686.db2.gz QLCGRJLVVUTOBU-QGZVFWFLSA-N 1 2 355.398 3.148 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000436416815 501123553 /nfs/dbraw/zinc/12/35/53/501123553.db2.gz YWKAYUFCCWEYKZ-UHFFFAOYSA-N 1 2 369.225 3.380 20 5 FGBDLO CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450050985 501165261 /nfs/dbraw/zinc/16/52/61/501165261.db2.gz HGWTZJBHIFFKKM-QFBILLFUSA-N 1 2 372.425 3.056 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450833428 501215484 /nfs/dbraw/zinc/21/54/84/501215484.db2.gz SXBCJADSMHEKSR-QPUJVOFHSA-N 1 2 350.762 3.349 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436868021 501224343 /nfs/dbraw/zinc/22/43/43/501224343.db2.gz GEUUJYOHIRYNGZ-GFCCVEGCSA-N 1 2 366.377 3.286 20 5 FGBDLO CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548095 501319663 /nfs/dbraw/zinc/31/96/63/501319663.db2.gz MQUSRXXRABMBKP-HNNXBMFYSA-N 1 2 373.409 3.448 20 5 FGBDLO CCOC(=O)c1c(C)onc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548095 501319666 /nfs/dbraw/zinc/31/96/66/501319666.db2.gz MQUSRXXRABMBKP-HNNXBMFYSA-N 1 2 373.409 3.448 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000602678367 506257864 /nfs/dbraw/zinc/25/78/64/506257864.db2.gz VZJPOSLUWNDTSL-NSHDSACASA-N 1 2 354.275 3.063 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000602678367 506257868 /nfs/dbraw/zinc/25/78/68/506257868.db2.gz VZJPOSLUWNDTSL-NSHDSACASA-N 1 2 354.275 3.063 20 5 FGBDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000459559497 501676574 /nfs/dbraw/zinc/67/65/74/501676574.db2.gz KMVZRDOOKSBQPT-GOSISDBHSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000459559497 501676575 /nfs/dbraw/zinc/67/65/75/501676575.db2.gz KMVZRDOOKSBQPT-GOSISDBHSA-N 1 2 360.414 3.025 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)c2ncnc3ccc([N+](=O)[O-])cc32)c1C ZINC000611710836 506267582 /nfs/dbraw/zinc/26/75/82/506267582.db2.gz YXKNCVROVVBDBE-UHFFFAOYSA-N 1 2 353.382 3.195 20 5 FGBDLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1O ZINC000459693247 501699889 /nfs/dbraw/zinc/69/98/89/501699889.db2.gz KTFUOUNDLLMQNL-HIFRSBDPSA-N 1 2 352.387 3.158 20 5 FGBDLO CCOC(=O)c1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000467782798 501871096 /nfs/dbraw/zinc/87/10/96/501871096.db2.gz BEIPUBIZIWCELP-UHFFFAOYSA-N 1 2 373.409 3.428 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCCN(CC(F)(F)F)CC1 ZINC000599022060 506282091 /nfs/dbraw/zinc/28/20/91/506282091.db2.gz ILIJHQWHNONHFH-UHFFFAOYSA-N 1 2 354.332 3.217 20 5 FGBDLO CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000464357926 501966535 /nfs/dbraw/zinc/96/65/35/501966535.db2.gz UIFKFRBVFCGMDZ-SJORKVTESA-N 1 2 372.425 3.102 20 5 FGBDLO COC1CCC(C)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000471264866 501972422 /nfs/dbraw/zinc/97/24/22/501972422.db2.gz OEMOXQMAPZVEAZ-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO CN(CC(=O)N(C)C1CCCCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043415 506290453 /nfs/dbraw/zinc/29/04/53/506290453.db2.gz LCMZMTPEGJXMNE-UHFFFAOYSA-N 1 2 356.426 3.370 20 5 FGBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000471817100 502144657 /nfs/dbraw/zinc/14/46/57/502144657.db2.gz RELZILBMXCNYEU-UHFFFAOYSA-N 1 2 362.382 3.248 20 5 FGBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000471817100 502144659 /nfs/dbraw/zinc/14/46/59/502144659.db2.gz RELZILBMXCNYEU-UHFFFAOYSA-N 1 2 362.382 3.248 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479399398 502246974 /nfs/dbraw/zinc/24/69/74/502246974.db2.gz WOJHIUQTIWNKOX-UHFFFAOYSA-N 1 2 354.341 3.233 20 5 FGBDLO Cc1cc[nH+]c(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)c1 ZINC000483521464 502419281 /nfs/dbraw/zinc/41/92/81/502419281.db2.gz YDQMVXJLFMOYQQ-UHFFFAOYSA-N 1 2 370.453 3.408 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000480068408 502463345 /nfs/dbraw/zinc/46/33/45/502463345.db2.gz CVEHXYOWGSURCG-UHFFFAOYSA-N 1 2 372.425 3.265 20 5 FGBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000480082449 502467690 /nfs/dbraw/zinc/46/76/90/502467690.db2.gz DOEZNVDNSBNYIF-UHFFFAOYSA-N 1 2 368.397 3.354 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000599085249 506316092 /nfs/dbraw/zinc/31/60/92/506316092.db2.gz NNMDOQZTJHDIMK-BHYGNILZSA-N 1 2 354.410 3.202 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487633197 502494065 /nfs/dbraw/zinc/49/40/65/502494065.db2.gz KWUJHQKXLDNLTN-UHFFFAOYSA-N 1 2 368.418 3.410 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602881506 506335785 /nfs/dbraw/zinc/33/57/85/506335785.db2.gz QWMHXVMBMRXMKP-CYBMUJFWSA-N 1 2 351.204 3.418 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602881506 506335789 /nfs/dbraw/zinc/33/57/89/506335789.db2.gz QWMHXVMBMRXMKP-CYBMUJFWSA-N 1 2 351.204 3.418 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000504974737 502833659 /nfs/dbraw/zinc/83/36/59/502833659.db2.gz JUZHIQWSVDBPBC-UHFFFAOYSA-N 1 2 366.377 3.144 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)C1 ZINC000500897441 502887911 /nfs/dbraw/zinc/88/79/11/502887911.db2.gz SMPJFGIZPXMAEQ-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)C1 ZINC000500897441 502887915 /nfs/dbraw/zinc/88/79/15/502887915.db2.gz SMPJFGIZPXMAEQ-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO COc1cccc([C@H](C)[NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000513387018 502922607 /nfs/dbraw/zinc/92/26/07/502922607.db2.gz UMCIDIZDFMWQAR-HNNXBMFYSA-N 1 2 371.437 3.188 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513672549 502997629 /nfs/dbraw/zinc/99/76/29/502997629.db2.gz LMDGBLWWXGXMDS-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO Cc1sc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000514001728 503065211 /nfs/dbraw/zinc/06/52/11/503065211.db2.gz NCKCPFONXZXLQG-ZDUSSCGKSA-N 1 2 365.842 3.405 20 5 FGBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccs2)no1 ZINC000510576092 503147434 /nfs/dbraw/zinc/14/74/34/503147434.db2.gz BKBZGGCPKJAWKM-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccs2)no1 ZINC000510576092 503147436 /nfs/dbraw/zinc/14/74/36/503147436.db2.gz BKBZGGCPKJAWKM-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304706 503154284 /nfs/dbraw/zinc/15/42/84/503154284.db2.gz RHHREQTZEUQQDE-JCURWCKSSA-N 1 2 354.834 3.264 20 5 FGBDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304706 503154286 /nfs/dbraw/zinc/15/42/86/503154286.db2.gz RHHREQTZEUQQDE-JCURWCKSSA-N 1 2 354.834 3.264 20 5 FGBDLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1[N+](=O)[O-] ZINC000588844275 506355344 /nfs/dbraw/zinc/35/53/44/506355344.db2.gz AHLVOQUAUSKENF-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000498409926 503181407 /nfs/dbraw/zinc/18/14/07/503181407.db2.gz MHBACRNKPIVVPU-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000503072108 503341567 /nfs/dbraw/zinc/34/15/67/503341567.db2.gz AHFGJOOQDXIDAQ-GFCCVEGCSA-N 1 2 350.378 3.101 20 5 FGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000503072108 503341569 /nfs/dbraw/zinc/34/15/69/503341569.db2.gz AHFGJOOQDXIDAQ-GFCCVEGCSA-N 1 2 350.378 3.101 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492463713 503370936 /nfs/dbraw/zinc/37/09/36/503370936.db2.gz QZLXKRIYMTWAJW-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000492513602 503372808 /nfs/dbraw/zinc/37/28/08/503372808.db2.gz MGRAOJQFWGJWAY-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000492516630 503373659 /nfs/dbraw/zinc/37/36/59/503373659.db2.gz VVPKICKCKJGTQX-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000492754415 503383485 /nfs/dbraw/zinc/38/34/85/503383485.db2.gz ALFKUAMHHDHSKH-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000492754415 503383487 /nfs/dbraw/zinc/38/34/87/503383487.db2.gz ALFKUAMHHDHSKH-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000593077528 506379687 /nfs/dbraw/zinc/37/96/87/506379687.db2.gz RTCOFRMPGFBHEV-WBMJQRKESA-N 1 2 372.425 3.262 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1nnc2ccccn21 ZINC000508977099 503611134 /nfs/dbraw/zinc/61/11/34/503611134.db2.gz IYYRESLGUVZRMK-INIZCTEOSA-N 1 2 361.352 3.403 20 5 FGBDLO Cc1cc(NCC2([C@@H](C)CCO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537193324 503836123 /nfs/dbraw/zinc/83/61/23/503836123.db2.gz DACKPBTWQFVQEJ-AWEZNQCLSA-N 1 2 370.453 3.383 20 5 FGBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000543895345 503931172 /nfs/dbraw/zinc/93/11/72/503931172.db2.gz XQBBDDFGBAEEJU-UHFFFAOYSA-N 1 2 374.466 3.123 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000537628214 503984306 /nfs/dbraw/zinc/98/43/06/503984306.db2.gz ROEZSOJKQGRZJF-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000537628214 503984308 /nfs/dbraw/zinc/98/43/08/503984308.db2.gz ROEZSOJKQGRZJF-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c[nH+]1 ZINC000547316769 504059065 /nfs/dbraw/zinc/05/90/65/504059065.db2.gz BQFOXNRUEGHJHG-UHFFFAOYSA-N 1 2 364.405 3.349 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000544380211 504110328 /nfs/dbraw/zinc/11/03/28/504110328.db2.gz ZJZDMONACGZUDQ-LJQANCHMSA-N 1 2 368.368 3.412 20 5 FGBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534523054 504164705 /nfs/dbraw/zinc/16/47/05/504164705.db2.gz FEPOFWDBMSHIIZ-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538492489 504262009 /nfs/dbraw/zinc/26/20/09/504262009.db2.gz QBASDURGRKLXSB-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538492489 504262015 /nfs/dbraw/zinc/26/20/15/504262015.db2.gz QBASDURGRKLXSB-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000548613553 504496447 /nfs/dbraw/zinc/49/64/47/504496447.db2.gz DZWSIYOVRHCMMA-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO Cc1cccn2cc(CS(=O)(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000520667417 504552385 /nfs/dbraw/zinc/55/23/85/504552385.db2.gz JRUFYOYMDODASQ-CYBMUJFWSA-N 1 2 359.407 3.227 20 5 FGBDLO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000542616034 504555181 /nfs/dbraw/zinc/55/51/81/504555181.db2.gz OTQUYPNUFIYOCR-CQSZACIVSA-N 1 2 368.393 3.298 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000542942281 504666558 /nfs/dbraw/zinc/66/65/58/504666558.db2.gz OXOFTUZBMYZDEY-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000542942281 504666563 /nfs/dbraw/zinc/66/65/63/504666563.db2.gz OXOFTUZBMYZDEY-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc(SCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549108879 504688454 /nfs/dbraw/zinc/68/84/54/504688454.db2.gz LHIWFSWYAHESAD-UHFFFAOYSA-N 1 2 350.362 3.346 20 5 FGBDLO Cc1c(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000543096105 504722227 /nfs/dbraw/zinc/72/22/27/504722227.db2.gz QZRBVJJSMSCWGL-UHFFFAOYSA-N 1 2 370.453 3.361 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000556170591 504810628 /nfs/dbraw/zinc/81/06/28/504810628.db2.gz IGIFLGPHKBFNKK-CQSZACIVSA-N 1 2 363.830 3.350 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2n1C ZINC000553719264 504990085 /nfs/dbraw/zinc/99/00/85/504990085.db2.gz ATTIUKLDNKQWQC-UHFFFAOYSA-N 1 2 352.394 3.455 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000550306126 505017329 /nfs/dbraw/zinc/01/73/29/505017329.db2.gz QVQYTFQLEITTTI-IJLUTSLNSA-N 1 2 360.439 3.386 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000550306126 505017331 /nfs/dbraw/zinc/01/73/31/505017331.db2.gz QVQYTFQLEITTTI-IJLUTSLNSA-N 1 2 360.439 3.386 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)o2)cc1 ZINC000550504588 505055760 /nfs/dbraw/zinc/05/57/60/505055760.db2.gz LNEDNPZGCVWOOK-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC[C@@H]3CC3CCC3)o2)cc1 ZINC000550504588 505055764 /nfs/dbraw/zinc/05/57/64/505055764.db2.gz LNEDNPZGCVWOOK-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000566075581 505073589 /nfs/dbraw/zinc/07/35/89/505073589.db2.gz XYBPVGZAMVETFB-SHTZXODSSA-N 1 2 354.410 3.451 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc[nH+]1 ZINC000550685960 505084437 /nfs/dbraw/zinc/08/44/37/505084437.db2.gz WNHKPMLAILUUSJ-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO COc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000563333355 505110785 /nfs/dbraw/zinc/11/07/85/505110785.db2.gz KVFLHGRWZIXMLY-HDJSIYSDSA-N 1 2 370.409 3.152 20 5 FGBDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000566229187 505119162 /nfs/dbraw/zinc/11/91/62/505119162.db2.gz KKEJRLUTDQECCX-UHFFFAOYSA-N 1 2 361.423 3.120 20 5 FGBDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000566229187 505119166 /nfs/dbraw/zinc/11/91/66/505119166.db2.gz KKEJRLUTDQECCX-UHFFFAOYSA-N 1 2 361.423 3.120 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000551042781 505147222 /nfs/dbraw/zinc/14/72/22/505147222.db2.gz TXEIQDITTZETCJ-UHFFFAOYSA-N 1 2 374.344 3.006 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000563474762 505150493 /nfs/dbraw/zinc/15/04/93/505150493.db2.gz ZFYJWLURPCBXOM-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1[N+](=O)[O-] ZINC000560810091 505191418 /nfs/dbraw/zinc/19/14/18/505191418.db2.gz SZRKFUHXOHEIQF-UHFFFAOYSA-N 1 2 366.381 3.120 20 5 FGBDLO Cc1[nH+]cc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)n1-c1ccccc1 ZINC000558577466 505428462 /nfs/dbraw/zinc/42/84/62/505428462.db2.gz OIJDLCXEDZNYFN-UHFFFAOYSA-N 1 2 364.405 3.484 20 5 FGBDLO COc1ccc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000552275335 505447216 /nfs/dbraw/zinc/44/72/16/505447216.db2.gz RZDAOWPMKULQEO-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000558829409 505504359 /nfs/dbraw/zinc/50/43/59/505504359.db2.gz KGSBCMSCWRMISQ-UHFFFAOYSA-N 1 2 358.398 3.011 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599335793 506416982 /nfs/dbraw/zinc/41/69/82/506416982.db2.gz XSPNCCDFWHPFOV-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599335793 506416988 /nfs/dbraw/zinc/41/69/88/506416988.db2.gz XSPNCCDFWHPFOV-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174590 506472825 /nfs/dbraw/zinc/47/28/25/506472825.db2.gz KJSPOZPHPBVLRJ-MRXNPFEDSA-N 1 2 373.384 3.134 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174590 506472831 /nfs/dbraw/zinc/47/28/31/506472831.db2.gz KJSPOZPHPBVLRJ-MRXNPFEDSA-N 1 2 373.384 3.134 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599622621 506535539 /nfs/dbraw/zinc/53/55/39/506535539.db2.gz LIDYZXWCURJMHQ-UHFFFAOYSA-N 1 2 366.421 3.407 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000589496755 506568675 /nfs/dbraw/zinc/56/86/75/506568675.db2.gz MTSSAIIDBKVSLJ-KUHUBIRLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000589496755 506568684 /nfs/dbraw/zinc/56/86/84/506568684.db2.gz MTSSAIIDBKVSLJ-KUHUBIRLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000589506009 506572256 /nfs/dbraw/zinc/57/22/56/506572256.db2.gz UMICTFPLIVGZLS-UHFFFAOYSA-N 1 2 351.790 3.005 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000589506009 506572262 /nfs/dbraw/zinc/57/22/62/506572262.db2.gz UMICTFPLIVGZLS-UHFFFAOYSA-N 1 2 351.790 3.005 20 5 FGBDLO O=C(NC1CC1)c1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000589800001 506651174 /nfs/dbraw/zinc/65/11/74/506651174.db2.gz DHCGDYVYYOSLDV-UHFFFAOYSA-N 1 2 365.393 3.018 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(OC4CC4)c3F)nc2c1 ZINC000597117397 506784739 /nfs/dbraw/zinc/78/47/39/506784739.db2.gz OOWSHEMOZRKNKC-UHFFFAOYSA-N 1 2 356.357 3.441 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000609156229 506796103 /nfs/dbraw/zinc/79/61/03/506796103.db2.gz WHOMWYPWTQVMGD-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO C[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000590423321 506819024 /nfs/dbraw/zinc/81/90/24/506819024.db2.gz KRWXOMYPOOJNHI-MFKMUULPSA-N 1 2 370.331 3.242 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233296 506822272 /nfs/dbraw/zinc/82/22/72/506822272.db2.gz CUPPXORMHAEVJC-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233296 506822278 /nfs/dbraw/zinc/82/22/78/506822278.db2.gz CUPPXORMHAEVJC-DNVCBOLYSA-N 1 2 369.421 3.385 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991148 506851659 /nfs/dbraw/zinc/85/16/59/506851659.db2.gz CACPGFXGMCSKQV-HABDOHHLSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000612991148 506851668 /nfs/dbraw/zinc/85/16/68/506851668.db2.gz CACPGFXGMCSKQV-HABDOHHLSA-N 1 2 356.382 3.074 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000609476827 506893312 /nfs/dbraw/zinc/89/33/12/506893312.db2.gz CIZOZBXCBYRHIE-UHFFFAOYSA-N 1 2 374.788 3.362 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCOc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000583665944 506901785 /nfs/dbraw/zinc/90/17/85/506901785.db2.gz VOAIRGVWKWBXAZ-ZDUSSCGKSA-N 1 2 370.405 3.321 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCOc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000583665944 506901790 /nfs/dbraw/zinc/90/17/90/506901790.db2.gz VOAIRGVWKWBXAZ-ZDUSSCGKSA-N 1 2 370.405 3.321 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609618952 506949702 /nfs/dbraw/zinc/94/97/02/506949702.db2.gz ODQQQSPWHTTYGG-UHFFFAOYSA-N 1 2 365.393 3.098 20 5 FGBDLO O=[N+]([O-])c1ccc2ncnc(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000609849425 507023255 /nfs/dbraw/zinc/02/32/55/507023255.db2.gz CPUXUCLOPNUZIQ-UHFFFAOYSA-N 1 2 350.382 3.014 20 5 FGBDLO CCOC(=O)c1ccnc(Nc2ccc(N(CC)CC)[nH+]c2)c1[N+](=O)[O-] ZINC000609964655 507056364 /nfs/dbraw/zinc/05/63/64/507056364.db2.gz QTMQQDAPUXDSEW-UHFFFAOYSA-N 1 2 359.386 3.151 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000610210306 507138934 /nfs/dbraw/zinc/13/89/34/507138934.db2.gz ILJZKVBITZLKHK-UHFFFAOYSA-N 1 2 351.366 3.095 20 5 FGBDLO CC1(C)C[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000594514691 507164915 /nfs/dbraw/zinc/16/49/15/507164915.db2.gz ZIOFSBFWKMOAOR-HUUCEWRRSA-N 1 2 357.414 3.077 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnnn3C3CC3)o2)c(Cl)c1 ZINC000610271795 507169730 /nfs/dbraw/zinc/16/97/30/507169730.db2.gz DLERQHUCAHBJDN-UHFFFAOYSA-N 1 2 374.788 3.119 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000610304645 507186182 /nfs/dbraw/zinc/18/61/82/507186182.db2.gz QYGFCOHMSOTEGM-KRWDZBQOSA-N 1 2 368.368 3.181 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610316927 507190152 /nfs/dbraw/zinc/19/01/52/507190152.db2.gz QHNPNMOXYIWUMG-QGZVFWFLSA-N 1 2 365.393 3.434 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1CNc1cc(C(F)(F)F)cc[nH+]1)OCCO2 ZINC000613631751 507191200 /nfs/dbraw/zinc/19/12/00/507191200.db2.gz ZMJBOIOUVJQYES-UHFFFAOYSA-N 1 2 355.272 3.392 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH+]c12 ZINC000610434761 507238084 /nfs/dbraw/zinc/23/80/84/507238084.db2.gz KNIPUOWIRLBDFC-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO COc1ccc2nc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000601150557 507278493 /nfs/dbraw/zinc/27/84/93/507278493.db2.gz ZIOVRSIQJVBDOD-SFHVURJKSA-N 1 2 373.434 3.210 20 5 FGBDLO Cc1ccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000601178688 507289427 /nfs/dbraw/zinc/28/94/27/507289427.db2.gz WRVFQEBLXBPITH-UHFFFAOYSA-N 1 2 373.478 3.080 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610644675 507330769 /nfs/dbraw/zinc/33/07/69/507330769.db2.gz ICFVFBDTWZBIOW-HOCLYGCPSA-N 1 2 357.414 3.207 20 5 FGBDLO CCc1cc(N[C@@H](C)C[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610734901 507369235 /nfs/dbraw/zinc/36/92/35/507369235.db2.gz SZTSJULEZMWIKS-KBPBESRZSA-N 1 2 356.426 3.263 20 5 FGBDLO CCc1cc(N[C@@H](C)C[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610734903 507369739 /nfs/dbraw/zinc/36/97/39/507369739.db2.gz SZTSJULEZMWIKS-UONOGXRCSA-N 1 2 356.426 3.263 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H](C(F)F)CC3)co2)cc1 ZINC000601972785 507533614 /nfs/dbraw/zinc/53/36/14/507533614.db2.gz FRFMFEXDMXIALS-AWEZNQCLSA-N 1 2 353.325 3.106 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H](C(F)F)CC3)co2)cc1 ZINC000601972785 507533617 /nfs/dbraw/zinc/53/36/17/507533617.db2.gz FRFMFEXDMXIALS-AWEZNQCLSA-N 1 2 353.325 3.106 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598651143 507534567 /nfs/dbraw/zinc/53/45/67/507534567.db2.gz WNLMWNXSLJVYDB-INIZCTEOSA-N 1 2 371.384 3.346 20 5 FGBDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262722 507590658 /nfs/dbraw/zinc/59/06/58/507590658.db2.gz HLHCMFPLYSVSEJ-CYBMUJFWSA-N 1 2 356.378 3.322 20 5 FGBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262722 507590663 /nfs/dbraw/zinc/59/06/63/507590663.db2.gz HLHCMFPLYSVSEJ-CYBMUJFWSA-N 1 2 356.378 3.322 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000595613670 507592387 /nfs/dbraw/zinc/59/23/87/507592387.db2.gz DGFLELNSAZOLDA-ZDUSSCGKSA-N 1 2 373.409 3.403 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)cc1F ZINC000611290037 507607948 /nfs/dbraw/zinc/60/79/48/507607948.db2.gz XTDJHVQJFURKNT-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595682559 507626354 /nfs/dbraw/zinc/62/63/54/507626354.db2.gz BGYWPNLUQQROKF-INIZCTEOSA-N 1 2 364.373 3.228 20 5 FGBDLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595689163 507629002 /nfs/dbraw/zinc/62/90/02/507629002.db2.gz MLJXGHBFBVAUAS-GASCZTMLSA-N 1 2 355.232 3.216 20 5 FGBDLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595689163 507629008 /nfs/dbraw/zinc/62/90/08/507629008.db2.gz MLJXGHBFBVAUAS-GASCZTMLSA-N 1 2 355.232 3.216 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])CCCC2 ZINC000614771627 507647545 /nfs/dbraw/zinc/64/75/45/507647545.db2.gz OLFKNOTULSTRSP-SFHVURJKSA-N 1 2 356.426 3.250 20 5 FGBDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586768578 507665057 /nfs/dbraw/zinc/66/50/57/507665057.db2.gz HBNUIRXUFVVOTH-LLVKDONJSA-N 1 2 356.369 3.284 20 5 FGBDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586768578 507665063 /nfs/dbraw/zinc/66/50/63/507665063.db2.gz HBNUIRXUFVVOTH-LLVKDONJSA-N 1 2 356.369 3.284 20 5 FGBDLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735873965 598760304 /nfs/dbraw/zinc/76/03/04/598760304.db2.gz KJOJXXPENGLONL-UHFFFAOYSA-N 1 2 370.388 3.325 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735873965 598760305 /nfs/dbraw/zinc/76/03/05/598760305.db2.gz KJOJXXPENGLONL-UHFFFAOYSA-N 1 2 370.388 3.325 20 5 FGBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093816045 700455026 /nfs/dbraw/zinc/45/50/26/700455026.db2.gz XUFGESIXAMKZGS-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093816045 700455028 /nfs/dbraw/zinc/45/50/28/700455028.db2.gz XUFGESIXAMKZGS-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177781764 705639904 /nfs/dbraw/zinc/63/99/04/705639904.db2.gz YCNORTBODUEAEG-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490913 722516787 /nfs/dbraw/zinc/51/67/87/722516787.db2.gz VCRAXIJELCBOED-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490913 722516788 /nfs/dbraw/zinc/51/67/88/722516788.db2.gz VCRAXIJELCBOED-JKIFEVAISA-N 1 2 367.877 3.322 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747532195 722649943 /nfs/dbraw/zinc/64/99/43/722649943.db2.gz VMRKCXUEENPAOV-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747532195 722649945 /nfs/dbraw/zinc/64/99/45/722649945.db2.gz VMRKCXUEENPAOV-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO O=C(OCc1csc(Cl)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000793224863 723413414 /nfs/dbraw/zinc/41/34/14/723413414.db2.gz PRFUZGWTSBWMLX-UHFFFAOYSA-N 1 2 364.770 3.247 20 5 FGBDLO Cc1nn(C[NH+]2CCN(c3cccs3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765075828 723475803 /nfs/dbraw/zinc/47/58/03/723475803.db2.gz XESZMCCUEDNHCM-UHFFFAOYSA-N 1 2 357.439 3.094 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000771156484 723729042 /nfs/dbraw/zinc/72/90/42/723729042.db2.gz YBSSEPBYPPXYJA-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000771156484 723729043 /nfs/dbraw/zinc/72/90/43/723729043.db2.gz YBSSEPBYPPXYJA-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000771153594 723729047 /nfs/dbraw/zinc/72/90/47/723729047.db2.gz IJADRDYUWTWSQJ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000771153594 723729048 /nfs/dbraw/zinc/72/90/48/723729048.db2.gz IJADRDYUWTWSQJ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579632 724161841 /nfs/dbraw/zinc/16/18/41/724161841.db2.gz NZSURQNZUNEVGK-ROUUACIJSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579632 724161845 /nfs/dbraw/zinc/16/18/45/724161845.db2.gz NZSURQNZUNEVGK-ROUUACIJSA-N 1 2 362.813 3.355 20 5 FGBDLO Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(N(C)C)[nH+]1 ZINC000778048591 724290422 /nfs/dbraw/zinc/29/04/22/724290422.db2.gz AVGCNZWHCSJDID-UHFFFAOYSA-N 1 2 350.325 3.095 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784411498 724850990 /nfs/dbraw/zinc/85/09/90/724850990.db2.gz IYPDNSCYHWTFFI-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784411498 724850991 /nfs/dbraw/zinc/85/09/91/724850991.db2.gz IYPDNSCYHWTFFI-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805798024 725096675 /nfs/dbraw/zinc/09/66/75/725096675.db2.gz OVQKBAXPCIDKNJ-NHYWBVRUSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805798024 725096676 /nfs/dbraw/zinc/09/66/76/725096676.db2.gz OVQKBAXPCIDKNJ-NHYWBVRUSA-N 1 2 353.394 3.221 20 5 FGBDLO Cn1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000816515392 727170337 /nfs/dbraw/zinc/17/03/37/727170337.db2.gz YHBGBIMDWCZYMB-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)CC23CCC3)ccc1Br ZINC000817293311 727237435 /nfs/dbraw/zinc/23/74/35/727237435.db2.gz ZUPDJPCTYVBQRJ-LBPRGKRZSA-N 1 2 355.232 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)CC23CCC3)ccc1Br ZINC000817293311 727237436 /nfs/dbraw/zinc/23/74/36/727237436.db2.gz ZUPDJPCTYVBQRJ-LBPRGKRZSA-N 1 2 355.232 3.237 20 5 FGBDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000820632183 729012966 /nfs/dbraw/zinc/01/29/66/729012966.db2.gz FOIUWBDQXYYXFM-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000820632183 729012968 /nfs/dbraw/zinc/01/29/68/729012968.db2.gz FOIUWBDQXYYXFM-INIZCTEOSA-N 1 2 364.829 3.428 20 5 FGBDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000845512419 730860183 /nfs/dbraw/zinc/86/01/83/730860183.db2.gz WPKRKRMJVBMQPD-UHFFFAOYSA-N 1 2 361.423 3.006 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847037592 731009945 /nfs/dbraw/zinc/00/99/45/731009945.db2.gz PPADHCAKIJSXFG-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847037592 731009951 /nfs/dbraw/zinc/00/99/51/731009951.db2.gz PPADHCAKIJSXFG-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852495743 731593150 /nfs/dbraw/zinc/59/31/50/731593150.db2.gz NEPHFVXOLUWVGY-RNCFNFMXSA-N 1 2 358.225 3.002 20 5 FGBDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852495743 731593151 /nfs/dbraw/zinc/59/31/51/731593151.db2.gz NEPHFVXOLUWVGY-RNCFNFMXSA-N 1 2 358.225 3.002 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000872017412 735576671 /nfs/dbraw/zinc/57/66/71/735576671.db2.gz AZKJUICLJFEKRL-GFCCVEGCSA-N 1 2 361.471 3.485 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC000878056401 736764514 /nfs/dbraw/zinc/76/45/14/736764514.db2.gz VCKIGYLDMDRAHO-SECBINFHSA-N 1 2 354.819 3.236 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCS1 ZINC000878056401 736764517 /nfs/dbraw/zinc/76/45/17/736764517.db2.gz VCKIGYLDMDRAHO-SECBINFHSA-N 1 2 354.819 3.236 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533606 736870704 /nfs/dbraw/zinc/87/07/04/736870704.db2.gz HGFMHCSNWBWDSE-MWLCHTKSSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533606 736870708 /nfs/dbraw/zinc/87/07/08/736870708.db2.gz HGFMHCSNWBWDSE-MWLCHTKSSA-N 1 2 356.304 3.418 20 5 FGBDLO O=C(C[NH+]1CCC2(CCCCO2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880457030 737176251 /nfs/dbraw/zinc/17/62/51/737176251.db2.gz HLYXQCMEIULOKS-UHFFFAOYSA-N 1 2 367.833 3.222 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000881532668 737347127 /nfs/dbraw/zinc/34/71/27/737347127.db2.gz JTKLOWGMUVBAMB-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc(O)ccc2Cl)c([N+](=O)[O-])cc1OC ZINC000883324723 737553996 /nfs/dbraw/zinc/55/39/96/737553996.db2.gz BFEWASGDFOLSRZ-UHFFFAOYSA-N 1 2 352.774 3.261 20 5 FGBDLO CC1(C)C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000888810512 739581348 /nfs/dbraw/zinc/58/13/48/739581348.db2.gz FLSNYMDXMDSSDU-ZDUSSCGKSA-N 1 2 360.439 3.185 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000891637902 739923111 /nfs/dbraw/zinc/92/31/11/739923111.db2.gz DHGAOYNVEGGSAG-UHFFFAOYSA-N 1 2 364.452 3.013 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000891637902 739923113 /nfs/dbraw/zinc/92/31/13/739923113.db2.gz DHGAOYNVEGGSAG-UHFFFAOYSA-N 1 2 364.452 3.013 20 5 FGBDLO Cn1ncc([N+](=O)[O-])c1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000892472535 740003983 /nfs/dbraw/zinc/00/39/83/740003983.db2.gz ZSANBCZNQSQYBE-UHFFFAOYSA-N 1 2 358.427 3.160 20 5 FGBDLO Cn1ncc([N+](=O)[O-])c1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000892472535 740003989 /nfs/dbraw/zinc/00/39/89/740003989.db2.gz ZSANBCZNQSQYBE-UHFFFAOYSA-N 1 2 358.427 3.160 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000895349165 742400984 /nfs/dbraw/zinc/40/09/84/742400984.db2.gz JTWDXQIKWQYBKX-UHFFFAOYSA-N 1 2 356.411 3.075 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927087968 759889033 /nfs/dbraw/zinc/88/90/33/759889033.db2.gz SEOZPMZODQXDPT-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000931886793 760992408 /nfs/dbraw/zinc/99/24/08/760992408.db2.gz OBACGZQDETVIAI-CYBMUJFWSA-N 1 2 362.817 3.241 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000057814045 493801625 /nfs/dbraw/zinc/80/16/25/493801625.db2.gz ABGMTSIQRMPNKL-SFHVURJKSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000057814045 493801630 /nfs/dbraw/zinc/80/16/30/493801630.db2.gz ABGMTSIQRMPNKL-SFHVURJKSA-N 1 2 371.462 3.446 20 5 FGBDLO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccn1 ZINC000048273203 493810410 /nfs/dbraw/zinc/81/04/10/493810410.db2.gz DMCKXQXVZPKSBE-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccn1 ZINC000048273203 493810413 /nfs/dbraw/zinc/81/04/13/493810413.db2.gz DMCKXQXVZPKSBE-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000057868568 493810792 /nfs/dbraw/zinc/81/07/92/493810792.db2.gz SWLZIVMCGMBFFC-GOSISDBHSA-N 1 2 371.462 3.202 20 5 FGBDLO C[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000057868568 493810795 /nfs/dbraw/zinc/81/07/95/493810795.db2.gz SWLZIVMCGMBFFC-GOSISDBHSA-N 1 2 371.462 3.202 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000081317728 493868494 /nfs/dbraw/zinc/86/84/94/493868494.db2.gz FWAUJODBJRIHFX-KRWDZBQOSA-N 1 2 350.378 3.042 20 5 FGBDLO COC(=O)/C=C/c1ccc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000068772515 493870865 /nfs/dbraw/zinc/87/08/65/493870865.db2.gz BAJNIRWZWFWPBE-VQHVLOKHSA-N 1 2 366.377 3.349 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000030213538 493880191 /nfs/dbraw/zinc/88/01/91/493880191.db2.gz GQBLYPPZMVYCHD-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000030213538 493880196 /nfs/dbraw/zinc/88/01/96/493880196.db2.gz GQBLYPPZMVYCHD-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO Cc1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000059373483 493905193 /nfs/dbraw/zinc/90/51/93/493905193.db2.gz YIZDCIMVCVKAJN-UHFFFAOYSA-N 1 2 354.454 3.133 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000081573767 493920257 /nfs/dbraw/zinc/92/02/57/493920257.db2.gz OTDAFVKAXGSPEA-YJYMSZOUSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000081573767 493920262 /nfs/dbraw/zinc/92/02/62/493920262.db2.gz OTDAFVKAXGSPEA-YJYMSZOUSA-N 1 2 355.394 3.235 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000061637046 493988347 /nfs/dbraw/zinc/98/83/47/493988347.db2.gz NVFQTLSJPXLHJH-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070033018 494039551 /nfs/dbraw/zinc/03/95/51/494039551.db2.gz KOAHUHOGPMFVPC-SFHVURJKSA-N 1 2 371.462 3.001 20 5 FGBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070450739 494044574 /nfs/dbraw/zinc/04/45/74/494044574.db2.gz MKQRNMLSFBXCFW-GOSISDBHSA-N 1 2 371.462 3.001 20 5 FGBDLO CC[N@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000052699947 494055126 /nfs/dbraw/zinc/05/51/26/494055126.db2.gz JEPJTSHAAYWGBG-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000052699947 494055131 /nfs/dbraw/zinc/05/51/31/494055131.db2.gz JEPJTSHAAYWGBG-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)on1 ZINC000052822087 494064411 /nfs/dbraw/zinc/06/44/11/494064411.db2.gz ZDPXDOUTXBTJOH-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)on1 ZINC000052822087 494064416 /nfs/dbraw/zinc/06/44/16/494064416.db2.gz ZDPXDOUTXBTJOH-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000072039267 494119119 /nfs/dbraw/zinc/11/91/19/494119119.db2.gz RMTGIYLSKKUTND-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277845 494215431 /nfs/dbraw/zinc/21/54/31/494215431.db2.gz HRGQJIMEBJQUMN-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277845 494215433 /nfs/dbraw/zinc/21/54/33/494215433.db2.gz HRGQJIMEBJQUMN-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042801895 494245396 /nfs/dbraw/zinc/24/53/96/494245396.db2.gz UPQJEFHVWVCCND-UHFFFAOYSA-N 1 2 373.800 3.014 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605550 494252434 /nfs/dbraw/zinc/25/24/34/494252434.db2.gz NSPJXCWSQZBTQJ-LSDHHAIUSA-N 1 2 353.422 3.219 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605550 494252437 /nfs/dbraw/zinc/25/24/37/494252437.db2.gz NSPJXCWSQZBTQJ-LSDHHAIUSA-N 1 2 353.422 3.219 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607966 494253059 /nfs/dbraw/zinc/25/30/59/494253059.db2.gz JSXLDDGBUYDLHI-MRXNPFEDSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607966 494253062 /nfs/dbraw/zinc/25/30/62/494253062.db2.gz JSXLDDGBUYDLHI-MRXNPFEDSA-N 1 2 367.449 3.308 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000072837176 494261294 /nfs/dbraw/zinc/26/12/94/494261294.db2.gz MYEIGCHQBYZMHR-BLLLJJGKSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072837176 494261299 /nfs/dbraw/zinc/26/12/99/494261299.db2.gz MYEIGCHQBYZMHR-BLLLJJGKSA-N 1 2 367.471 3.004 20 5 FGBDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000055467374 494349115 /nfs/dbraw/zinc/34/91/15/494349115.db2.gz BBLJJLYQWOIGQM-AWEZNQCLSA-N 1 2 350.378 3.331 20 5 FGBDLO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016475618 494391920 /nfs/dbraw/zinc/39/19/20/494391920.db2.gz WOZNRHYSCWJANU-GHMZBOCLSA-N 1 2 370.247 3.274 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000018236693 494431098 /nfs/dbraw/zinc/43/10/98/494431098.db2.gz UKCSDZVUDWCZRQ-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000045910021 494475364 /nfs/dbraw/zinc/47/53/64/494475364.db2.gz HDVDAMWTCJMCGL-OAHLLOKOSA-N 1 2 351.403 3.281 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725860 494516153 /nfs/dbraw/zinc/51/61/53/494516153.db2.gz AHIXEUZXFGWOKH-GFCCVEGCSA-N 1 2 360.439 3.199 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1F ZINC000022262630 494518948 /nfs/dbraw/zinc/51/89/48/494518948.db2.gz FFTCSZUKUDAPBR-LBPRGKRZSA-N 1 2 372.385 3.378 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000023057738 494547578 /nfs/dbraw/zinc/54/75/78/494547578.db2.gz KTEXVXGAVQVMBO-UHFFFAOYSA-N 1 2 367.449 3.217 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000023773846 494583144 /nfs/dbraw/zinc/58/31/44/494583144.db2.gz HVIHCXOBYKQLTH-KRWDZBQOSA-N 1 2 350.378 3.156 20 5 FGBDLO CNC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000115714155 494602085 /nfs/dbraw/zinc/60/20/85/494602085.db2.gz VFEUXUYPQXQXFA-UHFFFAOYSA-N 1 2 355.398 3.083 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000080125732 494604650 /nfs/dbraw/zinc/60/46/50/494604650.db2.gz GHJSRRFLYJKQQM-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126016631 494608048 /nfs/dbraw/zinc/60/80/48/494608048.db2.gz GGVXBXVSSDYVFS-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO COc1cc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000091506291 494610931 /nfs/dbraw/zinc/61/09/31/494610931.db2.gz IXNAXYCAQPSYNK-UHFFFAOYSA-N 1 2 354.366 3.410 20 5 FGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092437608 494626461 /nfs/dbraw/zinc/62/64/61/494626461.db2.gz GMRICHMGHRAIGM-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092437608 494626469 /nfs/dbraw/zinc/62/64/69/494626469.db2.gz GMRICHMGHRAIGM-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000047417158 494702774 /nfs/dbraw/zinc/70/27/74/494702774.db2.gz QEOLVYANHBCGQE-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@H](c1ccccn1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067999171 494724248 /nfs/dbraw/zinc/72/42/48/494724248.db2.gz QUWQDPCLMVIVLQ-CYBMUJFWSA-N 1 2 351.366 3.009 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000025411405 494737101 /nfs/dbraw/zinc/73/71/01/494737101.db2.gz NDEMIFZLIUMFEV-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057451261 494753112 /nfs/dbraw/zinc/75/31/12/494753112.db2.gz ATRGCQSVVHYGCW-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057451261 494753122 /nfs/dbraw/zinc/75/31/22/494753122.db2.gz ATRGCQSVVHYGCW-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO C[N@H+](CCOc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916203 494789618 /nfs/dbraw/zinc/78/96/18/494789618.db2.gz IUWXXXNAJNINDR-UHFFFAOYSA-N 1 2 354.366 3.156 20 5 FGBDLO C[N@@H+](CCOc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916203 494789622 /nfs/dbraw/zinc/78/96/22/494789622.db2.gz IUWXXXNAJNINDR-UHFFFAOYSA-N 1 2 354.366 3.156 20 5 FGBDLO COc1cc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])cc1OC ZINC000121541591 494797045 /nfs/dbraw/zinc/79/70/45/494797045.db2.gz DJEGXLDYDALOEM-UHFFFAOYSA-N 1 2 373.409 3.317 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000026346027 494820441 /nfs/dbraw/zinc/82/04/41/494820441.db2.gz CDGFUMSJDJUKMX-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000026346027 494820443 /nfs/dbraw/zinc/82/04/43/494820443.db2.gz CDGFUMSJDJUKMX-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000126699095 494822193 /nfs/dbraw/zinc/82/21/93/494822193.db2.gz RQOXQOYLXYIIGY-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116636391 494829643 /nfs/dbraw/zinc/82/96/43/494829643.db2.gz XBSBRCLMPBXPGF-UHFFFAOYSA-N 1 2 351.746 3.059 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000116896462 494868429 /nfs/dbraw/zinc/86/84/29/494868429.db2.gz KLUSJXNTIIHMPO-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000116896462 494868431 /nfs/dbraw/zinc/86/84/31/494868431.db2.gz KLUSJXNTIIHMPO-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000134241309 495125735 /nfs/dbraw/zinc/12/57/35/495125735.db2.gz ZEPWFKGOJVQLQR-HNNXBMFYSA-N 1 2 367.327 3.045 20 5 FGBDLO C[S@](=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119753881 495233888 /nfs/dbraw/zinc/23/38/88/495233888.db2.gz RLIFRGLOYSLSJC-NPMXOYFQSA-N 1 2 352.843 3.458 20 5 FGBDLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330451 495297593 /nfs/dbraw/zinc/29/75/93/495297593.db2.gz QJDOOJIQJBISGZ-NEPJUHHUSA-N 1 2 362.455 3.111 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000105384487 495360603 /nfs/dbraw/zinc/36/06/03/495360603.db2.gz MQHZPIYRJOJNOV-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136601764 495389307 /nfs/dbraw/zinc/38/93/07/495389307.db2.gz UYGFAYVSOHHTMU-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136601764 495389310 /nfs/dbraw/zinc/38/93/10/495389310.db2.gz UYGFAYVSOHHTMU-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000137941874 495453592 /nfs/dbraw/zinc/45/35/92/495453592.db2.gz HTESMMFNSUKRRJ-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130905401 495463782 /nfs/dbraw/zinc/46/37/82/495463782.db2.gz PRMDJERLMVWVLI-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130905401 495463786 /nfs/dbraw/zinc/46/37/86/495463786.db2.gz PRMDJERLMVWVLI-OAHLLOKOSA-N 1 2 353.422 3.437 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000125863417 495510577 /nfs/dbraw/zinc/51/05/77/495510577.db2.gz MQRXBDMIXPTLLD-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000125863417 495510580 /nfs/dbraw/zinc/51/05/80/495510580.db2.gz MQRXBDMIXPTLLD-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000154314883 495579245 /nfs/dbraw/zinc/57/92/45/495579245.db2.gz JTXISTHDVBPHFJ-RVKKMQEKSA-N 1 2 371.441 3.453 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000176320940 495599247 /nfs/dbraw/zinc/59/92/47/495599247.db2.gz GLLUCJSEDBFYHH-AWEZNQCLSA-N 1 2 359.430 3.316 20 5 FGBDLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185494795 495599263 /nfs/dbraw/zinc/59/92/63/495599263.db2.gz FOMWOCUSMJSMDC-IGCXYCKISA-N 1 2 360.389 3.144 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCOCC3)o2)c(Br)c1 ZINC000154509530 495638401 /nfs/dbraw/zinc/63/84/01/495638401.db2.gz CLHLHSYOHLCXRZ-UHFFFAOYSA-N 1 2 367.199 3.450 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)c3n[nH]c(CC)c3[N+](=O)[O-])cc2[nH+]1 ZINC000185823440 495739462 /nfs/dbraw/zinc/73/94/62/495739462.db2.gz IGLAQSVBBBONIN-UHFFFAOYSA-N 1 2 356.386 3.352 20 5 FGBDLO C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000186438466 495998778 /nfs/dbraw/zinc/99/87/78/495998778.db2.gz OEDAWAJBPMOZIG-LBPRGKRZSA-N 1 2 366.381 3.200 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155698222 496038955 /nfs/dbraw/zinc/03/89/55/496038955.db2.gz FFRAKHGWKSRESL-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155698222 496038959 /nfs/dbraw/zinc/03/89/59/496038959.db2.gz FFRAKHGWKSRESL-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000174761569 496095300 /nfs/dbraw/zinc/09/53/00/496095300.db2.gz XZPFLGWTFDUDKW-UHFFFAOYSA-N 1 2 368.418 3.442 20 5 FGBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC(C)(C)C ZINC000172116764 496172276 /nfs/dbraw/zinc/17/22/76/496172276.db2.gz NZILJQFCACGTMJ-LLVKDONJSA-N 1 2 362.455 3.111 20 5 FGBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC(C)(C)C ZINC000172116761 496172449 /nfs/dbraw/zinc/17/24/49/496172449.db2.gz NZILJQFCACGTMJ-NSHDSACASA-N 1 2 362.455 3.111 20 5 FGBDLO Cc1c(CC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cccc1[N+](=O)[O-] ZINC000162121410 496299306 /nfs/dbraw/zinc/29/93/06/496299306.db2.gz ZVJAHXLXCJZVTI-UHFFFAOYSA-N 1 2 350.378 3.485 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175354625 496352935 /nfs/dbraw/zinc/35/29/35/496352935.db2.gz YFTVBDMBTLFICZ-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO C[C@@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccs1 ZINC000153260738 496399674 /nfs/dbraw/zinc/39/96/74/496399674.db2.gz PTFWKBQJUREEHN-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccs1 ZINC000153260738 496399680 /nfs/dbraw/zinc/39/96/80/496399680.db2.gz PTFWKBQJUREEHN-CYBMUJFWSA-N 1 2 359.451 3.498 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162798503 496414045 /nfs/dbraw/zinc/41/40/45/496414045.db2.gz MLMRDZVLIVHJIM-UHFFFAOYSA-N 1 2 351.366 3.426 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000175561278 496443112 /nfs/dbraw/zinc/44/31/12/496443112.db2.gz AGVMGQUGOOWGKU-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000163009349 496449285 /nfs/dbraw/zinc/44/92/85/496449285.db2.gz QKQBSPNDDIZRKD-OAHLLOKOSA-N 1 2 369.425 3.209 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153509071 496479662 /nfs/dbraw/zinc/47/96/62/496479662.db2.gz VYTDGDDXMSQKCQ-HNNXBMFYSA-N 1 2 371.393 3.010 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000184806612 496539487 /nfs/dbraw/zinc/53/94/87/496539487.db2.gz KAZFMGOIMQXGFX-LRDDRELGSA-N 1 2 361.398 3.055 20 5 FGBDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775077 496566273 /nfs/dbraw/zinc/56/62/73/496566273.db2.gz VTFWIWPTDRVJFE-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775077 496566279 /nfs/dbraw/zinc/56/62/79/496566279.db2.gz VTFWIWPTDRVJFE-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000154019077 496656429 /nfs/dbraw/zinc/65/64/29/496656429.db2.gz YBPNRNFJGCZSQR-HIFRSBDPSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000154019077 496656432 /nfs/dbraw/zinc/65/64/32/496656432.db2.gz YBPNRNFJGCZSQR-HIFRSBDPSA-N 1 2 360.863 3.036 20 5 FGBDLO CC[N@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000188060780 496667385 /nfs/dbraw/zinc/66/73/85/496667385.db2.gz RGEVZIZRCRLMBB-UHFFFAOYSA-N 1 2 363.801 3.348 20 5 FGBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000188060780 496667391 /nfs/dbraw/zinc/66/73/91/496667391.db2.gz RGEVZIZRCRLMBB-UHFFFAOYSA-N 1 2 363.801 3.348 20 5 FGBDLO Cc1cc(N(C[C@H]2CCOC2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000167547189 496702882 /nfs/dbraw/zinc/70/28/82/496702882.db2.gz ZFJJUDMONUKSQQ-CQSZACIVSA-N 1 2 354.410 3.366 20 5 FGBDLO CSc1cccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000188225693 496719324 /nfs/dbraw/zinc/71/93/24/496719324.db2.gz MGMLRZOMAJMBLN-ZDUSSCGKSA-N 1 2 374.466 3.145 20 5 FGBDLO C[C@H]1C[N@H+](CCSc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000188322835 496752269 /nfs/dbraw/zinc/75/22/69/496752269.db2.gz UYIOPJJTRICCSC-JTQLQIEISA-N 1 2 361.261 3.170 20 5 FGBDLO C[C@H]1C[N@@H+](CCSc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000188322835 496752272 /nfs/dbraw/zinc/75/22/72/496752272.db2.gz UYIOPJJTRICCSC-JTQLQIEISA-N 1 2 361.261 3.170 20 5 FGBDLO Cc1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000273381285 496789247 /nfs/dbraw/zinc/78/92/47/496789247.db2.gz SWEUALYBOYVOID-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776762 496914767 /nfs/dbraw/zinc/91/47/67/496914767.db2.gz WYBHWTXQQIGBNN-JKIFEVAISA-N 1 2 374.466 3.382 20 5 FGBDLO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000274123864 497021559 /nfs/dbraw/zinc/02/15/59/497021559.db2.gz XKOFEKKUDOUAJG-LBPRGKRZSA-N 1 2 360.439 3.356 20 5 FGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278321387 497073107 /nfs/dbraw/zinc/07/31/07/497073107.db2.gz YCJHNDNEEOXZAI-UHFFFAOYSA-N 1 2 365.386 3.057 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000192453196 497119783 /nfs/dbraw/zinc/11/97/83/497119783.db2.gz XCQBJYIJRHNMRT-JTQLQIEISA-N 1 2 354.382 3.406 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000192453196 497119788 /nfs/dbraw/zinc/11/97/88/497119788.db2.gz XCQBJYIJRHNMRT-JTQLQIEISA-N 1 2 354.382 3.406 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000569238811 505886650 /nfs/dbraw/zinc/88/66/50/505886650.db2.gz QXPHERLLOHDHSI-UHFFFAOYSA-N 1 2 354.414 3.496 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693826 497186861 /nfs/dbraw/zinc/18/68/61/497186861.db2.gz OVULVSWYAWANBZ-MRXNPFEDSA-N 1 2 373.796 3.012 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192693826 497186865 /nfs/dbraw/zinc/18/68/65/497186865.db2.gz OVULVSWYAWANBZ-MRXNPFEDSA-N 1 2 373.796 3.012 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000265815007 497187138 /nfs/dbraw/zinc/18/71/38/497187138.db2.gz QDWUUFPPGVOTMT-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278928906 497270415 /nfs/dbraw/zinc/27/04/15/497270415.db2.gz XEGLFKCGGSTRME-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278928906 497270419 /nfs/dbraw/zinc/27/04/19/497270419.db2.gz XEGLFKCGGSTRME-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO CC[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275536206 497357111 /nfs/dbraw/zinc/35/71/11/497357111.db2.gz RJXKVBNQWBAHER-UHFFFAOYSA-N 1 2 371.387 3.150 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271639609 497406696 /nfs/dbraw/zinc/40/66/96/497406696.db2.gz QXJKWYHTOYCNIS-KZULUSFZSA-N 1 2 357.385 3.404 20 5 FGBDLO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1Oc1cc[nH+]cc1 ZINC000193697344 497449851 /nfs/dbraw/zinc/44/98/51/497449851.db2.gz LKXWBRIGEWLBNT-UHFFFAOYSA-N 1 2 367.365 3.316 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279737759 497526110 /nfs/dbraw/zinc/52/61/10/497526110.db2.gz KGJVNNZFSTUUOI-SWLSCSKDSA-N 1 2 360.414 3.453 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279737759 497526115 /nfs/dbraw/zinc/52/61/15/497526115.db2.gz KGJVNNZFSTUUOI-SWLSCSKDSA-N 1 2 360.414 3.453 20 5 FGBDLO Cc1ccc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000569352371 505915094 /nfs/dbraw/zinc/91/50/94/505915094.db2.gz YZCPXBQPJJGXBG-NSHDSACASA-N 1 2 356.304 3.311 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246214104 497662795 /nfs/dbraw/zinc/66/27/95/497662795.db2.gz FDPLODMEZLLJME-IUODEOHRSA-N 1 2 367.764 3.156 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246214104 497662802 /nfs/dbraw/zinc/66/28/02/497662802.db2.gz FDPLODMEZLLJME-IUODEOHRSA-N 1 2 367.764 3.156 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268059410 497670399 /nfs/dbraw/zinc/67/03/99/497670399.db2.gz SSCJXMKSVWUTPU-HIFRSBDPSA-N 1 2 357.414 3.277 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)C1 ZINC000272594468 497675117 /nfs/dbraw/zinc/67/51/17/497675117.db2.gz GJOPLMFZLKLHGH-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)C1 ZINC000272594468 497675121 /nfs/dbraw/zinc/67/51/21/497675121.db2.gz GJOPLMFZLKLHGH-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301470949 498123267 /nfs/dbraw/zinc/12/32/67/498123267.db2.gz JJBOHSUKDKRXOE-AWEZNQCLSA-N 1 2 369.425 3.172 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cc1 ZINC000301518456 498144007 /nfs/dbraw/zinc/14/40/07/498144007.db2.gz GXZSSZMPRKQVRD-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO Cc1cc(N[C@@H]2CCc3n[nH]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301817249 498276747 /nfs/dbraw/zinc/27/67/47/498276747.db2.gz HURKMLMAFNXSEG-CQSZACIVSA-N 1 2 350.382 3.053 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365267269 498380641 /nfs/dbraw/zinc/38/06/41/498380641.db2.gz PSEVAGPAVIHVPG-UHFFFAOYSA-N 1 2 357.414 3.408 20 5 FGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[S@@]1=O ZINC000286503170 498419049 /nfs/dbraw/zinc/41/90/49/498419049.db2.gz YKTQMPQETDBPAZ-GMAKHKIPSA-N 1 2 374.466 3.096 20 5 FGBDLO Cc1cc(N[C@H](CCO)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302230345 498453394 /nfs/dbraw/zinc/45/33/94/498453394.db2.gz WPUHLMFZUMANBO-OAHLLOKOSA-N 1 2 354.366 3.489 20 5 FGBDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000331995355 498525417 /nfs/dbraw/zinc/52/54/17/498525417.db2.gz XLSMMSZTLJCWNI-UHFFFAOYSA-N 1 2 363.433 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000302881668 498614066 /nfs/dbraw/zinc/61/40/66/498614066.db2.gz IDVFQCQGQMKVJW-UHFFFAOYSA-N 1 2 369.425 3.033 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000302881668 498614071 /nfs/dbraw/zinc/61/40/71/498614071.db2.gz IDVFQCQGQMKVJW-UHFFFAOYSA-N 1 2 369.425 3.033 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295076822 498901416 /nfs/dbraw/zinc/90/14/16/498901416.db2.gz QVUDDUXLGHEPLY-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000283764195 498977675 /nfs/dbraw/zinc/97/76/75/498977675.db2.gz NOBIDTYUYSIBGS-KGLIPLIRSA-N 1 2 365.393 3.290 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000283764195 498977682 /nfs/dbraw/zinc/97/76/82/498977682.db2.gz NOBIDTYUYSIBGS-KGLIPLIRSA-N 1 2 365.393 3.290 20 5 FGBDLO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000295679754 499079491 /nfs/dbraw/zinc/07/94/91/499079491.db2.gz GXCKGFWQPPHUFX-UHFFFAOYSA-N 1 2 354.410 3.189 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)nc2c1 ZINC000364040086 499095392 /nfs/dbraw/zinc/09/53/92/499095392.db2.gz VDGUXGWLQHDNSP-UHFFFAOYSA-N 1 2 369.381 3.376 20 5 FGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCC[C@H]2O1 ZINC000366929777 499118021 /nfs/dbraw/zinc/11/80/21/499118021.db2.gz LTKRSOXJNDHJBS-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCC[C@H]2O1 ZINC000366929777 499118023 /nfs/dbraw/zinc/11/80/23/499118023.db2.gz LTKRSOXJNDHJBS-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO Cc1cc(C2=CC[N@H+](Cc3nc(C4CC4)no3)CC2)cc([N+](=O)[O-])c1N ZINC000369905921 499149314 /nfs/dbraw/zinc/14/93/14/499149314.db2.gz JCVMNMJQAOCWMA-UHFFFAOYSA-N 1 2 355.398 3.035 20 5 FGBDLO Cc1cc(C2=CC[N@@H+](Cc3nc(C4CC4)no3)CC2)cc([N+](=O)[O-])c1N ZINC000369905921 499149317 /nfs/dbraw/zinc/14/93/17/499149317.db2.gz JCVMNMJQAOCWMA-UHFFFAOYSA-N 1 2 355.398 3.035 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000370094041 499179311 /nfs/dbraw/zinc/17/93/11/499179311.db2.gz LQUWEBZRKCDMAX-QGZVFWFLSA-N 1 2 367.833 3.222 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000370094041 499179313 /nfs/dbraw/zinc/17/93/13/499179313.db2.gz LQUWEBZRKCDMAX-QGZVFWFLSA-N 1 2 367.833 3.222 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370324594 499209740 /nfs/dbraw/zinc/20/97/40/499209740.db2.gz KFAPKQDEZUFWMJ-KGLIPLIRSA-N 1 2 372.400 3.018 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370710545 499246865 /nfs/dbraw/zinc/24/68/65/499246865.db2.gz XMNFCKSWEYCLQO-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370710545 499246867 /nfs/dbraw/zinc/24/68/67/499246867.db2.gz XMNFCKSWEYCLQO-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370965392 499275799 /nfs/dbraw/zinc/27/57/99/499275799.db2.gz NLGURPLGFPGODB-GOEBONIOSA-N 1 2 371.441 3.346 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnc(Cl)c3Cl)CC2)n1 ZINC000368228471 499276061 /nfs/dbraw/zinc/27/60/61/499276061.db2.gz WYNUSNGRMIZNTN-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368403836 499292798 /nfs/dbraw/zinc/29/27/98/499292798.db2.gz STMMQGHUYMWICB-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000371471371 499331482 /nfs/dbraw/zinc/33/14/82/499331482.db2.gz TXSKGQXVYKOWOG-IUODEOHRSA-N 1 2 360.439 3.173 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372247410 499412855 /nfs/dbraw/zinc/41/28/55/499412855.db2.gz ABQRDLQATKKPBW-KBPBESRZSA-N 1 2 374.466 3.274 20 5 FGBDLO CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000372252179 499413480 /nfs/dbraw/zinc/41/34/80/499413480.db2.gz RDPARBJEHIADNW-RDJZCZTQSA-N 1 2 371.441 3.428 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372340841 499422728 /nfs/dbraw/zinc/42/27/28/499422728.db2.gz VROCNQNVXSSOPK-GFCCVEGCSA-N 1 2 360.439 3.070 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)c1 ZINC000373585703 499478307 /nfs/dbraw/zinc/47/83/07/499478307.db2.gz NZRWVIWFXPULRG-ZDUSSCGKSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)c1 ZINC000373585703 499478308 /nfs/dbraw/zinc/47/83/08/499478308.db2.gz NZRWVIWFXPULRG-ZDUSSCGKSA-N 1 2 371.372 3.423 20 5 FGBDLO Cc1c(CC(=O)NCc2cccc(-c3[nH+]ccn3C)c2)cccc1[N+](=O)[O-] ZINC000378380870 499509571 /nfs/dbraw/zinc/50/95/71/499509571.db2.gz CRIGTTILTVWIPE-UHFFFAOYSA-N 1 2 364.405 3.163 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375438697 499518753 /nfs/dbraw/zinc/51/87/53/499518753.db2.gz PHPMNOIWVDEAMI-UKRRQHHQSA-N 1 2 354.410 3.318 20 5 FGBDLO Cc1c(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000392537751 499558763 /nfs/dbraw/zinc/55/87/63/499558763.db2.gz GXQZOCXYAMYXGM-UHFFFAOYSA-N 1 2 368.842 3.250 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000375896417 499565876 /nfs/dbraw/zinc/56/58/76/499565876.db2.gz WQZHFZDGDWFFCH-GFCCVEGCSA-N 1 2 366.377 3.286 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411261946 499718562 /nfs/dbraw/zinc/71/85/62/499718562.db2.gz RXNQSGVPHKWOMR-ZWKOTPCHSA-N 1 2 366.421 3.010 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411393431 499733629 /nfs/dbraw/zinc/73/36/29/499733629.db2.gz SOAHLTUXJMGJBE-RBUKOAKNSA-N 1 2 369.396 3.048 20 5 FGBDLO Cn1ncc2c1CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000411849136 499796940 /nfs/dbraw/zinc/79/69/40/499796940.db2.gz ISZWSJQEBGEIFN-UHFFFAOYSA-N 1 2 354.332 3.296 20 5 FGBDLO Cn1ncc2c1CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000411849136 499796942 /nfs/dbraw/zinc/79/69/42/499796942.db2.gz ISZWSJQEBGEIFN-UHFFFAOYSA-N 1 2 354.332 3.296 20 5 FGBDLO COc1ccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000411900699 499802355 /nfs/dbraw/zinc/80/23/55/499802355.db2.gz CIKLMTIUMLNMAD-LBPRGKRZSA-N 1 2 350.415 3.298 20 5 FGBDLO COc1ccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000411900699 499802356 /nfs/dbraw/zinc/80/23/56/499802356.db2.gz CIKLMTIUMLNMAD-LBPRGKRZSA-N 1 2 350.415 3.298 20 5 FGBDLO O=C1C[C@]2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411975260 499808264 /nfs/dbraw/zinc/80/82/64/499808264.db2.gz BFZMEKPCCAJKHS-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@]2(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411975260 499808265 /nfs/dbraw/zinc/80/82/65/499808265.db2.gz BFZMEKPCCAJKHS-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033327 499815150 /nfs/dbraw/zinc/81/51/50/499815150.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033327 499815151 /nfs/dbraw/zinc/81/51/51/499815151.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000412033327 499815153 /nfs/dbraw/zinc/81/51/53/499815153.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000412033327 499815154 /nfs/dbraw/zinc/81/51/54/499815154.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000412033327 499815155 /nfs/dbraw/zinc/81/51/55/499815155.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000412033327 499815157 /nfs/dbraw/zinc/81/51/57/499815157.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1cc(NCc2noc3c2CCCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000582233655 506165054 /nfs/dbraw/zinc/16/50/54/506165054.db2.gz UWYBFDIEEQWBKP-UHFFFAOYSA-N 1 2 365.393 3.261 20 5 FGBDLO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000413212211 499927510 /nfs/dbraw/zinc/92/75/10/499927510.db2.gz IJGSPTNPTUWPLV-LSDHHAIUSA-N 1 2 352.316 3.264 20 5 FGBDLO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000413212211 499927511 /nfs/dbraw/zinc/92/75/11/499927511.db2.gz IJGSPTNPTUWPLV-LSDHHAIUSA-N 1 2 352.316 3.264 20 5 FGBDLO Cc1cc(N2CCC(Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000413255654 499933451 /nfs/dbraw/zinc/93/34/51/499933451.db2.gz JWNCSCHYSBPFPY-UHFFFAOYSA-N 1 2 352.398 3.255 20 5 FGBDLO Cn1nccc1[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413320744 499941106 /nfs/dbraw/zinc/94/11/06/499941106.db2.gz QGQPBPAEUTZZQA-SUMWQHHRSA-N 1 2 353.382 3.209 20 5 FGBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000413326209 499941525 /nfs/dbraw/zinc/94/15/25/499941525.db2.gz KTDLUJCTCPTVAB-GVDBMIGSSA-N 1 2 353.382 3.170 20 5 FGBDLO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000425433631 500105159 /nfs/dbraw/zinc/10/51/59/500105159.db2.gz NVSOBQKKTCCABS-LBPRGKRZSA-N 1 2 355.188 3.428 20 5 FGBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000425489992 500122009 /nfs/dbraw/zinc/12/20/09/500122009.db2.gz OQGMKZYIKGMRQG-QMMMGPOBSA-N 1 2 355.803 3.342 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000421737177 500135644 /nfs/dbraw/zinc/13/56/44/500135644.db2.gz ILQGNJQRONOTOV-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430250603 500214852 /nfs/dbraw/zinc/21/48/52/500214852.db2.gz AUPLKMAMRQTCQF-YZVOILCLSA-N 1 2 364.442 3.152 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430250603 500214854 /nfs/dbraw/zinc/21/48/54/500214854.db2.gz AUPLKMAMRQTCQF-YZVOILCLSA-N 1 2 364.442 3.152 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000576551231 506184370 /nfs/dbraw/zinc/18/43/70/506184370.db2.gz ODQCGAIPNXKBFW-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO [NH3+]C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCCCC1 ZINC000424338532 500488836 /nfs/dbraw/zinc/48/88/36/500488836.db2.gz ALUDHTZDHMJUIK-UHFFFAOYSA-N 1 2 354.370 3.153 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2ccsc2C1 ZINC000447817351 500668889 /nfs/dbraw/zinc/66/88/89/500668889.db2.gz NPHQCAOFNSGNPQ-UHFFFAOYSA-N 1 2 359.451 3.051 20 5 FGBDLO CC1(C)C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000447816076 500669042 /nfs/dbraw/zinc/66/90/42/500669042.db2.gz HTEVPGYTWXPRMJ-QGZVFWFLSA-N 1 2 363.458 3.185 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000448630476 500789894 /nfs/dbraw/zinc/78/98/94/500789894.db2.gz ONBVBDZMKMWYKK-LBPRGKRZSA-N 1 2 368.315 3.195 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC(F)F)C3)co2)cc1 ZINC000611580054 506222171 /nfs/dbraw/zinc/22/21/71/506222171.db2.gz QITQNHVUBVCDIL-AWEZNQCLSA-N 1 2 353.325 3.453 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](OC(F)F)C3)co2)cc1 ZINC000611580054 506222177 /nfs/dbraw/zinc/22/21/77/506222177.db2.gz QITQNHVUBVCDIL-AWEZNQCLSA-N 1 2 353.325 3.453 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000444831559 500908912 /nfs/dbraw/zinc/90/89/12/500908912.db2.gz CNMLGMAEJQOKIQ-UHFFFAOYSA-N 1 2 362.817 3.400 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000439869128 500948437 /nfs/dbraw/zinc/94/84/37/500948437.db2.gz IJVWYEPXGHSPDH-UHFFFAOYSA-N 1 2 369.381 3.005 20 5 FGBDLO COc1cccc(C(F)(F)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449320440 500976989 /nfs/dbraw/zinc/97/69/89/500976989.db2.gz IPQFZUAHQFJXIB-LBPRGKRZSA-N 1 2 351.353 3.311 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000436417974 501123359 /nfs/dbraw/zinc/12/33/59/501123359.db2.gz UTEWDYXQDYQTHP-QPJJXVBHSA-N 1 2 367.384 3.177 20 5 FGBDLO CC(C)[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000596069631 506239644 /nfs/dbraw/zinc/23/96/44/506239644.db2.gz HFRODFCXZUUYCK-MRXNPFEDSA-N 1 2 374.407 3.298 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829348 501214838 /nfs/dbraw/zinc/21/48/38/501214838.db2.gz MFOXLLKAMQLOTJ-VIFPVBQESA-N 1 2 354.208 3.450 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000436894003 501228645 /nfs/dbraw/zinc/22/86/45/501228645.db2.gz REQDPNROKMPTAF-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000436894003 501228647 /nfs/dbraw/zinc/22/86/47/501228647.db2.gz REQDPNROKMPTAF-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645126 506242605 /nfs/dbraw/zinc/24/26/05/506242605.db2.gz TXMMXRVGXVMIHZ-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645126 506242606 /nfs/dbraw/zinc/24/26/06/506242606.db2.gz TXMMXRVGXVMIHZ-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451259035 501255767 /nfs/dbraw/zinc/25/57/67/501255767.db2.gz HKVLUTIEJLIXJI-DNVCBOLYSA-N 1 2 371.368 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451259035 501255768 /nfs/dbraw/zinc/25/57/68/501255768.db2.gz HKVLUTIEJLIXJI-DNVCBOLYSA-N 1 2 371.368 3.036 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)C(F)(F)F ZINC000451563195 501325305 /nfs/dbraw/zinc/32/53/05/501325305.db2.gz DJTVRFINZBPJOU-SNVBAGLBSA-N 1 2 356.304 3.193 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000453573382 501351312 /nfs/dbraw/zinc/35/13/12/501351312.db2.gz GVHBKMKHEKKJMA-UHFFFAOYSA-N 1 2 373.482 3.426 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000453579779 501352997 /nfs/dbraw/zinc/35/29/97/501352997.db2.gz SHQRXORLPDAQLK-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000453583242 501354022 /nfs/dbraw/zinc/35/40/22/501354022.db2.gz XKSQIQGPECFKDH-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456398608 501517809 /nfs/dbraw/zinc/51/78/09/501517809.db2.gz CKGHITZKKUTPNH-KWQFWETISA-N 1 2 354.288 3.246 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC000602679493 506259085 /nfs/dbraw/zinc/25/90/85/506259085.db2.gz FNXRPMMTRCOQQO-ZDUSSCGKSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC000602679493 506259091 /nfs/dbraw/zinc/25/90/91/506259091.db2.gz FNXRPMMTRCOQQO-ZDUSSCGKSA-N 1 2 361.261 3.421 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459062250 501585814 /nfs/dbraw/zinc/58/58/14/501585814.db2.gz QPTRMSSYRHNYPA-ZDUSSCGKSA-N 1 2 357.414 3.246 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459097237 501593667 /nfs/dbraw/zinc/59/36/67/501593667.db2.gz DTWXSDZHFHJBMI-XJKSGUPXSA-N 1 2 357.414 3.417 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000457296831 501678008 /nfs/dbraw/zinc/67/80/08/501678008.db2.gz TUUBJWJSWQJQOL-UHFFFAOYSA-N 1 2 352.441 3.087 20 5 FGBDLO CSc1cccc(C(=O)Nc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000457314884 501680481 /nfs/dbraw/zinc/68/04/81/501680481.db2.gz NTNASXLZLRBSGT-UHFFFAOYSA-N 1 2 352.441 3.087 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485747770 501923232 /nfs/dbraw/zinc/92/32/32/501923232.db2.gz WCBBPJAEZXZCSR-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485747770 501923238 /nfs/dbraw/zinc/92/32/38/501923238.db2.gz WCBBPJAEZXZCSR-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CN(Cc1nnc2n1CCCCC2)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599022473 506282464 /nfs/dbraw/zinc/28/24/64/506282464.db2.gz LFWAKNXHKIVEAT-UHFFFAOYSA-N 1 2 352.398 3.097 20 5 FGBDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)[NH+]2CCOCC2)c1 ZINC000471252364 501968436 /nfs/dbraw/zinc/96/84/36/501968436.db2.gz XSDKFICIOGBWGU-KRWDZBQOSA-N 1 2 374.416 3.110 20 5 FGBDLO COc1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc([N+](=O)[O-])c1C ZINC000478595397 502027955 /nfs/dbraw/zinc/02/79/55/502027955.db2.gz SICVKFKSJWXPAP-UHFFFAOYSA-N 1 2 374.784 3.143 20 5 FGBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000482722924 502161493 /nfs/dbraw/zinc/16/14/93/502161493.db2.gz KPIYNPMZUHKIJQ-UHFFFAOYSA-N 1 2 353.338 3.007 20 5 FGBDLO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000468858102 502208959 /nfs/dbraw/zinc/20/89/59/502208959.db2.gz GQRGJZBAHXSUGA-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO CCc1ccc([C@H]([NH2+]Cc2cnnn2CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599061974 506303076 /nfs/dbraw/zinc/30/30/76/506303076.db2.gz NAQCPCHBNCNRPB-GOSISDBHSA-N 1 2 355.398 3.241 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC000599067078 506306755 /nfs/dbraw/zinc/30/67/55/506306755.db2.gz XQVYOLBWZIOZNE-AWEZNQCLSA-N 1 2 357.410 3.165 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000487593222 502487041 /nfs/dbraw/zinc/48/70/41/502487041.db2.gz RJGRWQNNYWEQFL-UHFFFAOYSA-N 1 2 360.439 3.195 20 5 FGBDLO Cc1cc(N2CCC[C@H]2c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599105538 506324805 /nfs/dbraw/zinc/32/48/05/506324805.db2.gz CUXNHASZPFNTIQ-INIZCTEOSA-N 1 2 350.382 3.425 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000488149605 502639891 /nfs/dbraw/zinc/63/98/91/502639891.db2.gz UGXIQXPCRMUFMS-UHFFFAOYSA-N 1 2 365.393 3.202 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000505074529 502848570 /nfs/dbraw/zinc/84/85/70/502848570.db2.gz UQUBZKBLJUSKHJ-UHFFFAOYSA-N 1 2 366.377 3.144 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1 ZINC000593016114 506338724 /nfs/dbraw/zinc/33/87/24/506338724.db2.gz HYIPWYYHEOHVRT-SFHVURJKSA-N 1 2 357.410 3.447 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2c2cccn2C)c1 ZINC000593016114 506338729 /nfs/dbraw/zinc/33/87/29/506338729.db2.gz HYIPWYYHEOHVRT-SFHVURJKSA-N 1 2 357.410 3.447 20 5 FGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000509407413 502894055 /nfs/dbraw/zinc/89/40/55/502894055.db2.gz JUSWXVVUDXKDMH-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000509407413 502894057 /nfs/dbraw/zinc/89/40/57/502894057.db2.gz JUSWXVVUDXKDMH-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000588807458 506343130 /nfs/dbraw/zinc/34/31/30/506343130.db2.gz IIRNIQSEGIYOBS-OAHLLOKOSA-N 1 2 370.413 3.063 20 5 FGBDLO COc1cccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000489634429 503001612 /nfs/dbraw/zinc/00/16/12/503001612.db2.gz ZGPSOVRBMGJJAI-UHFFFAOYSA-N 1 2 352.394 3.485 20 5 FGBDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513707446 503005448 /nfs/dbraw/zinc/00/54/48/503005448.db2.gz DARUMUCDZXCBIG-CXAGYDPISA-N 1 2 374.441 3.128 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513763314 503018889 /nfs/dbraw/zinc/01/88/89/503018889.db2.gz XGDVLSAMBYQHLS-KRWDZBQOSA-N 1 2 358.348 3.486 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510093443 503047986 /nfs/dbraw/zinc/04/79/86/503047986.db2.gz IEINHLNXWGLYDE-UHFFFAOYSA-N 1 2 357.357 3.100 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000501722845 503067468 /nfs/dbraw/zinc/06/74/68/503067468.db2.gz XZWIWARICLAJIM-UXBLZVDNSA-N 1 2 361.405 3.423 20 5 FGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000489977966 503080580 /nfs/dbraw/zinc/08/05/80/503080580.db2.gz DDNUEJYFXVSMIX-UHFFFAOYSA-N 1 2 372.406 3.233 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000507827273 503374757 /nfs/dbraw/zinc/37/47/57/503374757.db2.gz RQZRSSKHVWXAQM-LBPRGKRZSA-N 1 2 371.397 3.030 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511872209 503404813 /nfs/dbraw/zinc/40/48/13/503404813.db2.gz ALLOHSRPNWYDGH-UHFFFAOYSA-N 1 2 354.391 3.350 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000493519868 503430971 /nfs/dbraw/zinc/43/09/71/503430971.db2.gz DXSIMCFXHQUACJ-KFWWJZLASA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000493519868 503430974 /nfs/dbraw/zinc/43/09/74/503430974.db2.gz DXSIMCFXHQUACJ-KFWWJZLASA-N 1 2 367.877 3.322 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000494678787 503590559 /nfs/dbraw/zinc/59/05/59/503590559.db2.gz CDBJWFVLEMNXJF-UHFFFAOYSA-N 1 2 366.377 3.470 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)C2 ZINC000527251335 503739468 /nfs/dbraw/zinc/73/94/68/503739468.db2.gz HQEQRVNCCWXHMQ-ZDUSSCGKSA-N 1 2 368.437 3.131 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)CC2 ZINC000527251335 503739473 /nfs/dbraw/zinc/73/94/73/503739473.db2.gz HQEQRVNCCWXHMQ-ZDUSSCGKSA-N 1 2 368.437 3.131 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246187 503774954 /nfs/dbraw/zinc/77/49/54/503774954.db2.gz GGEIKDCYPVGPIH-UHFFFAOYSA-N 1 2 368.437 3.054 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246187 503774959 /nfs/dbraw/zinc/77/49/59/503774959.db2.gz GGEIKDCYPVGPIH-UHFFFAOYSA-N 1 2 368.437 3.054 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnn(Cc3[nH+]ccn3CC(F)(F)F)c2)c1 ZINC000540859703 503915504 /nfs/dbraw/zinc/91/55/04/503915504.db2.gz MJJKVDNSRZIIGE-UHFFFAOYSA-N 1 2 351.288 3.265 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000530374740 503942147 /nfs/dbraw/zinc/94/21/47/503942147.db2.gz BWNQFPWYPXXRFJ-ZIAGYGMSSA-N 1 2 357.414 3.359 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000534514001 504162205 /nfs/dbraw/zinc/16/22/05/504162205.db2.gz ZWZBEGLAKFZEPO-MRXNPFEDSA-N 1 2 367.449 3.447 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000534514001 504162208 /nfs/dbraw/zinc/16/22/08/504162208.db2.gz ZWZBEGLAKFZEPO-MRXNPFEDSA-N 1 2 367.449 3.447 20 5 FGBDLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000531459544 504313655 /nfs/dbraw/zinc/31/36/55/504313655.db2.gz CNIBZDNSAHNUAA-AWEZNQCLSA-N 1 2 352.394 3.279 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000548744597 504548924 /nfs/dbraw/zinc/54/89/24/504548924.db2.gz ZHXLDSFFEHCXHX-INIZCTEOSA-N 1 2 369.356 3.379 20 5 FGBDLO Cc1cccn2cc(CS(=O)(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000520667420 504552808 /nfs/dbraw/zinc/55/28/08/504552808.db2.gz JRUFYOYMDODASQ-ZDUSSCGKSA-N 1 2 359.407 3.227 20 5 FGBDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000536005737 504604788 /nfs/dbraw/zinc/60/47/88/504604788.db2.gz KHJZHAFSOIZITG-OAQYLSRUSA-N 1 2 367.449 3.466 20 5 FGBDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000536005737 504604794 /nfs/dbraw/zinc/60/47/94/504604794.db2.gz KHJZHAFSOIZITG-OAQYLSRUSA-N 1 2 367.449 3.466 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000542944789 504668124 /nfs/dbraw/zinc/66/81/24/504668124.db2.gz ASWZISUUPWMSAL-CYBMUJFWSA-N 1 2 356.378 3.244 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000542944789 504668126 /nfs/dbraw/zinc/66/81/26/504668126.db2.gz ASWZISUUPWMSAL-CYBMUJFWSA-N 1 2 356.378 3.244 20 5 FGBDLO COc1cc2c(cc1F)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000539738183 504671405 /nfs/dbraw/zinc/67/14/05/504671405.db2.gz RRDDDDUYTJBZLV-UHFFFAOYSA-N 1 2 374.368 3.167 20 5 FGBDLO COc1cc2c(cc1F)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000539738183 504671407 /nfs/dbraw/zinc/67/14/07/504671407.db2.gz RRDDDDUYTJBZLV-UHFFFAOYSA-N 1 2 374.368 3.167 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@]1=O ZINC000521477354 504744966 /nfs/dbraw/zinc/74/49/66/504744966.db2.gz IHTLYMPBSVJQKI-DAOPMYJZSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@]1=O ZINC000521477354 504744970 /nfs/dbraw/zinc/74/49/70/504744970.db2.gz IHTLYMPBSVJQKI-DAOPMYJZSA-N 1 2 350.465 3.276 20 5 FGBDLO Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c[nH+]1 ZINC000536574994 504763866 /nfs/dbraw/zinc/76/38/66/504763866.db2.gz AGXNLZMCYXESML-UHFFFAOYSA-N 1 2 354.391 3.404 20 5 FGBDLO Cn1c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000550161321 504981624 /nfs/dbraw/zinc/98/16/24/504981624.db2.gz JWVURFKGBNIDCI-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC[C@H]3CC3CCC3)o2)cc1 ZINC000550504589 505056087 /nfs/dbraw/zinc/05/60/87/505056087.db2.gz LNEDNPZGCVWOOK-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC[C@H]3CC3CCC3)o2)cc1 ZINC000550504589 505056090 /nfs/dbraw/zinc/05/60/90/505056090.db2.gz LNEDNPZGCVWOOK-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000557426042 505131270 /nfs/dbraw/zinc/13/12/70/505131270.db2.gz BBPNMMZRYOFSPF-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000561109398 505253150 /nfs/dbraw/zinc/25/31/50/505253150.db2.gz ZWCJMLHAVKBYNN-UHFFFAOYSA-N 1 2 354.395 3.370 20 5 FGBDLO CCc1noc(CC)c1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552268474 505446124 /nfs/dbraw/zinc/44/61/24/505446124.db2.gz KSWIOFJBNOTNBQ-GOSISDBHSA-N 1 2 369.425 3.320 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000552355457 505471221 /nfs/dbraw/zinc/47/12/21/505471221.db2.gz ONXZKRBNHJRWRZ-UHFFFAOYSA-N 1 2 367.449 3.478 20 5 FGBDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000555742570 505505234 /nfs/dbraw/zinc/50/52/34/505505234.db2.gz UGSXAEGHGFVICS-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000552713317 505541353 /nfs/dbraw/zinc/54/13/53/505541353.db2.gz QLUNQKPYUQQRCY-UHFFFAOYSA-N 1 2 350.378 3.095 20 5 FGBDLO Cc1cc(N2CCC[C@H](C)[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596440602 506405671 /nfs/dbraw/zinc/40/56/71/506405671.db2.gz DOBDVNCVCGQGPN-SUMWQHHRSA-N 1 2 356.426 3.348 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000599421314 506449964 /nfs/dbraw/zinc/44/99/64/506449964.db2.gz CDVNBVXQAWJGPD-CYBMUJFWSA-N 1 2 374.441 3.310 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000589186646 506475140 /nfs/dbraw/zinc/47/51/40/506475140.db2.gz KKJSYMVIDASSBF-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)o1 ZINC000589186646 506475145 /nfs/dbraw/zinc/47/51/45/506475145.db2.gz KKJSYMVIDASSBF-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccncc1 ZINC000596590199 506476405 /nfs/dbraw/zinc/47/64/05/506476405.db2.gz CSHKHRDYVBSRRA-ROUUACIJSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccncc1 ZINC000596590199 506476410 /nfs/dbraw/zinc/47/64/10/506476410.db2.gz CSHKHRDYVBSRRA-ROUUACIJSA-N 1 2 366.421 3.178 20 5 FGBDLO COCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599506743 506476795 /nfs/dbraw/zinc/47/67/95/506476795.db2.gz GRXPSELNFDGBFA-LBPRGKRZSA-N 1 2 369.849 3.324 20 5 FGBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000589206333 506485302 /nfs/dbraw/zinc/48/53/02/506485302.db2.gz UGHJRINCODYONM-HNNXBMFYSA-N 1 2 368.437 3.073 20 5 FGBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000589206333 506485305 /nfs/dbraw/zinc/48/53/05/506485305.db2.gz UGHJRINCODYONM-HNNXBMFYSA-N 1 2 368.437 3.073 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000582915912 506487670 /nfs/dbraw/zinc/48/76/70/506487670.db2.gz SOZOAJYWJRLXJL-QGZVFWFLSA-N 1 2 367.384 3.151 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000596651271 506511279 /nfs/dbraw/zinc/51/12/79/506511279.db2.gz LOZJTWPNIOTKEY-MOPGFXCFSA-N 1 2 363.421 3.277 20 5 FGBDLO COCC[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494470 506567747 /nfs/dbraw/zinc/56/77/47/506567747.db2.gz POEMQKBIXABGLQ-UHFFFAOYSA-N 1 2 358.394 3.030 20 5 FGBDLO COCC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494470 506567755 /nfs/dbraw/zinc/56/77/55/506567755.db2.gz POEMQKBIXABGLQ-UHFFFAOYSA-N 1 2 358.394 3.030 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000589511313 506574053 /nfs/dbraw/zinc/57/40/53/506574053.db2.gz CYLQQEYAXUMAAB-SFHVURJKSA-N 1 2 362.426 3.163 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000589511313 506574058 /nfs/dbraw/zinc/57/40/58/506574058.db2.gz CYLQQEYAXUMAAB-SFHVURJKSA-N 1 2 362.426 3.163 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000612477050 506593273 /nfs/dbraw/zinc/59/32/73/506593273.db2.gz WPGAHUOMVNIFOQ-ZDUSSCGKSA-N 1 2 370.384 3.152 20 5 FGBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000603838444 506628407 /nfs/dbraw/zinc/62/84/07/506628407.db2.gz MANNTCAXSKIHSS-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593467445 506636881 /nfs/dbraw/zinc/63/68/81/506636881.db2.gz MRWHJTCFBMQDPS-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CCCCC3)C1)OCCO2 ZINC000612596485 506643425 /nfs/dbraw/zinc/64/34/25/506643425.db2.gz ZBMTXRSCDTZIAC-LJQANCHMSA-N 1 2 362.426 3.147 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@@H](C3CCCCC3)C1)OCCO2 ZINC000612596485 506643435 /nfs/dbraw/zinc/64/34/35/506643435.db2.gz ZBMTXRSCDTZIAC-LJQANCHMSA-N 1 2 362.426 3.147 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596912563 506672734 /nfs/dbraw/zinc/67/27/34/506672734.db2.gz JPAGIEVHGDNMDF-UHFFFAOYSA-N 1 2 369.425 3.474 20 5 FGBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000608811243 506715894 /nfs/dbraw/zinc/71/58/94/506715894.db2.gz ISBBGXMGKFJTMO-UHFFFAOYSA-N 1 2 370.413 3.339 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1[N+](=O)[O-] ZINC000593688834 506732491 /nfs/dbraw/zinc/73/24/91/506732491.db2.gz QEUWWSGCEBMQKP-FXFTYNISSA-N 1 2 371.462 3.068 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1[N+](=O)[O-] ZINC000593688834 506732499 /nfs/dbraw/zinc/73/24/99/506732499.db2.gz QEUWWSGCEBMQKP-FXFTYNISSA-N 1 2 371.462 3.068 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599992631 506739993 /nfs/dbraw/zinc/73/99/93/506739993.db2.gz ZPRPQOMBXRVMGV-SECBINFHSA-N 1 2 367.203 3.065 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590216002 506765856 /nfs/dbraw/zinc/76/58/56/506765856.db2.gz ICAYPGXCPHLHOY-LBPRGKRZSA-N 1 2 368.315 3.287 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000590380609 506806711 /nfs/dbraw/zinc/80/67/11/506806711.db2.gz SQGRWKLHYJUVGW-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO COc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])cc1C ZINC000590571367 506864928 /nfs/dbraw/zinc/86/49/28/506864928.db2.gz BKAQQLUOEDDYNI-AWEZNQCLSA-N 1 2 372.425 3.144 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590626718 506886992 /nfs/dbraw/zinc/88/69/92/506886992.db2.gz AYDWDWNRVWTDMA-UHFFFAOYSA-N 1 2 356.304 3.195 20 5 FGBDLO CC(C)n1cc(C2=CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nn1 ZINC000590659204 506899455 /nfs/dbraw/zinc/89/94/55/506899455.db2.gz WZWCICSGYRPCSI-UHFFFAOYSA-N 1 2 357.414 3.152 20 5 FGBDLO CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nn1 ZINC000590659204 506899461 /nfs/dbraw/zinc/89/94/61/506899461.db2.gz WZWCICSGYRPCSI-UHFFFAOYSA-N 1 2 357.414 3.152 20 5 FGBDLO CC(C)OC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000590682517 506907362 /nfs/dbraw/zinc/90/73/62/506907362.db2.gz KJKDBYJNYOWRSM-UHFFFAOYSA-N 1 2 372.425 3.247 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057430 506912260 /nfs/dbraw/zinc/91/22/60/506912260.db2.gz DHLLXRCWGGSNEQ-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057430 506912266 /nfs/dbraw/zinc/91/22/66/506912266.db2.gz DHLLXRCWGGSNEQ-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO CN(CC(=O)N(C)C1CCCCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591146226 507131228 /nfs/dbraw/zinc/13/12/28/507131228.db2.gz KDHGDAWCLPNCHU-UHFFFAOYSA-N 1 2 356.426 3.370 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594521912 507170601 /nfs/dbraw/zinc/17/06/01/507170601.db2.gz VPVFMHFZCDPIGI-QZTJIDSGSA-N 1 2 370.453 3.499 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000610293958 507181519 /nfs/dbraw/zinc/18/15/19/507181519.db2.gz OWDOCDKYXHPSHH-UHFFFAOYSA-N 1 2 356.304 3.020 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000610304421 507185928 /nfs/dbraw/zinc/18/59/28/507185928.db2.gz DDOAKYYBFNHJAM-SFHVURJKSA-N 1 2 364.405 3.351 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597939843 507188004 /nfs/dbraw/zinc/18/80/04/507188004.db2.gz CQUCBXFOPRBHJK-UHFFFAOYSA-N 1 2 374.828 3.482 20 5 FGBDLO Cc1noc([C@H](C)N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000594603421 507204826 /nfs/dbraw/zinc/20/48/26/507204826.db2.gz WRDMGRXBQSVOKH-NSHDSACASA-N 1 2 354.370 3.249 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000600999352 507220478 /nfs/dbraw/zinc/22/04/78/507220478.db2.gz WINUITKPDHQXOS-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c2c(c1)COCO2 ZINC000601166608 507284413 /nfs/dbraw/zinc/28/44/13/507284413.db2.gz PSEVUQADTINGCB-INIZCTEOSA-N 1 2 350.321 3.401 20 5 FGBDLO C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000601314645 507333660 /nfs/dbraw/zinc/33/36/60/507333660.db2.gz MGRWAKRAIOTUTI-QAPCUYQASA-N 1 2 368.437 3.323 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3nccn3C)o2)c([N+](=O)[O-])c1 ZINC000594996695 507346675 /nfs/dbraw/zinc/34/66/75/507346675.db2.gz VBZGBTCDCJYYHZ-LBPRGKRZSA-N 1 2 356.382 3.448 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000595004250 507350371 /nfs/dbraw/zinc/35/03/71/507350371.db2.gz QLHOUKKWCMIVHD-STQMWFEESA-N 1 2 359.430 3.333 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000595025642 507360750 /nfs/dbraw/zinc/36/07/50/507360750.db2.gz IMBCKWKSLDXDSK-ZDUSSCGKSA-N 1 2 358.398 3.008 20 5 FGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595093348 507387956 /nfs/dbraw/zinc/38/79/56/507387956.db2.gz ABLWSYHJCCLUFF-ZWKOTPCHSA-N 1 2 358.442 3.213 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459210 507434736 /nfs/dbraw/zinc/43/47/36/507434736.db2.gz FPGPWGIQPUYBDE-UONOGXRCSA-N 1 2 371.441 3.056 20 5 FGBDLO CC(C)(C)C(F)(F)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598464110 507435877 /nfs/dbraw/zinc/43/58/77/507435877.db2.gz GDMVTZUVFGOHLR-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595310081 507455925 /nfs/dbraw/zinc/45/59/25/507455925.db2.gz SYZPOXFZODRJPW-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COC(=O)c1ccnc(Nc2ccc([NH+]3CCCC3)cc2C)c1[N+](=O)[O-] ZINC000598587390 507508870 /nfs/dbraw/zinc/50/88/70/507508870.db2.gz PTAUYFLQKZYGNA-UHFFFAOYSA-N 1 2 356.382 3.429 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c(Cl)c1 ZINC000598643007 507529093 /nfs/dbraw/zinc/52/90/93/507529093.db2.gz LOUAGCIIQSBVTJ-INIZCTEOSA-N 1 2 366.826 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973633 507534192 /nfs/dbraw/zinc/53/41/92/507534192.db2.gz SDFKEWSXXOBKFT-LBPRGKRZSA-N 1 2 354.275 3.470 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973633 507534199 /nfs/dbraw/zinc/53/41/99/507534199.db2.gz SDFKEWSXXOBKFT-LBPRGKRZSA-N 1 2 354.275 3.470 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276566 507600496 /nfs/dbraw/zinc/60/04/96/507600496.db2.gz LTATZCGGFCPBTE-AOOOYVTPSA-N 1 2 358.238 3.473 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276566 507600504 /nfs/dbraw/zinc/60/05/04/507600504.db2.gz LTATZCGGFCPBTE-AOOOYVTPSA-N 1 2 358.238 3.473 20 5 FGBDLO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764402 507673975 /nfs/dbraw/zinc/67/39/75/507673975.db2.gz HYJGOWMYBQHGPB-HXUWFJFHSA-N 1 2 369.421 3.206 20 5 FGBDLO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764402 507673980 /nfs/dbraw/zinc/67/39/80/507673980.db2.gz HYJGOWMYBQHGPB-HXUWFJFHSA-N 1 2 369.421 3.206 20 5 FGBDLO Cn1cc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602449627 507714771 /nfs/dbraw/zinc/71/47/71/507714771.db2.gz PXOSENIWHHSSOF-UHFFFAOYSA-N 1 2 373.240 3.020 20 5 FGBDLO Cn1cc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602449627 507714775 /nfs/dbraw/zinc/71/47/75/507714775.db2.gz PXOSENIWHHSSOF-UHFFFAOYSA-N 1 2 373.240 3.020 20 5 FGBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602451089 507715077 /nfs/dbraw/zinc/71/50/77/507715077.db2.gz ZWQWJGPMGOATRJ-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602451089 507715082 /nfs/dbraw/zinc/71/50/82/507715082.db2.gz ZWQWJGPMGOATRJ-UHFFFAOYSA-N 1 2 373.375 3.304 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521375 507721135 /nfs/dbraw/zinc/72/11/35/507721135.db2.gz BGZZVWBEJBKIAM-ZYHUDNBSSA-N 1 2 362.348 3.427 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521375 507721138 /nfs/dbraw/zinc/72/11/38/507721138.db2.gz BGZZVWBEJBKIAM-ZYHUDNBSSA-N 1 2 362.348 3.427 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602485688 507721903 /nfs/dbraw/zinc/72/19/03/507721903.db2.gz KZATWPKIYIAPOT-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602485688 507721908 /nfs/dbraw/zinc/72/19/08/507721908.db2.gz KZATWPKIYIAPOT-VNQPRFMTSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554725 507735356 /nfs/dbraw/zinc/73/53/56/507735356.db2.gz XCMWHMSRFCTGPW-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554725 507735363 /nfs/dbraw/zinc/73/53/63/507735363.db2.gz XCMWHMSRFCTGPW-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO CC(C)c1nnc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000611560758 507738983 /nfs/dbraw/zinc/73/89/83/507738983.db2.gz PLZGPFXVSKVHEX-HNNXBMFYSA-N 1 2 372.454 3.182 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611560820 507739312 /nfs/dbraw/zinc/73/93/12/507739312.db2.gz FKAJXPMDPCOWLD-KRWDZBQOSA-N 1 2 352.398 3.136 20 5 FGBDLO CC(C)c1nnc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000611560759 507739691 /nfs/dbraw/zinc/73/96/91/507739691.db2.gz PLZGPFXVSKVHEX-OAHLLOKOSA-N 1 2 372.454 3.182 20 5 FGBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000611560908 507739802 /nfs/dbraw/zinc/73/98/02/507739802.db2.gz BXXWHURQXGCFGL-HNAYVOBHSA-N 1 2 366.421 3.475 20 5 FGBDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000301890447 713782590 /nfs/dbraw/zinc/78/25/90/713782590.db2.gz PMHGGKLGTXSWRS-UHFFFAOYSA-N 1 2 353.394 3.177 20 5 FGBDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000301890447 713782592 /nfs/dbraw/zinc/78/25/92/713782592.db2.gz PMHGGKLGTXSWRS-UHFFFAOYSA-N 1 2 353.394 3.177 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374905967 713952597 /nfs/dbraw/zinc/95/25/97/713952597.db2.gz BCRUZVDABUMAGY-ZDUSSCGKSA-N 1 2 351.815 3.096 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779218193 724400242 /nfs/dbraw/zinc/40/02/42/724400242.db2.gz VYQWTIUFARTQDW-OAHLLOKOSA-N 1 2 357.248 3.342 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779218193 724400244 /nfs/dbraw/zinc/40/02/44/724400244.db2.gz VYQWTIUFARTQDW-OAHLLOKOSA-N 1 2 357.248 3.342 20 5 FGBDLO Cc1ccc([C@H]2CC[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)cc1 ZINC000784027020 724814088 /nfs/dbraw/zinc/81/40/88/724814088.db2.gz UDIIKMCTZFCMJV-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ccc([C@H]2CC[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)cc1 ZINC000784027020 724814090 /nfs/dbraw/zinc/81/40/90/724814090.db2.gz UDIIKMCTZFCMJV-ZDUSSCGKSA-N 1 2 365.231 3.309 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000741740636 722548642 /nfs/dbraw/zinc/54/86/42/722548642.db2.gz VVEHTSBOLGXUGO-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)c(F)c1 ZINC000748815984 722705669 /nfs/dbraw/zinc/70/56/69/722705669.db2.gz MOMQEMRIGIFCRR-UHFFFAOYSA-N 1 2 355.728 3.255 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662148 723539187 /nfs/dbraw/zinc/53/91/87/723539187.db2.gz HTPJVNFKTQEAHG-GWCFXTLKSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662148 723539189 /nfs/dbraw/zinc/53/91/89/723539189.db2.gz HTPJVNFKTQEAHG-GWCFXTLKSA-N 1 2 355.320 3.084 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796555386 723643562 /nfs/dbraw/zinc/64/35/62/723643562.db2.gz RYRUUVMEFVEONU-ZDUSSCGKSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796555386 723643563 /nfs/dbraw/zinc/64/35/63/723643563.db2.gz RYRUUVMEFVEONU-ZDUSSCGKSA-N 1 2 355.822 3.301 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000799194659 723997433 /nfs/dbraw/zinc/99/74/33/723997433.db2.gz IIHQKECJXCLOKD-LBPRGKRZSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000799194659 723997436 /nfs/dbraw/zinc/99/74/36/723997436.db2.gz IIHQKECJXCLOKD-LBPRGKRZSA-N 1 2 360.801 3.071 20 5 FGBDLO C[C@@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800866104 724239958 /nfs/dbraw/zinc/23/99/58/724239958.db2.gz SCIIDXPQDAKOAB-CYBMUJFWSA-N 1 2 361.467 3.075 20 5 FGBDLO C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800866104 724239960 /nfs/dbraw/zinc/23/99/60/724239960.db2.gz SCIIDXPQDAKOAB-CYBMUJFWSA-N 1 2 361.467 3.075 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000784407270 724851003 /nfs/dbraw/zinc/85/10/03/724851003.db2.gz XRFPWDAUBXMVHJ-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000784407270 724851004 /nfs/dbraw/zinc/85/10/04/724851004.db2.gz XRFPWDAUBXMVHJ-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO C[C@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000787245977 725021934 /nfs/dbraw/zinc/02/19/34/725021934.db2.gz REIKHYDSTNOWPM-SNVBAGLBSA-N 1 2 359.213 3.455 20 5 FGBDLO C[C@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000787245977 725021938 /nfs/dbraw/zinc/02/19/38/725021938.db2.gz REIKHYDSTNOWPM-SNVBAGLBSA-N 1 2 359.213 3.455 20 5 FGBDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317376 727063796 /nfs/dbraw/zinc/06/37/96/727063796.db2.gz CSCJWIHDNVGVEC-MLGOLLRUSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317376 727063800 /nfs/dbraw/zinc/06/38/00/727063800.db2.gz CSCJWIHDNVGVEC-MLGOLLRUSA-N 1 2 369.849 3.322 20 5 FGBDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815634321 727087944 /nfs/dbraw/zinc/08/79/44/727087944.db2.gz IGYLFGNZBSMCKT-IUCAKERBSA-N 1 2 366.219 3.141 20 5 FGBDLO C[C@@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CCc2ccccc21 ZINC000844739903 730760661 /nfs/dbraw/zinc/76/06/61/730760661.db2.gz DOXCYPRXJMIXTC-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CCc2ccccc21 ZINC000844739903 730760665 /nfs/dbraw/zinc/76/06/65/730760665.db2.gz DOXCYPRXJMIXTC-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852679406 731619166 /nfs/dbraw/zinc/61/91/66/731619166.db2.gz ZVXLHDSXKUXFNC-NSHDSACASA-N 1 2 372.252 3.346 20 5 FGBDLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852679406 731619172 /nfs/dbraw/zinc/61/91/72/731619172.db2.gz ZVXLHDSXKUXFNC-NSHDSACASA-N 1 2 372.252 3.346 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000880000329 737095235 /nfs/dbraw/zinc/09/52/35/737095235.db2.gz UKXVSYHPTVHQKC-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000880000329 737095238 /nfs/dbraw/zinc/09/52/38/737095238.db2.gz UKXVSYHPTVHQKC-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO COC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000894528123 742295840 /nfs/dbraw/zinc/29/58/40/742295840.db2.gz RTVUQVHNXPRZPB-CQSZACIVSA-N 1 2 366.801 3.440 20 5 FGBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927102892 759891440 /nfs/dbraw/zinc/89/14/40/759891440.db2.gz YMXYHHGXLKMUNW-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO O=C1[C@H](Sc2[nH+]cc3ccccn32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067428718 221252533 /nfs/dbraw/zinc/25/25/33/221252533.db2.gz SPJUZHDLADOLCA-OAHLLOKOSA-N 1 2 354.391 3.140 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCn1cc[nH+]c1 ZINC000278564861 257374968 /nfs/dbraw/zinc/37/49/68/257374968.db2.gz WYQJMVCYWVVRMY-UHFFFAOYSA-N 1 2 365.262 3.343 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1COc2ccccc21 ZINC000577018889 505646292 /nfs/dbraw/zinc/64/62/92/505646292.db2.gz SPILWODJFJVPTK-MRXNPFEDSA-N 1 2 369.421 3.015 20 5 FGBDLO Cc1cc(NCCCNc2ncccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827609 493805150 /nfs/dbraw/zinc/80/51/50/493805150.db2.gz VOXUTPATTAWVMY-UHFFFAOYSA-N 1 2 365.397 3.064 20 5 FGBDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910436 493913656 /nfs/dbraw/zinc/91/36/56/493913656.db2.gz HQYKHMCYEVPXLY-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081600656 493926232 /nfs/dbraw/zinc/92/62/32/493926232.db2.gz VMYIOJGBVRFCLE-CYBMUJFWSA-N 1 2 365.384 3.065 20 5 FGBDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000033224457 494052790 /nfs/dbraw/zinc/05/27/90/494052790.db2.gz RHVOKDNTFSCHDL-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054180234 494204353 /nfs/dbraw/zinc/20/43/53/494204353.db2.gz BVNQVFRVHUNYDY-UHFFFAOYSA-N 1 2 356.357 3.212 20 5 FGBDLO CCOc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000042800244 494245226 /nfs/dbraw/zinc/24/52/26/494245226.db2.gz FQHQOGNVOPWDIX-UHFFFAOYSA-N 1 2 374.784 3.225 20 5 FGBDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000043347664 494289817 /nfs/dbraw/zinc/28/98/17/494289817.db2.gz LMUHBKMDMCVUQS-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000089989312 494420799 /nfs/dbraw/zinc/42/07/99/494420799.db2.gz MOISXQVGYZPICP-UHFFFAOYSA-N 1 2 368.397 3.287 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599250 494539623 /nfs/dbraw/zinc/53/96/23/494539623.db2.gz UFPOQNRORJOQDS-AWEZNQCLSA-N 1 2 359.401 3.385 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599250 494539627 /nfs/dbraw/zinc/53/96/27/494539627.db2.gz UFPOQNRORJOQDS-AWEZNQCLSA-N 1 2 359.401 3.385 20 5 FGBDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599497 494539671 /nfs/dbraw/zinc/53/96/71/494539671.db2.gz HLNXXIISJCLDFE-RHSMWYFYSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599497 494539676 /nfs/dbraw/zinc/53/96/76/494539676.db2.gz HLNXXIISJCLDFE-RHSMWYFYSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599499 494539852 /nfs/dbraw/zinc/53/98/52/494539852.db2.gz HLNXXIISJCLDFE-YOEHRIQHSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599499 494539858 /nfs/dbraw/zinc/53/98/58/494539858.db2.gz HLNXXIISJCLDFE-YOEHRIQHSA-N 1 2 369.421 3.055 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000024239123 494613633 /nfs/dbraw/zinc/61/36/33/494613633.db2.gz UJSLYGABMFLWJT-MRXNPFEDSA-N 1 2 369.356 3.379 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131490739 494637267 /nfs/dbraw/zinc/63/72/67/494637267.db2.gz CAFSFNMBJSMLBO-SECBINFHSA-N 1 2 351.746 3.058 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131607392 494672985 /nfs/dbraw/zinc/67/29/85/494672985.db2.gz JAAHLYJJBWSCOT-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131607392 494672991 /nfs/dbraw/zinc/67/29/91/494672991.db2.gz JAAHLYJJBWSCOT-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000126241373 494684170 /nfs/dbraw/zinc/68/41/70/494684170.db2.gz VZSNQXUHRYITHP-QGZVFWFLSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000126241373 494684177 /nfs/dbraw/zinc/68/41/77/494684177.db2.gz VZSNQXUHRYITHP-QGZVFWFLSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])cc1OC ZINC000091930869 494725074 /nfs/dbraw/zinc/72/50/74/494725074.db2.gz NULUDLRKXLUQFO-UHFFFAOYSA-N 1 2 353.806 3.236 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])cc1OC ZINC000091930869 494725080 /nfs/dbraw/zinc/72/50/80/494725080.db2.gz NULUDLRKXLUQFO-UHFFFAOYSA-N 1 2 353.806 3.236 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000577490053 505738915 /nfs/dbraw/zinc/73/89/15/505738915.db2.gz HVTOGZQKBXZQRG-UHFFFAOYSA-N 1 2 372.446 3.158 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000577490053 505738917 /nfs/dbraw/zinc/73/89/17/505738917.db2.gz HVTOGZQKBXZQRG-UHFFFAOYSA-N 1 2 372.446 3.158 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000108649567 494755659 /nfs/dbraw/zinc/75/56/59/494755659.db2.gz VVBAYAHTPJSANE-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628609 494805941 /nfs/dbraw/zinc/80/59/41/494805941.db2.gz USVOLZVDCWWBAW-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628609 494805944 /nfs/dbraw/zinc/80/59/44/494805944.db2.gz USVOLZVDCWWBAW-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000126684594 494819595 /nfs/dbraw/zinc/81/95/95/494819595.db2.gz ZMKUDMGFGPEKRW-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000126684594 494819600 /nfs/dbraw/zinc/81/96/00/494819600.db2.gz ZMKUDMGFGPEKRW-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026481732 494828585 /nfs/dbraw/zinc/82/85/85/494828585.db2.gz HUYSTPYCXJBMJG-GFCCVEGCSA-N 1 2 361.373 3.202 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026481732 494828590 /nfs/dbraw/zinc/82/85/90/494828590.db2.gz HUYSTPYCXJBMJG-GFCCVEGCSA-N 1 2 361.373 3.202 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@]3(CO)CCc4ccccc43)co2)cc1 ZINC000132561982 494892651 /nfs/dbraw/zinc/89/26/51/494892651.db2.gz QEHMQOARNSBOJE-FQEVSTJZSA-N 1 2 365.389 3.173 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109961167 494935066 /nfs/dbraw/zinc/93/50/66/494935066.db2.gz ANWWTKUNVBYIQS-KRWDZBQOSA-N 1 2 367.449 3.351 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132911154 494941984 /nfs/dbraw/zinc/94/19/84/494941984.db2.gz BSZNDLXMSGPNEM-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO COC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000111255645 495055023 /nfs/dbraw/zinc/05/50/23/495055023.db2.gz UHHMGHBGSJHMMS-UHFFFAOYSA-N 1 2 370.377 3.500 20 5 FGBDLO COC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000111255645 495055024 /nfs/dbraw/zinc/05/50/24/495055024.db2.gz UHHMGHBGSJHMMS-UHFFFAOYSA-N 1 2 370.377 3.500 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111274466 495056860 /nfs/dbraw/zinc/05/68/60/495056860.db2.gz LITPTXJNMWGLJF-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111274466 495056862 /nfs/dbraw/zinc/05/68/62/495056862.db2.gz LITPTXJNMWGLJF-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO CSc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000119308119 495138312 /nfs/dbraw/zinc/13/83/12/495138312.db2.gz PTQCUTXPBLICPP-ZDUSSCGKSA-N 1 2 374.466 3.145 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128747329 495144384 /nfs/dbraw/zinc/14/43/84/495144384.db2.gz HNJBXSSVFJXKLC-HWKANZROSA-N 1 2 369.396 3.205 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000134821686 495206041 /nfs/dbraw/zinc/20/60/41/495206041.db2.gz ZPSKZHKAAZHYQQ-UHFFFAOYSA-N 1 2 352.350 3.393 20 5 FGBDLO CCOc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])cc1OCC ZINC000568753546 505770496 /nfs/dbraw/zinc/77/04/96/505770496.db2.gz SKWNSDWMFVOCAJ-GFCCVEGCSA-N 1 2 362.386 3.179 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229930 495265890 /nfs/dbraw/zinc/26/58/90/495265890.db2.gz HUZXCOKGZYZTQY-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229930 495265896 /nfs/dbraw/zinc/26/58/96/495265896.db2.gz HUZXCOKGZYZTQY-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO Cc1c(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cccc1[N+](=O)[O-] ZINC000574437681 505773680 /nfs/dbraw/zinc/77/36/80/505773680.db2.gz HZQWXDNXVVPHOS-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120314292 495350630 /nfs/dbraw/zinc/35/06/30/495350630.db2.gz KMQMPMIXOPWYCE-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120314292 495350632 /nfs/dbraw/zinc/35/06/32/495350632.db2.gz KMQMPMIXOPWYCE-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136259423 495368472 /nfs/dbraw/zinc/36/84/72/495368472.db2.gz ONPNFAIJBGPUQI-UHFFFAOYSA-N 1 2 365.176 3.479 20 5 FGBDLO O=c1[nH]c(Cc2[nH+]ccn2CC(F)(F)F)nc2cc3ccccc3cc12 ZINC000114559257 495391664 /nfs/dbraw/zinc/39/16/64/495391664.db2.gz CDBGSJVREYKLNW-UHFFFAOYSA-N 1 2 358.323 3.426 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc21 ZINC000130809970 495449224 /nfs/dbraw/zinc/44/92/24/495449224.db2.gz RFSZVBDSAWYNLY-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc21 ZINC000130809970 495449227 /nfs/dbraw/zinc/44/92/27/495449227.db2.gz RFSZVBDSAWYNLY-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120834642 495467543 /nfs/dbraw/zinc/46/75/43/495467543.db2.gz IFTBXKNJHSAIAE-CQSZACIVSA-N 1 2 355.398 3.007 20 5 FGBDLO COc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000120934586 495488230 /nfs/dbraw/zinc/48/82/30/495488230.db2.gz DVBBLCBWSHKQHS-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000115411074 495500434 /nfs/dbraw/zinc/50/04/34/495500434.db2.gz KUHOBNGATWSKSG-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179503041 495618902 /nfs/dbraw/zinc/61/89/02/495618902.db2.gz ZUBUUCVEMKHNAX-CQSZACIVSA-N 1 2 369.421 3.256 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176475833 495663838 /nfs/dbraw/zinc/66/38/38/495663838.db2.gz YGMOZUICJWWTNE-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000176507078 495677524 /nfs/dbraw/zinc/67/75/24/495677524.db2.gz UXDHDLYUVACDIN-UHFFFAOYSA-N 1 2 370.434 3.416 20 5 FGBDLO COC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000159180659 495677800 /nfs/dbraw/zinc/67/78/00/495677800.db2.gz OKGGSVZAKAYLQW-UHFFFAOYSA-N 1 2 361.423 3.103 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3c3nnc[nH]3)o2)c1 ZINC000182736081 495683084 /nfs/dbraw/zinc/68/30/84/495683084.db2.gz GCYSDMLEKFVYJH-OAHLLOKOSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3c3nnc[nH]3)o2)c1 ZINC000182736081 495683088 /nfs/dbraw/zinc/68/30/88/495683088.db2.gz GCYSDMLEKFVYJH-OAHLLOKOSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3c3nc[nH]n3)o2)c1 ZINC000182736081 495683093 /nfs/dbraw/zinc/68/30/93/495683093.db2.gz GCYSDMLEKFVYJH-OAHLLOKOSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3c3nc[nH]n3)o2)c1 ZINC000182736081 495683097 /nfs/dbraw/zinc/68/30/97/495683097.db2.gz GCYSDMLEKFVYJH-OAHLLOKOSA-N 1 2 368.397 3.138 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000182748112 495688114 /nfs/dbraw/zinc/68/81/14/495688114.db2.gz MYLUDGVKAZTXDT-CCEZHUSRSA-N 1 2 366.421 3.178 20 5 FGBDLO CCc1cc(NCC[C@@H](C)[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000154704138 495701755 /nfs/dbraw/zinc/70/17/55/495701755.db2.gz YVWRXNXCUXBAIM-YDBLSZJJSA-N 1 2 362.455 3.183 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CCCO)c3ccccc3)o2)cc1 ZINC000179730877 495708888 /nfs/dbraw/zinc/70/88/88/495708888.db2.gz DBLHQCSLQWMDMZ-KRWDZBQOSA-N 1 2 368.393 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000179818819 495748023 /nfs/dbraw/zinc/74/80/23/495748023.db2.gz BQOFSDQHVODYQJ-OAHLLOKOSA-N 1 2 364.409 3.066 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000179818819 495748029 /nfs/dbraw/zinc/74/80/29/495748029.db2.gz BQOFSDQHVODYQJ-OAHLLOKOSA-N 1 2 364.409 3.066 20 5 FGBDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185926022 495783964 /nfs/dbraw/zinc/78/39/64/495783964.db2.gz VIPQXVHSBYPJOW-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176802488 495791192 /nfs/dbraw/zinc/79/11/92/495791192.db2.gz COVYNCDGPXLGHP-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO C[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185977673 495807164 /nfs/dbraw/zinc/80/71/64/495807164.db2.gz KVVUHGRBVCFYCW-ZDUSSCGKSA-N 1 2 360.389 3.241 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174220007 495869919 /nfs/dbraw/zinc/86/99/19/495869919.db2.gz PZGQDLOSYXSTBT-NWDGAFQWSA-N 1 2 361.373 3.420 20 5 FGBDLO CCCCc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174246793 495881458 /nfs/dbraw/zinc/88/14/58/495881458.db2.gz DXROMOZFYYKTJR-UHFFFAOYSA-N 1 2 360.414 3.364 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619979 495950862 /nfs/dbraw/zinc/95/08/62/495950862.db2.gz MVIJJPCFUSZISJ-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619979 495950870 /nfs/dbraw/zinc/95/08/70/495950870.db2.gz MVIJJPCFUSZISJ-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000574610831 505814112 /nfs/dbraw/zinc/81/41/12/505814112.db2.gz JQZBXLFBZPEVHR-UHFFFAOYSA-N 1 2 371.319 3.238 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178063217 496312404 /nfs/dbraw/zinc/31/24/04/496312404.db2.gz YDQHPPLZEJCUJL-GFCCVEGCSA-N 1 2 356.407 3.040 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000184404887 496370564 /nfs/dbraw/zinc/37/05/64/496370564.db2.gz RRTTYNFMRCSTJP-CQSZACIVSA-N 1 2 352.362 3.375 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187298047 496383088 /nfs/dbraw/zinc/38/30/88/496383088.db2.gz ATKODSQVDPLHRO-UHFFFAOYSA-N 1 2 374.400 3.468 20 5 FGBDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187331616 496396659 /nfs/dbraw/zinc/39/66/59/496396659.db2.gz SAAIRSMZBIBAAR-YJBOKZPZSA-N 1 2 372.425 3.104 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162811309 496417061 /nfs/dbraw/zinc/41/70/61/496417061.db2.gz LHRQIRSWXSXKRR-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000153334134 496423072 /nfs/dbraw/zinc/42/30/72/496423072.db2.gz VVNMXJSCSNGFBG-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000153334134 496423079 /nfs/dbraw/zinc/42/30/79/496423079.db2.gz VVNMXJSCSNGFBG-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000172819004 496445908 /nfs/dbraw/zinc/44/59/08/496445908.db2.gz UZPOXKHAHUVIIW-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184643613 496476234 /nfs/dbraw/zinc/47/62/34/496476234.db2.gz OZMZDKXYLHQPRQ-CQSZACIVSA-N 1 2 367.789 3.065 20 5 FGBDLO CC(C)(C)C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181889562 496588308 /nfs/dbraw/zinc/58/83/08/496588308.db2.gz QLAZMUYINDZCSC-UHFFFAOYSA-N 1 2 354.472 3.127 20 5 FGBDLO Cn1cc(-c2cc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)on2)cn1 ZINC000185040379 496633208 /nfs/dbraw/zinc/63/32/08/496633208.db2.gz WTQPNPVGSLZEAH-UHFFFAOYSA-N 1 2 353.382 3.148 20 5 FGBDLO Cn1cc(-c2cc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)on2)cn1 ZINC000185040379 496633214 /nfs/dbraw/zinc/63/32/14/496633214.db2.gz WTQPNPVGSLZEAH-UHFFFAOYSA-N 1 2 353.382 3.148 20 5 FGBDLO CSc1cccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000188039356 496659259 /nfs/dbraw/zinc/65/92/59/496659259.db2.gz KTKPTAPDGNASIO-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO CSc1cccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000188148080 496701026 /nfs/dbraw/zinc/70/10/26/496701026.db2.gz HIZJXRWPCXEEQR-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Br)o3)C2)nc1 ZINC000191383822 496744977 /nfs/dbraw/zinc/74/49/77/496744977.db2.gz YXOLJDNTPCKLPE-SNVBAGLBSA-N 1 2 367.203 3.032 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)nc1 ZINC000191383822 496744980 /nfs/dbraw/zinc/74/49/80/496744980.db2.gz YXOLJDNTPCKLPE-SNVBAGLBSA-N 1 2 367.203 3.032 20 5 FGBDLO COCC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000273304104 496769485 /nfs/dbraw/zinc/76/94/85/496769485.db2.gz SBXZEYJIOZEEAO-CQSZACIVSA-N 1 2 358.354 3.105 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC000277443272 496774910 /nfs/dbraw/zinc/77/49/10/496774910.db2.gz LJWJRLZPDNMPOR-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248421788 497006017 /nfs/dbraw/zinc/00/60/17/497006017.db2.gz MKKIIJFWUZSFFJ-LSDHHAIUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248421788 497006019 /nfs/dbraw/zinc/00/60/19/497006019.db2.gz MKKIIJFWUZSFFJ-LSDHHAIUSA-N 1 2 360.863 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000278124023 497012192 /nfs/dbraw/zinc/01/21/92/497012192.db2.gz QQALKDHYVRJUDZ-XJKSGUPXSA-N 1 2 370.365 3.317 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2c1 ZINC000278124023 497012198 /nfs/dbraw/zinc/01/21/98/497012198.db2.gz QQALKDHYVRJUDZ-XJKSGUPXSA-N 1 2 370.365 3.317 20 5 FGBDLO Cc1cc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2[nH+]1 ZINC000192192675 497028585 /nfs/dbraw/zinc/02/85/85/497028585.db2.gz QMNKFOMAQOVNDD-UHFFFAOYSA-N 1 2 363.373 3.420 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000274305009 497066434 /nfs/dbraw/zinc/06/64/34/497066434.db2.gz OWFNNGQFQSBKRM-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000274336359 497073249 /nfs/dbraw/zinc/07/32/49/497073249.db2.gz SMUICZLSNUETDW-AWEZNQCLSA-N 1 2 354.765 3.219 20 5 FGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000270520302 497144018 /nfs/dbraw/zinc/14/40/18/497144018.db2.gz DUGCKYKQDXNIHK-UHFFFAOYSA-N 1 2 368.397 3.458 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOC1CCCCC1 ZINC000574968114 505893435 /nfs/dbraw/zinc/89/34/35/505893435.db2.gz ACLCBBKBUJSQLG-UHFFFAOYSA-N 1 2 363.458 3.188 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000569277837 505894623 /nfs/dbraw/zinc/89/46/23/505894623.db2.gz IQJVCHCICFKWLX-UHFFFAOYSA-N 1 2 353.382 3.435 20 5 FGBDLO O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193141842 497311822 /nfs/dbraw/zinc/31/18/22/497311822.db2.gz BENLHIDZMWVHGH-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279737755 497526226 /nfs/dbraw/zinc/52/62/26/497526226.db2.gz KGJVNNZFSTUUOI-DOMZBBRYSA-N 1 2 360.414 3.453 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279737755 497526231 /nfs/dbraw/zinc/52/62/31/497526231.db2.gz KGJVNNZFSTUUOI-DOMZBBRYSA-N 1 2 360.414 3.453 20 5 FGBDLO O=C(NC1CC1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000268081032 497674960 /nfs/dbraw/zinc/67/49/60/497674960.db2.gz PBTHPZCTQLKOLD-QGZVFWFLSA-N 1 2 359.813 3.358 20 5 FGBDLO CCOc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276885019 497678811 /nfs/dbraw/zinc/67/88/11/497678811.db2.gz JJUHQLHKSDAJAY-RUZDIDTESA-N 1 2 362.451 3.363 20 5 FGBDLO CCOc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276885019 497678815 /nfs/dbraw/zinc/67/88/15/497678815.db2.gz JJUHQLHKSDAJAY-RUZDIDTESA-N 1 2 362.451 3.363 20 5 FGBDLO CSc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272680229 497699795 /nfs/dbraw/zinc/69/97/95/497699795.db2.gz RRUKPALCYSGCCR-ZDUSSCGKSA-N 1 2 364.427 3.148 20 5 FGBDLO CSc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272680229 497699798 /nfs/dbraw/zinc/69/97/98/497699798.db2.gz RRUKPALCYSGCCR-ZDUSSCGKSA-N 1 2 364.427 3.148 20 5 FGBDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364418356 497945856 /nfs/dbraw/zinc/94/58/56/497945856.db2.gz TUQWVYDJOCTPDO-UHFFFAOYSA-N 1 2 361.421 3.224 20 5 FGBDLO CC(C)n1ccnc1C[N@H+]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364418356 497945862 /nfs/dbraw/zinc/94/58/62/497945862.db2.gz TUQWVYDJOCTPDO-UHFFFAOYSA-N 1 2 361.421 3.224 20 5 FGBDLO C[NH+](C)[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1ccccc1 ZINC000289204226 498059118 /nfs/dbraw/zinc/05/91/18/498059118.db2.gz RUIIORMQPVXHHV-SFHVURJKSA-N 1 2 367.409 3.283 20 5 FGBDLO CCc1cc(N[C@H]2CCC[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301334777 498061574 /nfs/dbraw/zinc/06/15/74/498061574.db2.gz BTGAVVZXYONOIX-ZFWWWQNUSA-N 1 2 369.425 3.070 20 5 FGBDLO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000296583734 498107198 /nfs/dbraw/zinc/10/71/98/498107198.db2.gz MXUAHCFEWKVTAO-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO CO[C@](C)(c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1)C1CC1 ZINC000351126961 498182680 /nfs/dbraw/zinc/18/26/80/498182680.db2.gz VAILKJRVXZUMAK-KRWDZBQOSA-N 1 2 355.354 3.102 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289699032 498253870 /nfs/dbraw/zinc/25/38/70/498253870.db2.gz GYKPWNIGTJYSFF-DYVFJYSZSA-N 1 2 357.414 3.469 20 5 FGBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000575790420 506005255 /nfs/dbraw/zinc/00/52/55/506005255.db2.gz KGHDXOIXVVYZEZ-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000575790420 506005256 /nfs/dbraw/zinc/00/52/56/506005256.db2.gz KGHDXOIXVVYZEZ-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000281801377 498274562 /nfs/dbraw/zinc/27/45/62/498274562.db2.gz MVCSULGJKSSWTM-QGZVFWFLSA-N 1 2 371.441 3.367 20 5 FGBDLO O=[N+]([O-])c1cncc(Br)c1NCCCCNc1cccc[nH+]1 ZINC000301830984 498284056 /nfs/dbraw/zinc/28/40/56/498284056.db2.gz HZXADPODTHWQDL-UHFFFAOYSA-N 1 2 366.219 3.452 20 5 FGBDLO CCOc1cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000365188757 498342414 /nfs/dbraw/zinc/34/24/14/498342414.db2.gz FYNAPODGEMMCJW-AWEZNQCLSA-N 1 2 367.409 3.425 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)cc1 ZINC000581578332 506019542 /nfs/dbraw/zinc/01/95/42/506019542.db2.gz XFNABUOTZILMCV-UHFFFAOYSA-N 1 2 361.361 3.480 20 5 FGBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)cc[nH+]1 ZINC000302173976 498427592 /nfs/dbraw/zinc/42/75/92/498427592.db2.gz WCAKHZAQSCQWEI-UHFFFAOYSA-N 1 2 371.441 3.197 20 5 FGBDLO Cc1ccc(F)cc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000569871515 506035079 /nfs/dbraw/zinc/03/50/79/506035079.db2.gz GLYXITZQJBDKGY-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1)CCN2 ZINC000302434778 498484446 /nfs/dbraw/zinc/48/44/46/498484446.db2.gz LZNSSXNMSOHMID-IBGZPJMESA-N 1 2 368.437 3.048 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nc1 ZINC000302783787 498573156 /nfs/dbraw/zinc/57/31/56/498573156.db2.gz LHXMGSWWXOSXIF-LLVKDONJSA-N 1 2 353.304 3.094 20 5 FGBDLO CCc1cc(N[C@@H]2CC[C@H](C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302867113 498606523 /nfs/dbraw/zinc/60/65/23/498606523.db2.gz VYJGFPNGNCHSHX-DZGCQCFKSA-N 1 2 370.409 3.368 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287578014 498803527 /nfs/dbraw/zinc/80/35/27/498803527.db2.gz DJROGYWNFXTADM-AWEZNQCLSA-N 1 2 373.413 3.033 20 5 FGBDLO Cc1c([C@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000291172156 498828872 /nfs/dbraw/zinc/82/88/72/498828872.db2.gz JYMJEWJGPVQFOG-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1c([C@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000291172156 498828880 /nfs/dbraw/zinc/82/88/80/498828880.db2.gz JYMJEWJGPVQFOG-HNNXBMFYSA-N 1 2 368.437 3.008 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)cs2)c1 ZINC000291231912 498855151 /nfs/dbraw/zinc/85/51/51/498855151.db2.gz KMIRPRCKGDTEPJ-GFCCVEGCSA-N 1 2 369.393 3.168 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)cs2)c1 ZINC000291231912 498855157 /nfs/dbraw/zinc/85/51/57/498855157.db2.gz KMIRPRCKGDTEPJ-GFCCVEGCSA-N 1 2 369.393 3.168 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298809086 498885180 /nfs/dbraw/zinc/88/51/80/498885180.db2.gz OCPSVTMQYLPIIQ-UHFFFAOYSA-N 1 2 366.377 3.266 20 5 FGBDLO CC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000363597658 498897331 /nfs/dbraw/zinc/89/73/31/498897331.db2.gz PXACTIPAXQYRBW-KRWDZBQOSA-N 1 2 371.441 3.121 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000288440180 499026033 /nfs/dbraw/zinc/02/60/33/499026033.db2.gz LTDKEBIBXGENTD-UHFFFAOYSA-N 1 2 353.325 3.353 20 5 FGBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000370117206 499182906 /nfs/dbraw/zinc/18/29/06/499182906.db2.gz PULLOVPEFGJLCO-ZDUSSCGKSA-N 1 2 357.414 3.003 20 5 FGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367611680 499217551 /nfs/dbraw/zinc/21/75/51/499217551.db2.gz DIBHYFQRIVZYCC-CQSZACIVSA-N 1 2 369.406 3.419 20 5 FGBDLO CCc1nc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000368545069 499306310 /nfs/dbraw/zinc/30/63/10/499306310.db2.gz ZMLVCKWHYGZKPT-LLVKDONJSA-N 1 2 357.370 3.061 20 5 FGBDLO CCc1nc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000368545069 499306311 /nfs/dbraw/zinc/30/63/11/499306311.db2.gz ZMLVCKWHYGZKPT-LLVKDONJSA-N 1 2 357.370 3.061 20 5 FGBDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017870 499357861 /nfs/dbraw/zinc/35/78/61/499357861.db2.gz JENFAPKNNUGOJH-OAHLLOKOSA-N 1 2 371.441 3.190 20 5 FGBDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017870 499357863 /nfs/dbraw/zinc/35/78/63/499357863.db2.gz JENFAPKNNUGOJH-OAHLLOKOSA-N 1 2 371.441 3.190 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000371870774 499373821 /nfs/dbraw/zinc/37/38/21/499373821.db2.gz TVKUCVZNHCVIQV-CYBMUJFWSA-N 1 2 369.347 3.224 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000369552083 499416464 /nfs/dbraw/zinc/41/64/64/499416464.db2.gz QEEYHDVOMMJRDQ-AUUYWEPGSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCCOC2)O1 ZINC000369552083 499416465 /nfs/dbraw/zinc/41/64/65/499416465.db2.gz QEEYHDVOMMJRDQ-AUUYWEPGSA-N 1 2 373.409 3.020 20 5 FGBDLO CCO[C@@H](C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000369681128 499435865 /nfs/dbraw/zinc/43/58/65/499435865.db2.gz IHDYNULDHLUEIY-LBPRGKRZSA-N 1 2 365.459 3.182 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378245176 499493863 /nfs/dbraw/zinc/49/38/63/499493863.db2.gz ZSGAFISYFLDTHQ-AWEZNQCLSA-N 1 2 371.441 3.212 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)n2)c1 ZINC000375309000 499505810 /nfs/dbraw/zinc/50/58/10/499505810.db2.gz MGTGAZQUYLMALR-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](OCC4CC4)C3)n2)c1 ZINC000375309000 499505813 /nfs/dbraw/zinc/50/58/13/499505813.db2.gz MGTGAZQUYLMALR-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404263 499514633 /nfs/dbraw/zinc/51/46/33/499514633.db2.gz NTVIVIJFETVKIJ-JSGCOSHPSA-N 1 2 365.459 3.182 20 5 FGBDLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404263 499514635 /nfs/dbraw/zinc/51/46/35/499514635.db2.gz NTVIVIJFETVKIJ-JSGCOSHPSA-N 1 2 365.459 3.182 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000375943718 499570366 /nfs/dbraw/zinc/57/03/66/499570366.db2.gz WPZTZZDHSYQDIL-NSHDSACASA-N 1 2 363.805 3.393 20 5 FGBDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411297862 499723314 /nfs/dbraw/zinc/72/33/14/499723314.db2.gz SFQRQYTUEBHHGN-CYBMUJFWSA-N 1 2 370.409 3.039 20 5 FGBDLO CCCC(=O)NC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413116717 499915948 /nfs/dbraw/zinc/91/59/48/499915948.db2.gz WQQIUZXLHOBQHN-AWEZNQCLSA-N 1 2 356.426 3.276 20 5 FGBDLO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c1 ZINC000413127718 499917177 /nfs/dbraw/zinc/91/71/77/499917177.db2.gz VYRMERIGUMMRFU-CYBMUJFWSA-N 1 2 360.389 3.021 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413211280 499927679 /nfs/dbraw/zinc/92/76/79/499927679.db2.gz XGFABBDXRSTNAL-ZDUSSCGKSA-N 1 2 355.373 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](c4nncn4C4CC4)C3)c2c1 ZINC000413218710 499928390 /nfs/dbraw/zinc/92/83/90/499928390.db2.gz JQLXWKZCVHNWQQ-AWEZNQCLSA-N 1 2 364.409 3.453 20 5 FGBDLO Cc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421377500 500032055 /nfs/dbraw/zinc/03/20/55/500032055.db2.gz JUTVUYNAZLIPBV-GOSISDBHSA-N 1 2 351.410 3.219 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000425430056 500104236 /nfs/dbraw/zinc/10/42/36/500104236.db2.gz CRMIBURSMIRDME-LBPRGKRZSA-N 1 2 355.188 3.164 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000429568612 500104948 /nfs/dbraw/zinc/10/49/48/500104948.db2.gz JURKFEJFRBKFSQ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000429568612 500104951 /nfs/dbraw/zinc/10/49/51/500104951.db2.gz JURKFEJFRBKFSQ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000429577353 500106125 /nfs/dbraw/zinc/10/61/25/500106125.db2.gz OXSNWXKUCGKKEU-UHFFFAOYSA-N 1 2 354.410 3.116 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000425451257 500110458 /nfs/dbraw/zinc/11/04/58/500110458.db2.gz WOFQPGXBKNLDCC-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000425451257 500110460 /nfs/dbraw/zinc/11/04/60/500110460.db2.gz WOFQPGXBKNLDCC-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000430006487 500180187 /nfs/dbraw/zinc/18/01/87/500180187.db2.gz KKFNEDXSXVYJOF-UHFFFAOYSA-N 1 2 363.421 3.399 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000430006487 500180188 /nfs/dbraw/zinc/18/01/88/500180188.db2.gz KKFNEDXSXVYJOF-UHFFFAOYSA-N 1 2 363.421 3.399 20 5 FGBDLO C[C@]([NH2+]Cc1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426437803 500272238 /nfs/dbraw/zinc/27/22/38/500272238.db2.gz PRKCKBNCBDGXEI-CQSZACIVSA-N 1 2 373.356 3.165 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428020148 500458910 /nfs/dbraw/zinc/45/89/10/500458910.db2.gz DBCRAEXOEBPWKV-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000428538591 500523016 /nfs/dbraw/zinc/52/30/16/500523016.db2.gz QOYUSHBEHUESNM-UHFFFAOYSA-N 1 2 372.805 3.081 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC000421020780 500556255 /nfs/dbraw/zinc/55/62/55/500556255.db2.gz NROVMIXGDRXBGT-IFXJQAMLSA-N 1 2 364.442 3.393 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@]23CCOC3)cc1OC ZINC000421020780 500556257 /nfs/dbraw/zinc/55/62/57/500556257.db2.gz NROVMIXGDRXBGT-IFXJQAMLSA-N 1 2 364.442 3.393 20 5 FGBDLO Cc1c(C[NH2+][C@@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000432991395 500602967 /nfs/dbraw/zinc/60/29/67/500602967.db2.gz JOTVLAZEYZAINZ-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO COC1CCC(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447802501 500665596 /nfs/dbraw/zinc/66/55/96/500665596.db2.gz LMBYXAVJZKVNCU-UHFFFAOYSA-N 1 2 363.458 3.044 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCOc1ccccc1 ZINC000447809456 500666640 /nfs/dbraw/zinc/66/66/40/500666640.db2.gz ZDXDOSZKPKHPAG-UHFFFAOYSA-N 1 2 371.437 3.308 20 5 FGBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC12CCC2 ZINC000447814356 500668202 /nfs/dbraw/zinc/66/82/02/500668202.db2.gz ZQJNLUJLIRSJHO-MRXNPFEDSA-N 1 2 359.470 3.444 20 5 FGBDLO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573559584 506211901 /nfs/dbraw/zinc/21/19/01/506211901.db2.gz MZDMJAVXPSINQH-SNVBAGLBSA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573559584 506211903 /nfs/dbraw/zinc/21/19/03/506211903.db2.gz MZDMJAVXPSINQH-SNVBAGLBSA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000570672613 506212558 /nfs/dbraw/zinc/21/25/58/506212558.db2.gz FBTKYPZDOITACS-UHFFFAOYSA-N 1 2 373.800 3.465 20 5 FGBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000443330748 500710551 /nfs/dbraw/zinc/71/05/51/500710551.db2.gz CIFBOGGFIBHPTH-QGZVFWFLSA-N 1 2 373.453 3.124 20 5 FGBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000443330748 500710554 /nfs/dbraw/zinc/71/05/54/500710554.db2.gz CIFBOGGFIBHPTH-QGZVFWFLSA-N 1 2 373.453 3.124 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000433755558 500738549 /nfs/dbraw/zinc/73/85/49/500738549.db2.gz HRHVPRYNQMHPQX-UHFFFAOYSA-N 1 2 373.482 3.373 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000433755558 500738551 /nfs/dbraw/zinc/73/85/51/500738551.db2.gz HRHVPRYNQMHPQX-UHFFFAOYSA-N 1 2 373.482 3.373 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000444242960 500822409 /nfs/dbraw/zinc/82/24/09/500822409.db2.gz LHFUZTSLHDLOGI-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000444242960 500822412 /nfs/dbraw/zinc/82/24/12/500822412.db2.gz LHFUZTSLHDLOGI-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO CC(C)COC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448755294 500824931 /nfs/dbraw/zinc/82/49/31/500824931.db2.gz BPBLTWUVGKWUAC-UHFFFAOYSA-N 1 2 372.425 3.058 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000438942523 500838268 /nfs/dbraw/zinc/83/82/68/500838268.db2.gz QAGLQUYNTJISGE-AWEZNQCLSA-N 1 2 361.785 3.245 20 5 FGBDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444657295 500874294 /nfs/dbraw/zinc/87/42/94/500874294.db2.gz KEVGNAIATBGJSX-CYBMUJFWSA-N 1 2 369.429 3.023 20 5 FGBDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444657295 500874298 /nfs/dbraw/zinc/87/42/98/500874298.db2.gz KEVGNAIATBGJSX-CYBMUJFWSA-N 1 2 369.429 3.023 20 5 FGBDLO Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000444742813 500891819 /nfs/dbraw/zinc/89/18/19/500891819.db2.gz GMZKFVGENDLOCO-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1ccc(F)c(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000444742813 500891820 /nfs/dbraw/zinc/89/18/20/500891820.db2.gz GMZKFVGENDLOCO-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000592745805 506227430 /nfs/dbraw/zinc/22/74/30/506227430.db2.gz LWSMJGJPVWAHBF-ZDUSSCGKSA-N 1 2 370.384 3.152 20 5 FGBDLO COc1cccc2c1cc[nH+]c2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450484797 501133614 /nfs/dbraw/zinc/13/36/14/501133614.db2.gz MVWNAVWPVUWOLS-UHFFFAOYSA-N 1 2 353.382 3.190 20 5 FGBDLO CCn1nc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc21 ZINC000446849095 501173317 /nfs/dbraw/zinc/17/33/17/501173317.db2.gz LSDGIGADPLKWKT-UHFFFAOYSA-N 1 2 350.382 3.131 20 5 FGBDLO CS[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450178873 501202069 /nfs/dbraw/zinc/20/20/69/501202069.db2.gz BMNHFHPGEIZBSI-CQSZACIVSA-N 1 2 360.439 3.138 20 5 FGBDLO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450774241 501206081 /nfs/dbraw/zinc/20/60/81/501206081.db2.gz NVWZWICFSWBNHJ-QAPCUYQASA-N 1 2 372.425 3.104 20 5 FGBDLO CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450310029 501230759 /nfs/dbraw/zinc/23/07/59/501230759.db2.gz WDLWGULTAWPFSM-RHSMWYFYSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451334292 501267983 /nfs/dbraw/zinc/26/79/83/501267983.db2.gz SMJPEHRJJBXFPQ-PWSUYJOCSA-N 1 2 368.315 3.193 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nncn1C ZINC000602648542 506243867 /nfs/dbraw/zinc/24/38/67/506243867.db2.gz BLSYVPGNFDWDDE-JTQLQIEISA-N 1 2 374.264 3.034 20 5 FGBDLO COCC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCCC1 ZINC000453301184 501311656 /nfs/dbraw/zinc/31/16/56/501311656.db2.gz WWUUJCUDBQSEDX-UHFFFAOYSA-N 1 2 369.381 3.289 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453404361 501324750 /nfs/dbraw/zinc/32/47/50/501324750.db2.gz RMRWXTJVFMZFAC-GOSISDBHSA-N 1 2 358.442 3.214 20 5 FGBDLO CC(C)OCCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451949840 501406701 /nfs/dbraw/zinc/40/67/01/501406701.db2.gz DYHWGCPMGIAJPG-UHFFFAOYSA-N 1 2 358.385 3.279 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456392383 501515953 /nfs/dbraw/zinc/51/59/53/501515953.db2.gz PWCVVRATORZACM-WDEREUQCSA-N 1 2 366.805 3.109 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456392379 501515975 /nfs/dbraw/zinc/51/59/75/501515975.db2.gz PWCVVRATORZACM-GHMZBOCLSA-N 1 2 366.805 3.109 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000459121535 501597849 /nfs/dbraw/zinc/59/78/49/501597849.db2.gz RWDXHKJEDUSGEI-CQSZACIVSA-N 1 2 359.430 3.492 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2[nH+]ccn21 ZINC000459124101 501598324 /nfs/dbraw/zinc/59/83/24/501598324.db2.gz UWDFEQUEJNZARR-SWLSCSKDSA-N 1 2 355.398 3.171 20 5 FGBDLO Cc1cc(C)c(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000456859011 501611253 /nfs/dbraw/zinc/61/12/53/501611253.db2.gz MRFAGEBBJPWWAD-UHFFFAOYSA-N 1 2 368.437 3.139 20 5 FGBDLO O=[N+]([O-])c1ccc2ncnc(NCc3[nH+]ccn3CCc3ccccc3)c2c1 ZINC000611709104 506267396 /nfs/dbraw/zinc/26/73/96/506267396.db2.gz QAIQHRHAQISDSA-UHFFFAOYSA-N 1 2 374.404 3.011 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000463950541 501860157 /nfs/dbraw/zinc/86/01/57/501860157.db2.gz NVBJGFOHOXVIPI-UHFFFAOYSA-N 1 2 371.319 3.292 20 5 FGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000485763862 501928380 /nfs/dbraw/zinc/92/83/80/501928380.db2.gz DKHCJIQUYDGTFA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000485763862 501928389 /nfs/dbraw/zinc/92/83/89/501928389.db2.gz DKHCJIQUYDGTFA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000478367427 501955642 /nfs/dbraw/zinc/95/56/42/501955642.db2.gz GAJQBYCVPGBZFN-OAHLLOKOSA-N 1 2 370.453 3.087 20 5 FGBDLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000482244438 502019120 /nfs/dbraw/zinc/01/91/20/502019120.db2.gz NSUZXNQFJNWSAM-UHFFFAOYSA-N 1 2 364.785 3.333 20 5 FGBDLO CN(C[C@@H](O)COCc1ccccc1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599041863 506290608 /nfs/dbraw/zinc/29/06/08/506290608.db2.gz CPFMIYMDSLPRPH-QGZVFWFLSA-N 1 2 367.405 3.157 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000602781928 506295843 /nfs/dbraw/zinc/29/58/43/506295843.db2.gz IEWPPIKTQQYMMF-UHFFFAOYSA-N 1 2 358.398 3.289 20 5 FGBDLO COc1ccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000602782632 506296992 /nfs/dbraw/zinc/29/69/92/506296992.db2.gz FCVCBCKJLMEEKA-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000602782632 506296997 /nfs/dbraw/zinc/29/69/97/506296997.db2.gz FCVCBCKJLMEEKA-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470015047 502631057 /nfs/dbraw/zinc/63/10/57/502631057.db2.gz JQTIGGWLFSFDIN-LLVKDONJSA-N 1 2 371.224 3.288 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470015047 502631054 /nfs/dbraw/zinc/63/10/54/502631054.db2.gz JQTIGGWLFSFDIN-LLVKDONJSA-N 1 2 371.224 3.288 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596258167 506330362 /nfs/dbraw/zinc/33/03/62/506330362.db2.gz WFKKTDKJJQYCBY-SECBINFHSA-N 1 2 352.778 3.424 20 5 FGBDLO CC[N@H+](CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000463428545 502797268 /nfs/dbraw/zinc/79/72/68/502797268.db2.gz FCFRJHRLKPOGPL-UHFFFAOYSA-N 1 2 370.453 3.064 20 5 FGBDLO CC[N@@H+](CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000463428545 502797273 /nfs/dbraw/zinc/79/72/73/502797273.db2.gz FCFRJHRLKPOGPL-UHFFFAOYSA-N 1 2 370.453 3.064 20 5 FGBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488856438 502825859 /nfs/dbraw/zinc/82/58/59/502825859.db2.gz MSHOKVZLIULHRU-UHFFFAOYSA-N 1 2 361.442 3.171 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000501006228 502910927 /nfs/dbraw/zinc/91/09/27/502910927.db2.gz UBKBSAVBEVYIBE-XQRVVYSFSA-N 1 2 365.433 3.374 20 5 FGBDLO COc1ccc(OCC[N@@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061422 502924709 /nfs/dbraw/zinc/92/47/09/502924709.db2.gz FGHSCRLUBRDLCR-HNAYVOBHSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061422 502924713 /nfs/dbraw/zinc/92/47/13/502924713.db2.gz FGHSCRLUBRDLCR-HNAYVOBHSA-N 1 2 372.421 3.444 20 5 FGBDLO CCOc1ncccc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513761057 503017828 /nfs/dbraw/zinc/01/78/28/503017828.db2.gz LVDNTJCJDMVZJF-QGZVFWFLSA-N 1 2 367.409 3.001 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513995527 503062938 /nfs/dbraw/zinc/06/29/38/503062938.db2.gz YAGFTXWBNRSNAL-MRXNPFEDSA-N 1 2 363.776 3.174 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864472 503096128 /nfs/dbraw/zinc/09/61/28/503096128.db2.gz UVCSLAYTHNTZMK-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864472 503096133 /nfs/dbraw/zinc/09/61/33/503096133.db2.gz UVCSLAYTHNTZMK-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000510581992 503149150 /nfs/dbraw/zinc/14/91/50/503149150.db2.gz SEECSODFWBZDNV-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000510581992 503149153 /nfs/dbraw/zinc/14/91/53/503149153.db2.gz SEECSODFWBZDNV-UHFFFAOYSA-N 1 2 360.395 3.217 20 5 FGBDLO COc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000498308902 503155044 /nfs/dbraw/zinc/15/50/44/503155044.db2.gz HACHSIWOLIMSFL-ZDUSSCGKSA-N 1 2 366.377 3.280 20 5 FGBDLO CCc1c(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000511107557 503256694 /nfs/dbraw/zinc/25/66/94/503256694.db2.gz KQXNVWCPRHSXDP-UHFFFAOYSA-N 1 2 371.437 3.354 20 5 FGBDLO CCc1c(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000511107557 503256695 /nfs/dbraw/zinc/25/66/95/503256695.db2.gz KQXNVWCPRHSXDP-UHFFFAOYSA-N 1 2 371.437 3.354 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000507310305 503274772 /nfs/dbraw/zinc/27/47/72/503274772.db2.gz BSVORXJCHFBUTD-UHFFFAOYSA-N 1 2 362.455 3.456 20 5 FGBDLO C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1[N+](=O)[O-] ZINC000491993746 503342447 /nfs/dbraw/zinc/34/24/47/503342447.db2.gz AUMYUMYCNCMSSU-ZDUSSCGKSA-N 1 2 366.381 3.117 20 5 FGBDLO Cc1cc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000493103526 503406861 /nfs/dbraw/zinc/40/68/61/503406861.db2.gz IPHJHVNDSRCLDE-QGZVFWFLSA-N 1 2 350.378 3.488 20 5 FGBDLO CC(C)c1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000508504260 503507739 /nfs/dbraw/zinc/50/77/39/503507739.db2.gz QWOWBLXLFFXYPK-UHFFFAOYSA-N 1 2 351.410 3.392 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3cccc(Cl)c3F)nc2c1 ZINC000499939949 503515852 /nfs/dbraw/zinc/51/58/52/503515852.db2.gz PAWCGHOIUBWFEE-AWEZNQCLSA-N 1 2 364.764 3.087 20 5 FGBDLO CCn1cc(C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593080314 506380684 /nfs/dbraw/zinc/38/06/84/506380684.db2.gz MCPOXELXSMFPHJ-UHFFFAOYSA-N 1 2 350.394 3.370 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593080314 506380692 /nfs/dbraw/zinc/38/06/92/506380692.db2.gz MCPOXELXSMFPHJ-UHFFFAOYSA-N 1 2 350.394 3.370 20 5 FGBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000500446886 503627180 /nfs/dbraw/zinc/62/71/80/503627180.db2.gz HYZKFNBZLRMCKK-UHFFFAOYSA-N 1 2 355.398 3.491 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000537136251 503813983 /nfs/dbraw/zinc/81/39/83/503813983.db2.gz UCFQMYHBCOQOBH-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537154868 503820522 /nfs/dbraw/zinc/82/05/22/503820522.db2.gz KUECCKYIFURJOZ-LBPRGKRZSA-N 1 2 361.373 3.340 20 5 FGBDLO Cc1c(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000533497998 503865137 /nfs/dbraw/zinc/86/51/37/503865137.db2.gz WEICZXDZZFPPOX-LJQANCHMSA-N 1 2 364.405 3.085 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000541143873 504021522 /nfs/dbraw/zinc/02/15/22/504021522.db2.gz PZGMVQXFCTXHGY-MRXNPFEDSA-N 1 2 363.801 3.498 20 5 FGBDLO C[N@H+](CCc1ccccc1O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544186609 504039392 /nfs/dbraw/zinc/03/93/92/504039392.db2.gz GPJJXWRLDBNMRK-UHFFFAOYSA-N 1 2 363.801 3.067 20 5 FGBDLO C[N@@H+](CCc1ccccc1O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544186609 504039397 /nfs/dbraw/zinc/03/93/97/504039397.db2.gz GPJJXWRLDBNMRK-UHFFFAOYSA-N 1 2 363.801 3.067 20 5 FGBDLO Cc1ccc(CCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000541280254 504072332 /nfs/dbraw/zinc/07/23/32/504072332.db2.gz BSCWLLBUPABCFQ-UHFFFAOYSA-N 1 2 373.478 3.355 20 5 FGBDLO COCC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C)o1 ZINC000544473427 504147374 /nfs/dbraw/zinc/14/73/74/504147374.db2.gz LPDGHUAHNUCDJU-HNNXBMFYSA-N 1 2 372.381 3.414 20 5 FGBDLO CC(C)(C)C1=CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542254148 504424947 /nfs/dbraw/zinc/42/49/47/504424947.db2.gz OZAYIFDBBJZORR-UHFFFAOYSA-N 1 2 352.456 3.047 20 5 FGBDLO CC(C)(C)C1=CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542254148 504424949 /nfs/dbraw/zinc/42/49/49/504424949.db2.gz OZAYIFDBBJZORR-UHFFFAOYSA-N 1 2 352.456 3.047 20 5 FGBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[nH]1 ZINC000535688886 504508351 /nfs/dbraw/zinc/50/83/51/504508351.db2.gz APMXXVZSEGSCBX-LLVKDONJSA-N 1 2 371.397 3.395 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932243 504643614 /nfs/dbraw/zinc/64/36/14/504643614.db2.gz SLFSORQXBMLNLV-OAHLLOKOSA-N 1 2 362.348 3.129 20 5 FGBDLO CN1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000532546612 504688372 /nfs/dbraw/zinc/68/83/72/504688372.db2.gz FRGUEJSGXMFJOM-UHFFFAOYSA-N 1 2 374.828 3.139 20 5 FGBDLO CN1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000532546612 504688373 /nfs/dbraw/zinc/68/83/73/504688373.db2.gz FRGUEJSGXMFJOM-UHFFFAOYSA-N 1 2 374.828 3.139 20 5 FGBDLO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000539971263 504751334 /nfs/dbraw/zinc/75/13/34/504751334.db2.gz MQXSMWVGFCSTAE-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559142405 504789981 /nfs/dbraw/zinc/78/99/81/504789981.db2.gz FPLCSWVZNUUQSR-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559142405 504789985 /nfs/dbraw/zinc/78/99/85/504789985.db2.gz FPLCSWVZNUUQSR-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000553273896 504871107 /nfs/dbraw/zinc/87/11/07/504871107.db2.gz CCDCTTMRLICPPS-STQMWFEESA-N 1 2 360.389 3.355 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000553273894 504871426 /nfs/dbraw/zinc/87/14/26/504871426.db2.gz CCDCTTMRLICPPS-BETUJISGSA-N 1 2 360.389 3.355 20 5 FGBDLO Cc1cn2cc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000565440893 504887191 /nfs/dbraw/zinc/88/71/91/504887191.db2.gz NDHAPZUDOKEXBC-UHFFFAOYSA-N 1 2 353.382 3.257 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000565627053 504941606 /nfs/dbraw/zinc/94/16/06/504941606.db2.gz OWHWAJRYGNELGB-LBPRGKRZSA-N 1 2 356.357 3.110 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000550161446 504981807 /nfs/dbraw/zinc/98/18/07/504981807.db2.gz LRXBIWNIOAQLAX-UHFFFAOYSA-N 1 2 356.407 3.350 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cn21 ZINC000550557077 505062495 /nfs/dbraw/zinc/06/24/95/505062495.db2.gz DZWRVYZZTFHLFU-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO Cc1nn(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1Br ZINC000566692029 505245192 /nfs/dbraw/zinc/24/51/92/505245192.db2.gz NPNYGNFUPFQPCH-UHFFFAOYSA-N 1 2 367.247 3.074 20 5 FGBDLO Cc1nn(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1Br ZINC000566692029 505245194 /nfs/dbraw/zinc/24/51/94/505245194.db2.gz NPNYGNFUPFQPCH-UHFFFAOYSA-N 1 2 367.247 3.074 20 5 FGBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000558023016 505287886 /nfs/dbraw/zinc/28/78/86/505287886.db2.gz SMVOQQQGDNAYLT-UHFFFAOYSA-N 1 2 374.198 3.176 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000554958676 505311994 /nfs/dbraw/zinc/31/19/94/505311994.db2.gz STOCXXSFGLVTQG-OAHLLOKOSA-N 1 2 350.806 3.290 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000554958676 505311998 /nfs/dbraw/zinc/31/19/98/505311998.db2.gz STOCXXSFGLVTQG-OAHLLOKOSA-N 1 2 350.806 3.290 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000561366430 505327387 /nfs/dbraw/zinc/32/73/87/505327387.db2.gz BYXGTGZRPQWSIL-UHFFFAOYSA-N 1 2 365.393 3.412 20 5 FGBDLO C[C@H](Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)n1cc[nH+]c1 ZINC000567357543 505440117 /nfs/dbraw/zinc/44/01/17/505440117.db2.gz PKTGMFBQINBYKT-LLVKDONJSA-N 1 2 354.370 3.003 20 5 FGBDLO CC(C)CCn1ccc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552280679 505449399 /nfs/dbraw/zinc/44/93/99/505449399.db2.gz POARHHRTJDDAGY-SFHVURJKSA-N 1 2 368.441 3.194 20 5 FGBDLO Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000555740306 505504552 /nfs/dbraw/zinc/50/45/52/505504552.db2.gz YLLZWHNQXAYCHG-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792928 505516418 /nfs/dbraw/zinc/51/64/18/505516418.db2.gz XHIXITHCTAWTOU-BLLLJJGKSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792928 505516423 /nfs/dbraw/zinc/51/64/23/505516423.db2.gz XHIXITHCTAWTOU-BLLLJJGKSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000582814575 506432201 /nfs/dbraw/zinc/43/22/01/506432201.db2.gz AFKHSBVVEBFGMZ-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000589108064 506443880 /nfs/dbraw/zinc/44/38/80/506443880.db2.gz KSKPGYATORYZRD-UHFFFAOYSA-N 1 2 361.833 3.453 20 5 FGBDLO Cc1c(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000582913758 506487498 /nfs/dbraw/zinc/48/74/98/506487498.db2.gz SJIYAPBKRFIMCJ-SNVBAGLBSA-N 1 2 356.304 3.311 20 5 FGBDLO Cn1cc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c([N+](=O)[O-])n1 ZINC000603424369 506509777 /nfs/dbraw/zinc/50/97/77/506509777.db2.gz WUDDRHBQBFWTFG-UHFFFAOYSA-N 1 2 353.382 3.107 20 5 FGBDLO Cc1c(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000582996827 506530337 /nfs/dbraw/zinc/53/03/37/506530337.db2.gz YNMLTMKDAOOQQJ-UHFFFAOYSA-N 1 2 364.405 3.007 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000589372810 506532620 /nfs/dbraw/zinc/53/26/20/506532620.db2.gz IOLLGNONGUCUJT-UHFFFAOYSA-N 1 2 367.409 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599634997 506542555 /nfs/dbraw/zinc/54/25/55/506542555.db2.gz IOQPDGPDVKZSRD-RSPPDBIESA-N 1 2 362.373 3.099 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599634997 506542559 /nfs/dbraw/zinc/54/25/59/506542559.db2.gz IOQPDGPDVKZSRD-RSPPDBIESA-N 1 2 362.373 3.099 20 5 FGBDLO CCc1ccc([C@H]([NH2+]CC(=O)NC2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411270 506569141 /nfs/dbraw/zinc/56/91/41/506569141.db2.gz JQABYGRUVLXKPH-HXUWFJFHSA-N 1 2 371.437 3.488 20 5 FGBDLO Cc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000603700000 506599149 /nfs/dbraw/zinc/59/91/49/506599149.db2.gz NSCJRWKNUBVRDU-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO CC(C)(C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000608806015 506716356 /nfs/dbraw/zinc/71/63/56/506716356.db2.gz BKXXMJHZTCALCV-UHFFFAOYSA-N 1 2 367.365 3.352 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)CC2 ZINC000599992959 506739512 /nfs/dbraw/zinc/73/95/12/506739512.db2.gz PTAJYXHGIRDRCF-CYBMUJFWSA-N 1 2 357.414 3.121 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000600161155 506812937 /nfs/dbraw/zinc/81/29/37/506812937.db2.gz JFDJWENRBAQIGX-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597227819 506848708 /nfs/dbraw/zinc/84/87/08/506848708.db2.gz VFWMIPQUIWRGQU-UHFFFAOYSA-N 1 2 362.426 3.003 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597227819 506848712 /nfs/dbraw/zinc/84/87/12/506848712.db2.gz VFWMIPQUIWRGQU-UHFFFAOYSA-N 1 2 362.426 3.003 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000609323113 506851072 /nfs/dbraw/zinc/85/10/72/506851072.db2.gz UFKIZAAEVAMMNJ-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000609323113 506851080 /nfs/dbraw/zinc/85/10/80/506851080.db2.gz UFKIZAAEVAMMNJ-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583607509 506874997 /nfs/dbraw/zinc/87/49/97/506874997.db2.gz SHKJMRAEWSPJTH-KRWDZBQOSA-N 1 2 371.441 3.161 20 5 FGBDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000609533280 506911159 /nfs/dbraw/zinc/91/11/59/506911159.db2.gz SDAIREMLEFUQNL-UHFFFAOYSA-N 1 2 371.422 3.264 20 5 FGBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000609533280 506911164 /nfs/dbraw/zinc/91/11/64/506911164.db2.gz SDAIREMLEFUQNL-UHFFFAOYSA-N 1 2 371.422 3.264 20 5 FGBDLO COc1cccc2c1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000590759680 506941327 /nfs/dbraw/zinc/94/13/27/506941327.db2.gz GZGKFLBDNJIFFZ-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000590759680 506941335 /nfs/dbraw/zinc/94/13/35/506941335.db2.gz GZGKFLBDNJIFFZ-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000609657182 506963245 /nfs/dbraw/zinc/96/32/45/506963245.db2.gz UDNDUHJGFHZBFQ-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594206894 507008893 /nfs/dbraw/zinc/00/88/93/507008893.db2.gz SGNSNCFXVYUVBM-HNNXBMFYSA-N 1 2 370.409 3.002 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000600590234 507020934 /nfs/dbraw/zinc/02/09/34/507020934.db2.gz LELGEKBMLUYLFI-KRWDZBQOSA-N 1 2 360.385 3.040 20 5 FGBDLO Cc1cccn2cc(CC(=O)N3CCCc4ccc([N+](=O)[O-])cc43)[nH+]c12 ZINC000609860090 507028544 /nfs/dbraw/zinc/02/85/44/507028544.db2.gz QETDBFVRAPQJSA-UHFFFAOYSA-N 1 2 350.378 3.073 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000609995301 507066053 /nfs/dbraw/zinc/06/60/53/507066053.db2.gz XVHRXIMHEFJABN-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO CC(C)Oc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000591036637 507087860 /nfs/dbraw/zinc/08/78/60/507087860.db2.gz BNOUCIPLZBMZIX-UHFFFAOYSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1OC ZINC000610170434 507124203 /nfs/dbraw/zinc/12/42/03/507124203.db2.gz BRNAIEHNSLWOAZ-UHFFFAOYSA-N 1 2 368.349 3.050 20 5 FGBDLO C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610190618 507132535 /nfs/dbraw/zinc/13/25/35/507132535.db2.gz QXWQUVBTJZEGTB-AZUAARDMSA-N 1 2 362.389 3.241 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597940914 507188091 /nfs/dbraw/zinc/18/80/91/507188091.db2.gz MRKJONWBUBEXLN-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000594609351 507209127 /nfs/dbraw/zinc/20/91/27/507209127.db2.gz SSUULMXFCVNVMR-OAHLLOKOSA-N 1 2 364.364 3.090 20 5 FGBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000594609351 507209132 /nfs/dbraw/zinc/20/91/32/507209132.db2.gz SSUULMXFCVNVMR-OAHLLOKOSA-N 1 2 364.364 3.090 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000600999036 507220460 /nfs/dbraw/zinc/22/04/60/507220460.db2.gz RJUMVLBEIAKGEZ-UHFFFAOYSA-N 1 2 372.400 3.295 20 5 FGBDLO CSc1ccncc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610544190 507284760 /nfs/dbraw/zinc/28/47/60/507284760.db2.gz VRPYZPGFXZCGBF-UHFFFAOYSA-N 1 2 355.379 3.150 20 5 FGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595093345 507388154 /nfs/dbraw/zinc/38/81/54/507388154.db2.gz ABLWSYHJCCLUFF-MSOLQXFVSA-N 1 2 358.442 3.213 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(Cl)cc1F)OCCO2 ZINC000614579999 507571556 /nfs/dbraw/zinc/57/15/56/507571556.db2.gz YCPSDRRABZEXKN-UHFFFAOYSA-N 1 2 352.749 3.448 20 5 FGBDLO O=C(C[NH+]1CCC(c2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611258814 507586428 /nfs/dbraw/zinc/58/64/28/507586428.db2.gz QEWCTSLAVFJQCR-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595657536 507618091 /nfs/dbraw/zinc/61/80/91/507618091.db2.gz MTMVTBFWDDGLBN-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657536 507618094 /nfs/dbraw/zinc/61/80/94/507618094.db2.gz MTMVTBFWDDGLBN-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(F)c1 ZINC000595746586 507660819 /nfs/dbraw/zinc/66/08/19/507660819.db2.gz DTFPVHZHACWOOI-GOEBONIOSA-N 1 2 362.376 3.471 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(F)c1 ZINC000595746586 507660824 /nfs/dbraw/zinc/66/08/24/507660824.db2.gz DTFPVHZHACWOOI-GOEBONIOSA-N 1 2 362.376 3.471 20 5 FGBDLO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764401 507673882 /nfs/dbraw/zinc/67/38/82/507673882.db2.gz HYJGOWMYBQHGPB-FQEVSTJZSA-N 1 2 369.421 3.206 20 5 FGBDLO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000595764401 507673889 /nfs/dbraw/zinc/67/38/89/507673889.db2.gz HYJGOWMYBQHGPB-FQEVSTJZSA-N 1 2 369.421 3.206 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccon2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595828305 507703976 /nfs/dbraw/zinc/70/39/76/507703976.db2.gz KJBRVLTXKUHCSH-UHFFFAOYSA-N 1 2 364.789 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(-n4cc[nH+]c4)c3)CC2)cn1 ZINC000602428039 507709255 /nfs/dbraw/zinc/70/92/55/507709255.db2.gz NFFWUPKXYRUSBH-UHFFFAOYSA-N 1 2 364.409 3.256 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000602461263 507718187 /nfs/dbraw/zinc/71/81/87/507718187.db2.gz FBQBUMRYKAZIEW-UHFFFAOYSA-N 1 2 355.316 3.003 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000602461263 507718191 /nfs/dbraw/zinc/71/81/91/507718191.db2.gz FBQBUMRYKAZIEW-UHFFFAOYSA-N 1 2 355.316 3.003 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000602483293 507722269 /nfs/dbraw/zinc/72/22/69/507722269.db2.gz IPYPMHGVYUBMTH-LBPRGKRZSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000602483293 507722273 /nfs/dbraw/zinc/72/22/73/507722273.db2.gz IPYPMHGVYUBMTH-LBPRGKRZSA-N 1 2 369.347 3.420 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1Br ZINC000602486315 507723950 /nfs/dbraw/zinc/72/39/50/507723950.db2.gz SYIYAMZZDIEYEF-BXKDBHETSA-N 1 2 361.261 3.420 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Br ZINC000602486315 507723953 /nfs/dbraw/zinc/72/39/53/507723953.db2.gz SYIYAMZZDIEYEF-BXKDBHETSA-N 1 2 361.261 3.420 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000080301113 700314744 /nfs/dbraw/zinc/31/47/44/700314744.db2.gz LRQUXVJDJPWAIO-UHFFFAOYSA-N 1 2 363.439 3.212 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000080301113 700314746 /nfs/dbraw/zinc/31/47/46/700314746.db2.gz LRQUXVJDJPWAIO-UHFFFAOYSA-N 1 2 363.439 3.212 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000618375385 714743218 /nfs/dbraw/zinc/74/32/18/714743218.db2.gz MJJSDBXPQUEFRM-UHFFFAOYSA-N 1 2 367.184 3.319 20 5 FGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000779859942 724431204 /nfs/dbraw/zinc/43/12/04/724431204.db2.gz ORWCHCBKRFQLTP-AWEZNQCLSA-N 1 2 350.806 3.254 20 5 FGBDLO Cc1nn(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000779859942 724431207 /nfs/dbraw/zinc/43/12/07/724431207.db2.gz ORWCHCBKRFQLTP-AWEZNQCLSA-N 1 2 350.806 3.254 20 5 FGBDLO Cc1cn2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000739385782 722532838 /nfs/dbraw/zinc/53/28/38/722532838.db2.gz WPUJRROHFWEWTK-UHFFFAOYSA-N 1 2 366.786 3.005 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O2 ZINC000797605989 723841616 /nfs/dbraw/zinc/84/16/16/723841616.db2.gz WUAPWBRFASEOQD-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O2 ZINC000797605989 723841618 /nfs/dbraw/zinc/84/16/18/723841618.db2.gz WUAPWBRFASEOQD-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799197564 723997632 /nfs/dbraw/zinc/99/76/32/723997632.db2.gz YPQIHBFEDWEYGD-GFCCVEGCSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2ccccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799197564 723997633 /nfs/dbraw/zinc/99/76/33/723997633.db2.gz YPQIHBFEDWEYGD-GFCCVEGCSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778173825 724306655 /nfs/dbraw/zinc/30/66/55/724306655.db2.gz YPKQXWQFFRBROR-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778173825 724306659 /nfs/dbraw/zinc/30/66/59/724306659.db2.gz YPKQXWQFFRBROR-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239881 724369129 /nfs/dbraw/zinc/36/91/29/724369129.db2.gz OLSNXOPYCHIKRG-CYBMUJFWSA-N 1 2 356.419 3.298 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239881 724369135 /nfs/dbraw/zinc/36/91/35/724369135.db2.gz OLSNXOPYCHIKRG-CYBMUJFWSA-N 1 2 356.419 3.298 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(C3OCCO3)s2)C2CC2)c1 ZINC000809545085 725245922 /nfs/dbraw/zinc/24/59/22/725245922.db2.gz HHYNYUBETSPSAJ-UHFFFAOYSA-N 1 2 361.423 3.261 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(C3OCCO3)s2)C2CC2)c1 ZINC000809545085 725245924 /nfs/dbraw/zinc/24/59/24/725245924.db2.gz HHYNYUBETSPSAJ-UHFFFAOYSA-N 1 2 361.423 3.261 20 5 FGBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998196 725281335 /nfs/dbraw/zinc/28/13/35/725281335.db2.gz NJEMVTRATBUJEZ-LLVKDONJSA-N 1 2 362.257 3.054 20 5 FGBDLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000823218267 729264485 /nfs/dbraw/zinc/26/44/85/729264485.db2.gz BXMLFZYXERLTIQ-GXFFZTMASA-N 1 2 356.304 3.162 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000823389575 729274724 /nfs/dbraw/zinc/27/47/24/729274724.db2.gz KQZPDYFGBCZYHE-NSHDSACASA-N 1 2 368.777 3.030 20 5 FGBDLO Cc1cccc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000877694182 736706945 /nfs/dbraw/zinc/70/69/45/736706945.db2.gz CYUDOCIDGKAGNY-UHFFFAOYSA-N 1 2 359.451 3.359 20 5 FGBDLO COc1c(O)ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000893120482 742113167 /nfs/dbraw/zinc/11/31/67/742113167.db2.gz ZIBMEGJBRYVPGK-LBPRGKRZSA-N 1 2 350.758 3.186 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC(F)F)C1CCC1 ZINC000895139381 742379863 /nfs/dbraw/zinc/37/98/63/742379863.db2.gz DBDADBJMPGRJBN-UHFFFAOYSA-N 1 2 350.325 3.040 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2OC)c([N+](=O)[O-])cc1O ZINC000897483078 742682593 /nfs/dbraw/zinc/68/25/93/742682593.db2.gz ITIQCNYNYWQNKG-UHFFFAOYSA-N 1 2 352.774 3.261 20 5 FGBDLO CC(C)[N@@H+](Cc1cccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000919954117 758493769 /nfs/dbraw/zinc/49/37/69/758493769.db2.gz INYOQSKOOKSSJL-UHFFFAOYSA-N 1 2 359.407 3.120 20 5 FGBDLO CC(C)[N@H+](Cc1cccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000919954117 758493773 /nfs/dbraw/zinc/49/37/73/758493773.db2.gz INYOQSKOOKSSJL-UHFFFAOYSA-N 1 2 359.407 3.120 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570903220 505607689 /nfs/dbraw/zinc/60/76/89/505607689.db2.gz YGDZAPMKFUUBAE-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570903220 505607691 /nfs/dbraw/zinc/60/76/91/505607691.db2.gz YGDZAPMKFUUBAE-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576967700 505635373 /nfs/dbraw/zinc/63/53/73/505635373.db2.gz SPZXKTBKTACBIS-KRWDZBQOSA-N 1 2 364.409 3.079 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000576992190 505640444 /nfs/dbraw/zinc/64/04/44/505640444.db2.gz WETPTQVZNHQJRO-ZDUSSCGKSA-N 1 2 372.759 3.493 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000576992190 505640446 /nfs/dbraw/zinc/64/04/46/505640446.db2.gz WETPTQVZNHQJRO-ZDUSSCGKSA-N 1 2 372.759 3.493 20 5 FGBDLO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029749 493875231 /nfs/dbraw/zinc/87/52/31/493875231.db2.gz QSEYUBJRGLCFHV-GOSISDBHSA-N 1 2 369.421 3.122 20 5 FGBDLO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029749 493875235 /nfs/dbraw/zinc/87/52/35/493875235.db2.gz QSEYUBJRGLCFHV-GOSISDBHSA-N 1 2 369.421 3.122 20 5 FGBDLO CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000081828242 493961168 /nfs/dbraw/zinc/96/11/68/493961168.db2.gz JQGQIWINRFKVMW-UHFFFAOYSA-N 1 2 354.410 3.082 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COCc2cccs2)cc1 ZINC000051451896 493970694 /nfs/dbraw/zinc/97/06/94/493970694.db2.gz VTQGVKCYGNSWPT-OAHLLOKOSA-N 1 2 359.407 3.098 20 5 FGBDLO Cc1cccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000083132521 493998873 /nfs/dbraw/zinc/99/88/73/493998873.db2.gz RFKDOWGBKXKMKJ-UHFFFAOYSA-N 1 2 352.394 3.367 20 5 FGBDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000063605023 494069263 /nfs/dbraw/zinc/06/92/63/494069263.db2.gz RBIAWVZHKALCRE-LJQANCHMSA-N 1 2 371.437 3.303 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052971551 494080212 /nfs/dbraw/zinc/08/02/12/494080212.db2.gz AZOBOBKFPKZEBD-UHFFFAOYSA-N 1 2 363.377 3.164 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC000052993922 494082466 /nfs/dbraw/zinc/08/24/66/494082466.db2.gz DVWUMFMJDXTSCT-UHFFFAOYSA-N 1 2 359.382 3.108 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC000052993922 494082469 /nfs/dbraw/zinc/08/24/69/494082469.db2.gz DVWUMFMJDXTSCT-UHFFFAOYSA-N 1 2 359.382 3.108 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000085620084 494135038 /nfs/dbraw/zinc/13/50/38/494135038.db2.gz AUOJTCIQQACESO-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771242 494247657 /nfs/dbraw/zinc/24/76/57/494247657.db2.gz RVZCFAWZLNYCEG-AXFHLTTASA-N 1 2 357.863 3.401 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771242 494247659 /nfs/dbraw/zinc/24/76/59/494247659.db2.gz RVZCFAWZLNYCEG-AXFHLTTASA-N 1 2 357.863 3.401 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043149454 494270990 /nfs/dbraw/zinc/27/09/90/494270990.db2.gz QKCRWQUWQMOEDM-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000055032750 494291780 /nfs/dbraw/zinc/29/17/80/494291780.db2.gz QOQVEYRRASFVLV-UHFFFAOYSA-N 1 2 360.439 3.442 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000073124092 494324904 /nfs/dbraw/zinc/32/49/04/494324904.db2.gz KNRZFXONXGIUCH-MRXNPFEDSA-N 1 2 351.366 3.239 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccn1 ZINC000055516537 494353458 /nfs/dbraw/zinc/35/34/58/494353458.db2.gz UCCHDKUXBDJZIT-INIZCTEOSA-N 1 2 363.377 3.153 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044948062 494389087 /nfs/dbraw/zinc/38/90/87/494389087.db2.gz GQYKBQODJQTUBA-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO COc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045442034 494429165 /nfs/dbraw/zinc/42/91/65/494429165.db2.gz HZBKPENDIFKOIS-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO CCC(CC)N(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045742562 494455913 /nfs/dbraw/zinc/45/59/13/494455913.db2.gz RYQZNJXAKZOFCD-UHFFFAOYSA-N 1 2 360.414 3.058 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000067031825 494458439 /nfs/dbraw/zinc/45/84/39/494458439.db2.gz XWKHFULFYBWJCF-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000056520192 494519145 /nfs/dbraw/zinc/51/91/45/494519145.db2.gz ZAVJHCCJVAPZJD-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO Cc1ccn2cc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860885 494538616 /nfs/dbraw/zinc/53/86/16/494538616.db2.gz XITAXBAIIPXGFJ-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO CC(=O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000023381238 494563297 /nfs/dbraw/zinc/56/32/97/494563297.db2.gz ZGEBCAMUGSSUKL-GOSISDBHSA-N 1 2 369.421 3.110 20 5 FGBDLO CC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000023381238 494563300 /nfs/dbraw/zinc/56/33/00/494563300.db2.gz ZGEBCAMUGSSUKL-GOSISDBHSA-N 1 2 369.421 3.110 20 5 FGBDLO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000080135649 494609083 /nfs/dbraw/zinc/60/90/83/494609083.db2.gz OZPGZYGXJVDMRF-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO CCc1nc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000067769042 494641959 /nfs/dbraw/zinc/64/19/59/494641959.db2.gz FBXUPUJGRDUCSY-UHFFFAOYSA-N 1 2 371.422 3.072 20 5 FGBDLO Cc1cc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000047265279 494668450 /nfs/dbraw/zinc/66/84/50/494668450.db2.gz DLWLXKIBCJRCBX-UHFFFAOYSA-N 1 2 361.471 3.200 20 5 FGBDLO CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000075295603 494720312 /nfs/dbraw/zinc/72/03/12/494720312.db2.gz NFAPRCSEFMKGPK-QFBILLFUSA-N 1 2 372.425 3.056 20 5 FGBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000126646259 494809131 /nfs/dbraw/zinc/80/91/31/494809131.db2.gz RHOKLRQAKHUKJF-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000126646259 494809135 /nfs/dbraw/zinc/80/91/35/494809135.db2.gz RHOKLRQAKHUKJF-QWHCGFSZSA-N 1 2 366.439 3.108 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000116895431 494868326 /nfs/dbraw/zinc/86/83/26/494868326.db2.gz PVABTOCIUBGQFT-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000116895431 494868329 /nfs/dbraw/zinc/86/83/29/494868329.db2.gz PVABTOCIUBGQFT-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000116894262 494868604 /nfs/dbraw/zinc/86/86/04/494868604.db2.gz ZEHHNJHRMGUGHC-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000116894262 494868609 /nfs/dbraw/zinc/86/86/09/494868609.db2.gz ZEHHNJHRMGUGHC-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758457 494915447 /nfs/dbraw/zinc/91/54/47/494915447.db2.gz KGOAWRXYUOBWHW-HIFRSBDPSA-N 1 2 362.348 3.270 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758457 494915451 /nfs/dbraw/zinc/91/54/51/494915451.db2.gz KGOAWRXYUOBWHW-HIFRSBDPSA-N 1 2 362.348 3.270 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000133923864 495081108 /nfs/dbraw/zinc/08/11/08/495081108.db2.gz BKOITBQQEOTLQB-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000133923864 495081111 /nfs/dbraw/zinc/08/11/11/495081111.db2.gz BKOITBQQEOTLQB-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111692283 495096153 /nfs/dbraw/zinc/09/61/53/495096153.db2.gz ULZNHBZEGLOENS-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111692283 495096154 /nfs/dbraw/zinc/09/61/54/495096154.db2.gz ULZNHBZEGLOENS-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101920445 495108148 /nfs/dbraw/zinc/10/81/48/495108148.db2.gz PCWUOLPNQKZKIA-AWEZNQCLSA-N 1 2 364.402 3.191 20 5 FGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101920445 495108150 /nfs/dbraw/zinc/10/81/50/495108150.db2.gz PCWUOLPNQKZKIA-AWEZNQCLSA-N 1 2 364.402 3.191 20 5 FGBDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000128534748 495112214 /nfs/dbraw/zinc/11/22/14/495112214.db2.gz XAORKZJVWYLYFQ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000128534748 495112217 /nfs/dbraw/zinc/11/22/17/495112217.db2.gz XAORKZJVWYLYFQ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000119206064 495117269 /nfs/dbraw/zinc/11/72/69/495117269.db2.gz XNXITYVQCKIBAI-UHFFFAOYSA-N 1 2 356.382 3.374 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@@H]2N1 ZINC000123602683 495158867 /nfs/dbraw/zinc/15/88/67/495158867.db2.gz IFCPLAVSULBLNH-IRXDYDNUSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@@H]2N1 ZINC000123602683 495158870 /nfs/dbraw/zinc/15/88/70/495158870.db2.gz IFCPLAVSULBLNH-IRXDYDNUSA-N 1 2 355.394 3.098 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000129024630 495184085 /nfs/dbraw/zinc/18/40/85/495184085.db2.gz OFHIUJWFULGHHI-LBPRGKRZSA-N 1 2 363.414 3.314 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000129309636 495226694 /nfs/dbraw/zinc/22/66/94/495226694.db2.gz MJNPYWPOGHKZKA-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccc(F)cc1 ZINC000135227417 495266000 /nfs/dbraw/zinc/26/60/00/495266000.db2.gz OUQIYWBIUBBQHT-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccc(F)cc1 ZINC000135227417 495266002 /nfs/dbraw/zinc/26/60/02/495266002.db2.gz OUQIYWBIUBBQHT-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124438922 495287813 /nfs/dbraw/zinc/28/78/13/495287813.db2.gz AJZVXFKCTQYEJS-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130012704 495328298 /nfs/dbraw/zinc/32/82/98/495328298.db2.gz ZXMINLDLKWHDRM-CQSZACIVSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120465839 495385587 /nfs/dbraw/zinc/38/55/87/495385587.db2.gz WPIBEVUZTSSIOG-UHFFFAOYSA-N 1 2 356.382 3.374 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000130476234 495397801 /nfs/dbraw/zinc/39/78/01/495397801.db2.gz SQANSVLOGOYYQS-WFASDCNBSA-N 1 2 365.842 3.485 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000130476234 495397805 /nfs/dbraw/zinc/39/78/05/495397805.db2.gz SQANSVLOGOYYQS-WFASDCNBSA-N 1 2 365.842 3.485 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000115560784 495517685 /nfs/dbraw/zinc/51/76/85/495517685.db2.gz ZMVWEYMLEYYUGY-SFHVURJKSA-N 1 2 371.462 3.348 20 5 FGBDLO CN(C(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000115560784 495517686 /nfs/dbraw/zinc/51/76/86/495517686.db2.gz ZMVWEYMLEYYUGY-SFHVURJKSA-N 1 2 371.462 3.348 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574505404 505787825 /nfs/dbraw/zinc/78/78/25/505787825.db2.gz VXGFBYCQEJXUGE-CYBMUJFWSA-N 1 2 352.394 3.173 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185335450 495537099 /nfs/dbraw/zinc/53/70/99/495537099.db2.gz NRBZQLABVLVVQJ-GFCCVEGCSA-N 1 2 361.348 3.301 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185335450 495537105 /nfs/dbraw/zinc/53/71/05/495537105.db2.gz NRBZQLABVLVVQJ-GFCCVEGCSA-N 1 2 361.348 3.301 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000147491782 495575636 /nfs/dbraw/zinc/57/56/36/495575636.db2.gz ZDQHCQZBVWHCMT-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO COC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1C ZINC000580599302 505793702 /nfs/dbraw/zinc/79/37/02/505793702.db2.gz CLGAHXNAVXMWKC-LJQANCHMSA-N 1 2 367.405 3.431 20 5 FGBDLO CCOC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000170913702 495649655 /nfs/dbraw/zinc/64/96/55/495649655.db2.gz IEDSCAMVMUJIQB-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO CCOC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000170913702 495649661 /nfs/dbraw/zinc/64/96/61/495649661.db2.gz IEDSCAMVMUJIQB-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO Cc1cc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000182763367 495694121 /nfs/dbraw/zinc/69/41/21/495694121.db2.gz UFHLXXVCSGICAX-AWEZNQCLSA-N 1 2 357.414 3.123 20 5 FGBDLO COc1cc(CNc2[nH+]c3c(cccc3Cl)n2C)c([N+](=O)[O-])cc1O ZINC000185854385 495751460 /nfs/dbraw/zinc/75/14/60/495751460.db2.gz ZAOBUONAUXZYPK-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000171304038 495811844 /nfs/dbraw/zinc/81/18/44/495811844.db2.gz OOXIPGGHHWSPBO-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO Cc1ccccc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000176987594 495872274 /nfs/dbraw/zinc/87/22/74/495872274.db2.gz HBXFOPMAVKNPGY-UHFFFAOYSA-N 1 2 352.394 3.367 20 5 FGBDLO Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000184021135 496205368 /nfs/dbraw/zinc/20/53/68/496205368.db2.gz LETVWZAHLDQKLT-UHFFFAOYSA-N 1 2 355.398 3.042 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000180982459 496229191 /nfs/dbraw/zinc/22/91/91/496229191.db2.gz IDSGZUVZQXECIM-UHFFFAOYSA-N 1 2 351.366 3.044 20 5 FGBDLO CCOC(=O)c1ccnc(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000172362662 496268253 /nfs/dbraw/zinc/26/82/53/496268253.db2.gz BUBOJBPZLSYPPP-UHFFFAOYSA-N 1 2 369.381 3.088 20 5 FGBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187052281 496271617 /nfs/dbraw/zinc/27/16/17/496271617.db2.gz PDCWEQHUNPUOOX-UHFFFAOYSA-N 1 2 353.338 3.092 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc21 ZINC000153307968 496415690 /nfs/dbraw/zinc/41/56/90/496415690.db2.gz BTYMOXBTAOAAGV-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc21 ZINC000153307968 496415692 /nfs/dbraw/zinc/41/56/92/496415692.db2.gz BTYMOXBTAOAAGV-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184624071 496468111 /nfs/dbraw/zinc/46/81/11/496468111.db2.gz ISKUOUDDKINQBT-IINYFYTJSA-N 1 2 367.789 3.146 20 5 FGBDLO COc1cc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c([N+](=O)[O-])cc1OC ZINC000187582165 496497570 /nfs/dbraw/zinc/49/75/70/496497570.db2.gz KJSUGXNUHBAMHP-UHFFFAOYSA-N 1 2 370.409 3.097 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000181810394 496554803 /nfs/dbraw/zinc/55/48/03/496554803.db2.gz IZCUJERPISBPQT-JTQLQIEISA-N 1 2 353.325 3.451 20 5 FGBDLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000153829053 496593612 /nfs/dbraw/zinc/59/36/12/496593612.db2.gz CYONUUGXQVEBFM-UHFFFAOYSA-N 1 2 363.439 3.237 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)cc1C ZINC000165261994 496653226 /nfs/dbraw/zinc/65/32/26/496653226.db2.gz REXSEUCKYKPFOA-UHFFFAOYSA-N 1 2 355.803 3.369 20 5 FGBDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182171675 496696335 /nfs/dbraw/zinc/69/63/35/496696335.db2.gz HXKCCISEUHAJBB-CQSZACIVSA-N 1 2 355.394 3.337 20 5 FGBDLO CC(C)Oc1nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000572016562 505870698 /nfs/dbraw/zinc/87/06/98/505870698.db2.gz YHNHZGVERRBFLB-QGZVFWFLSA-N 1 2 367.409 3.134 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248383450 496987888 /nfs/dbraw/zinc/98/78/88/496987888.db2.gz ADRGFZWNYTZOAK-KBMXLJTQSA-N 1 2 354.410 3.431 20 5 FGBDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000189516159 497146389 /nfs/dbraw/zinc/14/63/89/497146389.db2.gz LHTFTXZAALKQEZ-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635566 497170763 /nfs/dbraw/zinc/17/07/63/497170763.db2.gz VBLGEWMSQUDUDZ-KBPBESRZSA-N 1 2 359.401 3.432 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635566 497170769 /nfs/dbraw/zinc/17/07/69/497170769.db2.gz VBLGEWMSQUDUDZ-KBPBESRZSA-N 1 2 359.401 3.432 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cs1 ZINC000275052883 497228380 /nfs/dbraw/zinc/22/83/80/497228380.db2.gz LXPIOECMZLUWIK-UHFFFAOYSA-N 1 2 354.819 3.143 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000266049360 497241059 /nfs/dbraw/zinc/24/10/59/497241059.db2.gz ODAVDIWUVZZIDD-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246856 497302063 /nfs/dbraw/zinc/30/20/63/497302063.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246856 497302067 /nfs/dbraw/zinc/30/20/67/497302067.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000271246856 497302070 /nfs/dbraw/zinc/30/20/70/497302070.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000271246856 497302074 /nfs/dbraw/zinc/30/20/74/497302074.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n[nH]1 ZINC000271246856 497302077 /nfs/dbraw/zinc/30/20/77/497302077.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n[nH]1 ZINC000271246856 497302079 /nfs/dbraw/zinc/30/20/79/497302079.db2.gz CNPVNNOOUOELHS-NSHDSACASA-N 1 2 367.356 3.002 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Br ZINC000271307589 497316601 /nfs/dbraw/zinc/31/66/01/497316601.db2.gz VYSZLFZMGQGAAF-TZMCWYRMSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Br ZINC000271307589 497316606 /nfs/dbraw/zinc/31/66/06/497316606.db2.gz VYSZLFZMGQGAAF-TZMCWYRMSA-N 1 2 373.272 3.064 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000255319978 497364525 /nfs/dbraw/zinc/36/45/25/497364525.db2.gz PXTNIJYQKVFSNS-UPHRSURJSA-N 1 2 369.396 3.205 20 5 FGBDLO CC(C)C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000272175641 497557080 /nfs/dbraw/zinc/55/70/80/497557080.db2.gz DWRKDVOEYHEJLQ-CVEARBPZSA-N 1 2 372.425 3.104 20 5 FGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC000279881731 497575154 /nfs/dbraw/zinc/57/51/54/497575154.db2.gz UKCREVJGSINBDV-AWEZNQCLSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC000279881731 497575159 /nfs/dbraw/zinc/57/51/59/497575159.db2.gz UKCREVJGSINBDV-AWEZNQCLSA-N 1 2 373.409 3.020 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268133375 497684596 /nfs/dbraw/zinc/68/45/96/497684596.db2.gz LOORBXRMBQDLEW-NSHDSACASA-N 1 2 363.805 3.061 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000575157677 505932677 /nfs/dbraw/zinc/93/26/77/505932677.db2.gz BHVWISJJTLISJE-INIZCTEOSA-N 1 2 357.801 3.288 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364191688 497833398 /nfs/dbraw/zinc/83/33/98/497833398.db2.gz RYQSURHKVUOOST-QFBILLFUSA-N 1 2 369.421 3.238 20 5 FGBDLO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000292046271 497853968 /nfs/dbraw/zinc/85/39/68/497853968.db2.gz YFCZPYJASRTBEN-SECBINFHSA-N 1 2 357.197 3.164 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572305016 505937883 /nfs/dbraw/zinc/93/78/83/505937883.db2.gz QDTMUQVIPKUQHJ-FQEVSTJZSA-N 1 2 372.421 3.230 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572305016 505937885 /nfs/dbraw/zinc/93/78/85/505937885.db2.gz QDTMUQVIPKUQHJ-FQEVSTJZSA-N 1 2 372.421 3.230 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000281014360 497988090 /nfs/dbraw/zinc/98/80/90/497988090.db2.gz NTCFJJWLJWBLKZ-KRWDZBQOSA-N 1 2 371.441 3.001 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281184453 498047118 /nfs/dbraw/zinc/04/71/18/498047118.db2.gz RQKHKGWLSVXFEA-QGZVFWFLSA-N 1 2 372.425 3.405 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000364615204 498051688 /nfs/dbraw/zinc/05/16/88/498051688.db2.gz VHYZXNNLVKJTKE-STQMWFEESA-N 1 2 360.389 3.036 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285350218 498060179 /nfs/dbraw/zinc/06/01/79/498060179.db2.gz PVXODNPULGWTIU-OLZOCXBDSA-N 1 2 360.364 3.427 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285350218 498060183 /nfs/dbraw/zinc/06/01/83/498060183.db2.gz PVXODNPULGWTIU-OLZOCXBDSA-N 1 2 360.364 3.427 20 5 FGBDLO Cc1nc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000301342765 498065484 /nfs/dbraw/zinc/06/54/84/498065484.db2.gz GSAYWGBCQUCUME-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285392856 498072303 /nfs/dbraw/zinc/07/23/03/498072303.db2.gz CBSJSHBUUPRLOS-CYBMUJFWSA-N 1 2 354.275 3.152 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285392856 498072299 /nfs/dbraw/zinc/07/22/99/498072299.db2.gz CBSJSHBUUPRLOS-CYBMUJFWSA-N 1 2 354.275 3.152 20 5 FGBDLO C[NH+](C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccc1F ZINC000350646264 498127143 /nfs/dbraw/zinc/12/71/43/498127143.db2.gz VIZJEKPXNGBMOO-UHFFFAOYSA-N 1 2 358.329 3.218 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000569659187 505986362 /nfs/dbraw/zinc/98/63/62/505986362.db2.gz KHCYELAFLZMTQR-ZDUSSCGKSA-N 1 2 368.368 3.340 20 5 FGBDLO C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000296745775 498180140 /nfs/dbraw/zinc/18/01/40/498180140.db2.gz UHDOKXKFFWTOMX-DOMZBBRYSA-N 1 2 357.414 3.182 20 5 FGBDLO COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2[nH+]ccn2C)c1 ZINC000301615968 498188825 /nfs/dbraw/zinc/18/88/25/498188825.db2.gz BSQMHFPCKGPHQZ-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)c1 ZINC000301625634 498194269 /nfs/dbraw/zinc/19/42/69/498194269.db2.gz HCKQDRHMWVFDOW-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)ncc1[N+](=O)[O-] ZINC000301785459 498263163 /nfs/dbraw/zinc/26/31/63/498263163.db2.gz KYIBMWYTENGMRT-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000301798991 498268625 /nfs/dbraw/zinc/26/86/25/498268625.db2.gz RIEXFFJRWSXTEW-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000361088160 498343420 /nfs/dbraw/zinc/34/34/20/498343420.db2.gz UNOBZQAPGNWJHZ-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000361088160 498343428 /nfs/dbraw/zinc/34/34/28/498343428.db2.gz UNOBZQAPGNWJHZ-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO C[N@H+](Cc1ccoc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578803978 506024231 /nfs/dbraw/zinc/02/42/31/506024231.db2.gz FAEGFUUBFPSQLX-UHFFFAOYSA-N 1 2 372.162 3.424 20 5 FGBDLO C[N@@H+](Cc1ccoc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578803978 506024232 /nfs/dbraw/zinc/02/42/32/506024232.db2.gz FAEGFUUBFPSQLX-UHFFFAOYSA-N 1 2 372.162 3.424 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282212158 498425824 /nfs/dbraw/zinc/42/58/24/498425824.db2.gz GRUJWNFCKHQVJH-MRXNPFEDSA-N 1 2 368.437 3.456 20 5 FGBDLO Cc1ccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000365397469 498444259 /nfs/dbraw/zinc/44/42/59/498444259.db2.gz VTVAZNWWKXLIEP-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286685536 498476099 /nfs/dbraw/zinc/47/60/99/498476099.db2.gz VRXHNNVBGSPBGX-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286685536 498476109 /nfs/dbraw/zinc/47/61/09/498476109.db2.gz VRXHNNVBGSPBGX-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000302471436 498489679 /nfs/dbraw/zinc/48/96/79/498489679.db2.gz CYCWXUUZCBMBPH-JTQLQIEISA-N 1 2 362.257 3.183 20 5 FGBDLO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000302471436 498489682 /nfs/dbraw/zinc/48/96/82/498489682.db2.gz CYCWXUUZCBMBPH-JTQLQIEISA-N 1 2 362.257 3.183 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000302801866 498581266 /nfs/dbraw/zinc/58/12/66/498581266.db2.gz ULQKDNBLDHLSDH-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000294121358 498596279 /nfs/dbraw/zinc/59/62/79/498596279.db2.gz NJUXQCCIQQIVBM-UHFFFAOYSA-N 1 2 369.343 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000294121358 498596282 /nfs/dbraw/zinc/59/62/82/498596282.db2.gz NJUXQCCIQQIVBM-UHFFFAOYSA-N 1 2 369.343 3.393 20 5 FGBDLO COCCOc1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576080054 506070832 /nfs/dbraw/zinc/07/08/32/506070832.db2.gz LPEFRHPFGDVEOX-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COCCOc1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576080054 506070836 /nfs/dbraw/zinc/07/08/36/506070836.db2.gz LPEFRHPFGDVEOX-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000287217163 498675768 /nfs/dbraw/zinc/67/57/68/498675768.db2.gz FHDNVNZUVNBJCD-AWEZNQCLSA-N 1 2 355.442 3.463 20 5 FGBDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000287217163 498675776 /nfs/dbraw/zinc/67/57/76/498675776.db2.gz FHDNVNZUVNBJCD-AWEZNQCLSA-N 1 2 355.442 3.463 20 5 FGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000284174918 499063194 /nfs/dbraw/zinc/06/31/94/499063194.db2.gz QZDQJODQAZLDBH-HNNXBMFYSA-N 1 2 367.308 3.259 20 5 FGBDLO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000366820043 499084635 /nfs/dbraw/zinc/08/46/35/499084635.db2.gz OHROMZPZLYJMGM-AWEZNQCLSA-N 1 2 369.421 3.256 20 5 FGBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079831 499145080 /nfs/dbraw/zinc/14/50/80/499145080.db2.gz IEKHQQMICSQVAZ-HIFRSBDPSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079831 499145082 /nfs/dbraw/zinc/14/50/82/499145082.db2.gz IEKHQQMICSQVAZ-HIFRSBDPSA-N 1 2 368.397 3.239 20 5 FGBDLO Nc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000368477535 499300096 /nfs/dbraw/zinc/30/00/96/499300096.db2.gz HTWRZXFCZLPTQU-GFCCVEGCSA-N 1 2 366.381 3.006 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020543 499390602 /nfs/dbraw/zinc/39/06/02/499390602.db2.gz MEBJNWGQLUICAU-CXAGYDPISA-N 1 2 370.409 3.020 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020543 499390603 /nfs/dbraw/zinc/39/06/03/499390603.db2.gz MEBJNWGQLUICAU-CXAGYDPISA-N 1 2 370.409 3.020 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000375518026 499527600 /nfs/dbraw/zinc/52/76/00/499527600.db2.gz AFTFZRISRDKSAN-UHFFFAOYSA-N 1 2 367.331 3.485 20 5 FGBDLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000377144512 499665913 /nfs/dbraw/zinc/66/59/13/499665913.db2.gz FNQRRZDDCLWLSH-AWEZNQCLSA-N 1 2 370.409 3.398 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC(F)(F)F)C1CCC1 ZINC000410545272 499667088 /nfs/dbraw/zinc/66/70/88/499667088.db2.gz KEUFKAVYMJEHGI-UHFFFAOYSA-N 1 2 368.315 3.338 20 5 FGBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000414129660 499762901 /nfs/dbraw/zinc/76/29/01/499762901.db2.gz ILSMJCZUTBOVFM-MRVPVSSYSA-N 1 2 355.803 3.342 20 5 FGBDLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000412026819 499814093 /nfs/dbraw/zinc/81/40/93/499814093.db2.gz NHJMPBUACCYKCP-CYBMUJFWSA-N 1 2 361.398 3.354 20 5 FGBDLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000412026819 499814095 /nfs/dbraw/zinc/81/40/95/499814095.db2.gz NHJMPBUACCYKCP-CYBMUJFWSA-N 1 2 361.398 3.354 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000573281374 506161229 /nfs/dbraw/zinc/16/12/29/506161229.db2.gz QBJAUKBKAGUEMZ-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413211277 499927544 /nfs/dbraw/zinc/92/75/44/499927544.db2.gz XGFABBDXRSTNAL-CYBMUJFWSA-N 1 2 355.373 3.456 20 5 FGBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000413212208 499927657 /nfs/dbraw/zinc/92/76/57/499927657.db2.gz IJGSPTNPTUWPLV-HUUCEWRRSA-N 1 2 352.316 3.264 20 5 FGBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000413212208 499927660 /nfs/dbraw/zinc/92/76/60/499927660.db2.gz IJGSPTNPTUWPLV-HUUCEWRRSA-N 1 2 352.316 3.264 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000413263485 499933929 /nfs/dbraw/zinc/93/39/29/499933929.db2.gz LISISEWQVLRNMY-BXUZGUMPSA-N 1 2 355.316 3.283 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000413269339 499934837 /nfs/dbraw/zinc/93/48/37/499934837.db2.gz NFIMCXULCVSBOR-TYILLQQXSA-N 1 2 357.410 3.306 20 5 FGBDLO Cn1ccnc1[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413313100 499940259 /nfs/dbraw/zinc/94/02/59/499940259.db2.gz GYHRGLDTSFNDCF-XJKSGUPXSA-N 1 2 353.382 3.209 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc2O1 ZINC000429164100 500016972 /nfs/dbraw/zinc/01/69/72/500016972.db2.gz OUKJGBIGNTXYKL-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc2O1 ZINC000429164100 500016975 /nfs/dbraw/zinc/01/69/75/500016975.db2.gz OUKJGBIGNTXYKL-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000429240075 500030749 /nfs/dbraw/zinc/03/07/49/500030749.db2.gz HXUGVBGSBFETNS-UHFFFAOYSA-N 1 2 372.303 3.065 20 5 FGBDLO CCn1nccc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425489159 500121008 /nfs/dbraw/zinc/12/10/08/500121008.db2.gz XLLNEXVFRTXTMO-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO CCn1nccc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425489159 500121004 /nfs/dbraw/zinc/12/10/04/500121004.db2.gz XLLNEXVFRTXTMO-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000421870458 500166882 /nfs/dbraw/zinc/16/68/82/500166882.db2.gz AOWAZASBXIKVKN-QGZVFWFLSA-N 1 2 357.385 3.137 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426378855 500267122 /nfs/dbraw/zinc/26/71/22/500267122.db2.gz NGZFDOOXWULJMK-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426378855 500267124 /nfs/dbraw/zinc/26/71/24/500267124.db2.gz NGZFDOOXWULJMK-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO COC1CCC(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000426893418 500334171 /nfs/dbraw/zinc/33/41/71/500334171.db2.gz HADGTNVYBFVDHC-UHFFFAOYSA-N 1 2 356.426 3.399 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000427378835 500387232 /nfs/dbraw/zinc/38/72/32/500387232.db2.gz YJFWGBJKIDHTLP-CYBMUJFWSA-N 1 2 372.429 3.146 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCc4c([nH+]cn4-c4ccccc4)C3)nc2c1 ZINC000447673168 500643145 /nfs/dbraw/zinc/64/31/45/500643145.db2.gz WZZNGCVJSWQXFK-UHFFFAOYSA-N 1 2 360.377 3.220 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCc2ccccc2C1 ZINC000447817970 500669503 /nfs/dbraw/zinc/66/95/03/500669503.db2.gz UOHTWAISIXOQIW-LJQANCHMSA-N 1 2 367.449 3.396 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121913 500683221 /nfs/dbraw/zinc/68/32/21/500683221.db2.gz XZTMJRSLRSIJQK-ZFWWWQNUSA-N 1 2 371.441 3.435 20 5 FGBDLO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448554366 500771127 /nfs/dbraw/zinc/77/11/27/500771127.db2.gz JTZREHFIOUQZQQ-UHFFFAOYSA-N 1 2 366.421 3.479 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000443958678 500783893 /nfs/dbraw/zinc/78/38/93/500783893.db2.gz MYHQHRFKSMAGJO-UHFFFAOYSA-N 1 2 371.319 3.292 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000448815309 500842190 /nfs/dbraw/zinc/84/21/90/500842190.db2.gz CESOSXRIIDOHFX-KWOWKCNFSA-N 1 2 366.421 3.431 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccco3)C[C@H]3CCCO3)nc2c1 ZINC000444599045 500864241 /nfs/dbraw/zinc/86/42/41/500864241.db2.gz SPRLYMJLKWDAQR-OAHLLOKOSA-N 1 2 356.382 3.245 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccco3)C[C@H]3CCCO3)nc2c1 ZINC000444599045 500864245 /nfs/dbraw/zinc/86/42/45/500864245.db2.gz SPRLYMJLKWDAQR-OAHLLOKOSA-N 1 2 356.382 3.245 20 5 FGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000444744739 500891867 /nfs/dbraw/zinc/89/18/67/500891867.db2.gz NXEIMAFDHPUHHK-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000444744739 500891870 /nfs/dbraw/zinc/89/18/70/500891870.db2.gz NXEIMAFDHPUHHK-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000439458723 500899380 /nfs/dbraw/zinc/89/93/80/500899380.db2.gz CXKJIFOYNDRPFI-UHFFFAOYSA-N 1 2 369.425 3.269 20 5 FGBDLO CC(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000439469669 500901099 /nfs/dbraw/zinc/90/10/99/500901099.db2.gz MPZJBTPKYLRYLM-UHFFFAOYSA-N 1 2 360.439 3.415 20 5 FGBDLO CC(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000439469669 500901102 /nfs/dbraw/zinc/90/11/02/500901102.db2.gz MPZJBTPKYLRYLM-UHFFFAOYSA-N 1 2 360.439 3.415 20 5 FGBDLO COc1nsc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1Br ZINC000602585720 506224639 /nfs/dbraw/zinc/22/46/39/506224639.db2.gz IONPWXNSWABDLJ-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592745193 506225760 /nfs/dbraw/zinc/22/57/60/506225760.db2.gz AIWURQBRFNHESU-UHFFFAOYSA-N 1 2 366.421 3.187 20 5 FGBDLO CC(C)c1ncc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000440474797 501012345 /nfs/dbraw/zinc/01/23/45/501012345.db2.gz RNDMUYUUSIXARV-UHFFFAOYSA-N 1 2 358.398 3.007 20 5 FGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000440474797 501012348 /nfs/dbraw/zinc/01/23/48/501012348.db2.gz RNDMUYUUSIXARV-UHFFFAOYSA-N 1 2 358.398 3.007 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824613 501037331 /nfs/dbraw/zinc/03/73/31/501037331.db2.gz NMIOBYQWBKYDMJ-WCEBEWAISA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824613 501037334 /nfs/dbraw/zinc/03/73/34/501037334.db2.gz NMIOBYQWBKYDMJ-WCEBEWAISA-N 1 2 370.409 3.464 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000436232215 501092860 /nfs/dbraw/zinc/09/28/60/501092860.db2.gz JKXRAGPXCQHNRX-UHFFFAOYSA-N 1 2 372.428 3.355 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446715532 501155810 /nfs/dbraw/zinc/15/58/10/501155810.db2.gz CUHABKFJEUBZJS-OAHLLOKOSA-N 1 2 367.449 3.393 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446715532 501155811 /nfs/dbraw/zinc/15/58/11/501155811.db2.gz CUHABKFJEUBZJS-OAHLLOKOSA-N 1 2 367.449 3.393 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739401 501159148 /nfs/dbraw/zinc/15/91/48/501159148.db2.gz UEIVBUBWZFHBIJ-HUUCEWRRSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739401 501159151 /nfs/dbraw/zinc/15/91/51/501159151.db2.gz UEIVBUBWZFHBIJ-HUUCEWRRSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739400 501159314 /nfs/dbraw/zinc/15/93/14/501159314.db2.gz UEIVBUBWZFHBIJ-GJZGRUSLSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739400 501159319 /nfs/dbraw/zinc/15/93/19/501159319.db2.gz UEIVBUBWZFHBIJ-GJZGRUSLSA-N 1 2 365.433 3.319 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000450722305 501194289 /nfs/dbraw/zinc/19/42/89/501194289.db2.gz AMMPXDNAGFHHKQ-UHFFFAOYSA-N 1 2 356.426 3.481 20 5 FGBDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159271 501196796 /nfs/dbraw/zinc/19/67/96/501196796.db2.gz SOVIYBXHTUJPLS-OAHLLOKOSA-N 1 2 370.409 3.002 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC=C(C(F)(F)F)CC1 ZINC000450258121 501220887 /nfs/dbraw/zinc/22/08/87/501220887.db2.gz OXPQDWOPYFLEKI-UHFFFAOYSA-N 1 2 366.299 3.115 20 5 FGBDLO Cc1cc(N2CCC[C@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450881874 501223484 /nfs/dbraw/zinc/22/34/84/501223484.db2.gz MPWKVSASVAZEKY-IBGZPJMESA-N 1 2 354.410 3.367 20 5 FGBDLO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436883817 501227232 /nfs/dbraw/zinc/22/72/32/501227232.db2.gz ICCCDQRDJCSQDQ-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO COC(=O)c1csc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451551226 501321149 /nfs/dbraw/zinc/32/11/49/501321149.db2.gz TXKDEUDCVVMYJP-ZDUSSCGKSA-N 1 2 361.423 3.218 20 5 FGBDLO COC(=O)c1csc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451551226 501321151 /nfs/dbraw/zinc/32/11/51/501321151.db2.gz TXKDEUDCVVMYJP-ZDUSSCGKSA-N 1 2 361.423 3.218 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000453574352 501350952 /nfs/dbraw/zinc/35/09/52/501350952.db2.gz IOGMOVFPFSTCCO-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000451966797 501410624 /nfs/dbraw/zinc/41/06/24/501410624.db2.gz GCLLRCRERSEVAP-INIZCTEOSA-N 1 2 361.348 3.309 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000451966797 501410625 /nfs/dbraw/zinc/41/06/25/501410625.db2.gz GCLLRCRERSEVAP-INIZCTEOSA-N 1 2 361.348 3.309 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456403401 501518557 /nfs/dbraw/zinc/51/85/57/501518557.db2.gz FRQGPGCTMFHKGA-GZMMTYOYSA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2n1[C@H](C)CO ZINC000456707763 501582893 /nfs/dbraw/zinc/58/28/93/501582893.db2.gz JLHBZMKUXJADAA-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459061059 501585774 /nfs/dbraw/zinc/58/57/74/501585774.db2.gz OZGLAKPULJUAEW-CYBMUJFWSA-N 1 2 357.414 3.246 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1[C@H](C)CO ZINC000456737971 501590198 /nfs/dbraw/zinc/59/01/98/501590198.db2.gz XVVBXKYHIRPCBP-LLVKDONJSA-N 1 2 368.393 3.367 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000459508692 501666491 /nfs/dbraw/zinc/66/64/91/501666491.db2.gz MFKHTEADAFNIPK-MRXNPFEDSA-N 1 2 358.829 3.453 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)o1 ZINC000485687167 501901539 /nfs/dbraw/zinc/90/15/39/501901539.db2.gz MAWZCDJMBZYLFL-QGZVFWFLSA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)o1 ZINC000485687167 501901545 /nfs/dbraw/zinc/90/15/45/501901545.db2.gz MAWZCDJMBZYLFL-QGZVFWFLSA-N 1 2 372.421 3.482 20 5 FGBDLO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000478304571 501936540 /nfs/dbraw/zinc/93/65/40/501936540.db2.gz KACJWBGNAFSFNN-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO CC(C)Cc1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000471430967 502026286 /nfs/dbraw/zinc/02/62/86/502026286.db2.gz JXNXXZZXFDYQCP-UHFFFAOYSA-N 1 2 366.381 3.021 20 5 FGBDLO CCC1(CC)C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464577696 502033349 /nfs/dbraw/zinc/03/33/49/502033349.db2.gz VQDBMOVLQPCHIS-UHFFFAOYSA-N 1 2 367.471 3.150 20 5 FGBDLO CCC1(CC)C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000464577696 502033356 /nfs/dbraw/zinc/03/33/56/502033356.db2.gz VQDBMOVLQPCHIS-UHFFFAOYSA-N 1 2 367.471 3.150 20 5 FGBDLO CSc1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000486209718 502084280 /nfs/dbraw/zinc/08/42/80/502084280.db2.gz JONMBDQDMSCQND-UHFFFAOYSA-N 1 2 374.344 3.006 20 5 FGBDLO COC(=O)c1cc(NCc2cn3cccc(C)c3[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000486230193 502090703 /nfs/dbraw/zinc/09/07/03/502090703.db2.gz MJOBNTGJSQUENZ-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CCc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000471682123 502107398 /nfs/dbraw/zinc/10/73/98/502107398.db2.gz FCAORTNVDPHYCA-UHFFFAOYSA-N 1 2 358.785 3.388 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000599063615 506304091 /nfs/dbraw/zinc/30/40/91/506304091.db2.gz FDPDYFNOMHRBLX-AWEZNQCLSA-N 1 2 364.409 3.453 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472354172 502326070 /nfs/dbraw/zinc/32/60/70/502326070.db2.gz UWPBTYOVCAILEA-JKSUJKDBSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472354172 502326074 /nfs/dbraw/zinc/32/60/74/502326074.db2.gz UWPBTYOVCAILEA-JKSUJKDBSA-N 1 2 353.850 3.470 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469442778 502419883 /nfs/dbraw/zinc/41/98/83/502419883.db2.gz NJCYWNTWHDCQJC-HNNXBMFYSA-N 1 2 369.402 3.498 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)C2 ZINC000476278825 502441139 /nfs/dbraw/zinc/44/11/39/502441139.db2.gz RUUZLLSQSUAXRG-AWEZNQCLSA-N 1 2 368.437 3.131 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC000476278825 502441143 /nfs/dbraw/zinc/44/11/43/502441143.db2.gz RUUZLLSQSUAXRG-AWEZNQCLSA-N 1 2 368.437 3.131 20 5 FGBDLO Cn1nccc1[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599083990 506316495 /nfs/dbraw/zinc/31/64/95/506316495.db2.gz NXHUIMOJZZFRCN-SUMWQHHRSA-N 1 2 353.382 3.209 20 5 FGBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000480250546 502513119 /nfs/dbraw/zinc/51/31/19/502513119.db2.gz ROWOUEYWBAAMFX-KBPBESRZSA-N 1 2 367.812 3.006 20 5 FGBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000480250546 502513123 /nfs/dbraw/zinc/51/31/23/502513123.db2.gz ROWOUEYWBAAMFX-KBPBESRZSA-N 1 2 367.812 3.006 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000488090659 502624933 /nfs/dbraw/zinc/62/49/33/502624933.db2.gz PASQHUZODBGVCY-INIZCTEOSA-N 1 2 365.437 3.121 20 5 FGBDLO O=C1[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000599111741 506326414 /nfs/dbraw/zinc/32/64/14/506326414.db2.gz RIGLWGZVDACNQW-QGZVFWFLSA-N 1 2 354.410 3.489 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000466824279 502695484 /nfs/dbraw/zinc/69/54/84/502695484.db2.gz IQXNWBRMUWVKHO-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO Cc1ccc2c(c1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000480979223 502718489 /nfs/dbraw/zinc/71/84/89/502718489.db2.gz KSWBGDHOFUGPSF-UHFFFAOYSA-N 1 2 362.389 3.287 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466935217 502733433 /nfs/dbraw/zinc/73/34/33/502733433.db2.gz SUNQZFWJXXIEJU-KRWDZBQOSA-N 1 2 374.462 3.205 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466935217 502733439 /nfs/dbraw/zinc/73/34/39/502733439.db2.gz SUNQZFWJXXIEJU-KRWDZBQOSA-N 1 2 374.462 3.205 20 5 FGBDLO Cc1c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000488671479 502778285 /nfs/dbraw/zinc/77/82/85/502778285.db2.gz PAKYCBSHZXGCLE-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1c(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000488671479 502778287 /nfs/dbraw/zinc/77/82/87/502778287.db2.gz PAKYCBSHZXGCLE-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1cc(N(C)Cc2nncn2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488927843 502840291 /nfs/dbraw/zinc/84/02/91/502840291.db2.gz YSIPNSVHYXKKMF-UHFFFAOYSA-N 1 2 367.413 3.169 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000513162260 502867614 /nfs/dbraw/zinc/86/76/14/502867614.db2.gz XCKHVCDLEAIMBL-SFHVURJKSA-N 1 2 364.348 3.441 20 5 FGBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513266740 502892441 /nfs/dbraw/zinc/89/24/41/502892441.db2.gz LYRPLHSIADHFFC-QMMMGPOBSA-N 1 2 370.743 3.211 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c1 ZINC000593021011 506341619 /nfs/dbraw/zinc/34/16/19/506341619.db2.gz JQGZXTVPVKZAAH-HNNXBMFYSA-N 1 2 361.423 3.387 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000489753922 503026439 /nfs/dbraw/zinc/02/64/39/503026439.db2.gz IFLOGBRWPQKZRN-AWEZNQCLSA-N 1 2 371.441 3.212 20 5 FGBDLO CCOC(=O)CCN(C)c1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490113724 503110682 /nfs/dbraw/zinc/11/06/82/503110682.db2.gz LXUADAFFENWRNX-UHFFFAOYSA-N 1 2 358.398 3.004 20 5 FGBDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000510516252 503130640 /nfs/dbraw/zinc/13/06/40/503130640.db2.gz BVTHSRVPSFVEOQ-UHFFFAOYSA-N 1 2 356.426 3.019 20 5 FGBDLO Cc1ccc(Sc2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000514630302 503152621 /nfs/dbraw/zinc/15/26/21/503152621.db2.gz GRSVHFHOMBOODT-UHFFFAOYSA-N 1 2 371.462 3.442 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490343560 503158154 /nfs/dbraw/zinc/15/81/54/503158154.db2.gz XYCQUINLVGVGMR-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490343560 503158159 /nfs/dbraw/zinc/15/81/59/503158159.db2.gz XYCQUINLVGVGMR-NSHDSACASA-N 1 2 374.384 3.247 20 5 FGBDLO Cc1cc(OCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000514772904 503189250 /nfs/dbraw/zinc/18/92/50/503189250.db2.gz RUFJVMSWAYHLDE-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000507242161 503257908 /nfs/dbraw/zinc/25/79/08/503257908.db2.gz DMMHURFIUZFYJX-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000491092763 503272418 /nfs/dbraw/zinc/27/24/18/503272418.db2.gz UFSXROYOVVGCSA-QGZVFWFLSA-N 1 2 358.369 3.396 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000491092763 503272420 /nfs/dbraw/zinc/27/24/20/503272420.db2.gz UFSXROYOVVGCSA-QGZVFWFLSA-N 1 2 358.369 3.396 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943529 503300367 /nfs/dbraw/zinc/30/03/67/503300367.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 1 2 371.441 3.369 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943529 503300371 /nfs/dbraw/zinc/30/03/71/503300371.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 1 2 371.441 3.369 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943532 503300734 /nfs/dbraw/zinc/30/07/34/503300734.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 1 2 371.441 3.369 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943532 503300738 /nfs/dbraw/zinc/30/07/38/503300738.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 1 2 371.441 3.369 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055821 506364321 /nfs/dbraw/zinc/36/43/21/506364321.db2.gz RHVWMZPQWDLEGN-OCCSQVGLSA-N 1 2 369.849 3.465 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055821 506364329 /nfs/dbraw/zinc/36/43/29/506364329.db2.gz RHVWMZPQWDLEGN-OCCSQVGLSA-N 1 2 369.849 3.465 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503217016 503369492 /nfs/dbraw/zinc/36/94/92/503369492.db2.gz NRKBHSAYBMAGAK-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503217016 503369496 /nfs/dbraw/zinc/36/94/96/503369496.db2.gz NRKBHSAYBMAGAK-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO CCOc1cc(C[N@@H+]2CC[S@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000492871963 503389452 /nfs/dbraw/zinc/38/94/52/503389452.db2.gz KCIXUZSGESZTOB-DEOSSOPVSA-N 1 2 354.472 3.117 20 5 FGBDLO CCOc1cc(C[N@H+]2CC[S@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000492871963 503389455 /nfs/dbraw/zinc/38/94/55/503389455.db2.gz KCIXUZSGESZTOB-DEOSSOPVSA-N 1 2 354.472 3.117 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000511876759 503406663 /nfs/dbraw/zinc/40/66/63/503406663.db2.gz COXIOZIJUMYNER-UHFFFAOYSA-N 1 2 369.299 3.168 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457039 503410149 /nfs/dbraw/zinc/41/01/49/503410149.db2.gz MKHCXIWEFFOVQG-ZIAGYGMSSA-N 1 2 359.451 3.391 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457039 503410151 /nfs/dbraw/zinc/41/01/51/503410151.db2.gz MKHCXIWEFFOVQG-ZIAGYGMSSA-N 1 2 359.451 3.391 20 5 FGBDLO Cc1ncc(C[NH+]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)s1 ZINC000493503173 503430334 /nfs/dbraw/zinc/43/03/34/503430334.db2.gz MTIPLQWXRCSEPT-UHFFFAOYSA-N 1 2 366.874 3.331 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000508779509 503563520 /nfs/dbraw/zinc/56/35/20/503563520.db2.gz QKAGKKZFOLFQAG-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)cn1 ZINC000536638016 503653874 /nfs/dbraw/zinc/65/38/74/503653874.db2.gz JYMPUKWNAKKJDA-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000517915069 503865882 /nfs/dbraw/zinc/86/58/82/503865882.db2.gz SMZOBHUBGWALRA-HNNXBMFYSA-N 1 2 368.437 3.400 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533512806 503872373 /nfs/dbraw/zinc/87/23/73/503872373.db2.gz GHSRIFYJDQPVIS-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533512806 503872378 /nfs/dbraw/zinc/87/23/78/503872378.db2.gz GHSRIFYJDQPVIS-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1ccc([C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000543792616 503894743 /nfs/dbraw/zinc/89/47/43/503894743.db2.gz LJGHVGZLGOLJIL-SFHVURJKSA-N 1 2 370.453 3.400 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000543791341 503894781 /nfs/dbraw/zinc/89/47/81/503894781.db2.gz LBXPKYYZJXNKRK-UHFFFAOYSA-N 1 2 351.410 3.488 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543980357 503959235 /nfs/dbraw/zinc/95/92/35/503959235.db2.gz AURMLWWHDMRQMZ-INIZCTEOSA-N 1 2 371.828 3.450 20 5 FGBDLO Cc1ccc(Cc2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c[nH+]1 ZINC000547058922 503970046 /nfs/dbraw/zinc/97/00/46/503970046.db2.gz JLHQILJZZVSXFL-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537616556 503977273 /nfs/dbraw/zinc/97/72/73/503977273.db2.gz FPXFUULPWVUPKA-BMRADRMJSA-N 1 2 365.433 3.456 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2[nH+]1 ZINC000533947996 503998794 /nfs/dbraw/zinc/99/87/94/503998794.db2.gz LCVCIJDTZGXKLW-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO CCc1cc(NC[C@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537822961 504054671 /nfs/dbraw/zinc/05/46/71/504054671.db2.gz MXTBBVWXGVTZSS-KGLIPLIRSA-N 1 2 356.426 3.263 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000544622177 504195714 /nfs/dbraw/zinc/19/57/14/504195714.db2.gz UQCMGXCEITVHRW-UHFFFAOYSA-N 1 2 373.319 3.380 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000542012153 504334817 /nfs/dbraw/zinc/33/48/17/504334817.db2.gz NPTFDTAEGDIYGX-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000542012153 504334818 /nfs/dbraw/zinc/33/48/18/504334818.db2.gz NPTFDTAEGDIYGX-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520043693 504401873 /nfs/dbraw/zinc/40/18/73/504401873.db2.gz BYADRIDCPMNFLQ-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC12CCC2 ZINC000538932958 504420828 /nfs/dbraw/zinc/42/08/28/504420828.db2.gz SXNSAZHAWYTNCQ-AWEZNQCLSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397777 504636280 /nfs/dbraw/zinc/63/62/80/504636280.db2.gz PRVRXRJJLUTGIB-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532573649 504696118 /nfs/dbraw/zinc/69/61/18/504696118.db2.gz IQYWNSRFSOCUPA-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532573649 504696121 /nfs/dbraw/zinc/69/61/21/504696121.db2.gz IQYWNSRFSOCUPA-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)s1 ZINC000549147208 504703535 /nfs/dbraw/zinc/70/35/35/504703535.db2.gz GRVUFBMZIMFHQV-UHFFFAOYSA-N 1 2 353.469 3.165 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)s1 ZINC000549147208 504703540 /nfs/dbraw/zinc/70/35/40/504703540.db2.gz GRVUFBMZIMFHQV-UHFFFAOYSA-N 1 2 353.469 3.165 20 5 FGBDLO C[C@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000549374395 504804364 /nfs/dbraw/zinc/80/43/64/504804364.db2.gz YXJFVAWBCPSSIF-JTQLQIEISA-N 1 2 371.372 3.418 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000559275500 504817444 /nfs/dbraw/zinc/81/74/44/504817444.db2.gz HDCATCKFOJZZOS-UHFFFAOYSA-N 1 2 368.368 3.428 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000559308566 504826978 /nfs/dbraw/zinc/82/69/78/504826978.db2.gz YTRICPRRULKUOR-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000559308566 504826980 /nfs/dbraw/zinc/82/69/80/504826980.db2.gz YTRICPRRULKUOR-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO C[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000559390286 504852629 /nfs/dbraw/zinc/85/26/29/504852629.db2.gz LGLORMSEACXDQK-ZDUSSCGKSA-N 1 2 350.378 3.405 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000562849061 504964420 /nfs/dbraw/zinc/96/44/20/504964420.db2.gz KHWUTXZFFZMRGN-PBHICJAKSA-N 1 2 356.426 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC[C@H]3CC3CCC3)n2)cc1 ZINC000550158145 504980535 /nfs/dbraw/zinc/98/05/35/504980535.db2.gz MONCKHPUIKWUIC-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC[C@H]3CC3CCC3)n2)cc1 ZINC000550158145 504980538 /nfs/dbraw/zinc/98/05/38/504980538.db2.gz MONCKHPUIKWUIC-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO Cc1c(CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000556859987 504997967 /nfs/dbraw/zinc/99/79/67/504997967.db2.gz GQBLCBRSRJOXJQ-QAQDUYKDSA-N 1 2 368.437 3.380 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC=C(c4ccccn4)C3)n2)c1 ZINC000565827056 504999521 /nfs/dbraw/zinc/99/95/21/504999521.db2.gz KZYDWUAUNHYOGL-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC=C(c4ccccn4)C3)n2)c1 ZINC000565827056 504999523 /nfs/dbraw/zinc/99/95/23/504999523.db2.gz KZYDWUAUNHYOGL-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000566685761 505243797 /nfs/dbraw/zinc/24/37/97/505243797.db2.gz FGMMBEZBSXCKQX-WKILWMFISA-N 1 2 354.410 3.451 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2ccccc2)no1 ZINC000554849361 505279812 /nfs/dbraw/zinc/27/98/12/505279812.db2.gz YBNILVRWORAYMG-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2ccccc2)no1 ZINC000554849361 505279814 /nfs/dbraw/zinc/27/98/14/505279814.db2.gz YBNILVRWORAYMG-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO COc1ccc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000563971729 505292212 /nfs/dbraw/zinc/29/22/12/505292212.db2.gz IZTTXNQLAGJFEL-SNVBAGLBSA-N 1 2 372.303 3.012 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCCc2[nH]c3ccc(F)cc3[nH+]2)s1 ZINC000561263503 505297968 /nfs/dbraw/zinc/29/79/68/505297968.db2.gz VDTBDVAPIRSBEL-UHFFFAOYSA-N 1 2 358.358 3.270 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2n1C1CC1 ZINC000555172978 505370280 /nfs/dbraw/zinc/37/02/80/505370280.db2.gz BUVULKBOUIGRMG-UHFFFAOYSA-N 1 2 353.382 3.100 20 5 FGBDLO Cc1nc(C)c(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552045832 505381154 /nfs/dbraw/zinc/38/11/54/505381154.db2.gz QLKHXYRSNNTMML-MRXNPFEDSA-N 1 2 357.439 3.281 20 5 FGBDLO CCc1nc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000552048978 505381780 /nfs/dbraw/zinc/38/17/80/505381780.db2.gz GGIUHFZPIVHKKO-INIZCTEOSA-N 1 2 357.439 3.226 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552337000 505465018 /nfs/dbraw/zinc/46/50/18/505465018.db2.gz MHPQIRXEAXZWAV-CYBMUJFWSA-N 1 2 354.332 3.350 20 5 FGBDLO O=C1NCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000552357516 505470743 /nfs/dbraw/zinc/47/07/43/505470743.db2.gz CVDZXMCLWUYXCM-QLQLNADESA-N 1 2 365.433 3.041 20 5 FGBDLO O=C1NCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000552357516 505470747 /nfs/dbraw/zinc/47/07/47/505470747.db2.gz CVDZXMCLWUYXCM-QLQLNADESA-N 1 2 365.433 3.041 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(Cc2ccccc2)n1 ZINC000558732945 505477386 /nfs/dbraw/zinc/47/73/86/505477386.db2.gz XWFGOUKVEBLQEF-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(Cc2ccccc2)n1 ZINC000558732945 505477387 /nfs/dbraw/zinc/47/73/87/505477387.db2.gz XWFGOUKVEBLQEF-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO Cc1cc(N2CCC[C@@H](C)[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596440596 506406016 /nfs/dbraw/zinc/40/60/16/506406016.db2.gz DOBDVNCVCGQGPN-CXAGYDPISA-N 1 2 356.426 3.348 20 5 FGBDLO CS(=O)(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000596475212 506425526 /nfs/dbraw/zinc/42/55/26/506425526.db2.gz WKNAIJYGZQQOCF-UHFFFAOYSA-N 1 2 363.439 3.302 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000596593045 506478376 /nfs/dbraw/zinc/47/83/76/506478376.db2.gz PYDLIZMVWYSJSI-GOSISDBHSA-N 1 2 354.410 3.036 20 5 FGBDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000596593045 506478379 /nfs/dbraw/zinc/47/83/79/506478379.db2.gz PYDLIZMVWYSJSI-GOSISDBHSA-N 1 2 354.410 3.036 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649588 506509650 /nfs/dbraw/zinc/50/96/50/506509650.db2.gz CQVDKZFKAXZYSI-RBUKOAKNSA-N 1 2 363.421 3.277 20 5 FGBDLO NC(=O)c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000599699873 506588934 /nfs/dbraw/zinc/58/89/34/506588934.db2.gz NDXOZQPIDPGHCP-UHFFFAOYSA-N 1 2 361.348 3.141 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000612586873 506639041 /nfs/dbraw/zinc/63/90/41/506639041.db2.gz WESUKKLDEUQKNF-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000612586873 506639047 /nfs/dbraw/zinc/63/90/47/506639047.db2.gz WESUKKLDEUQKNF-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435438 506832480 /nfs/dbraw/zinc/83/24/80/506832480.db2.gz XDNBRUAIXKLANH-TZMCWYRMSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435438 506832488 /nfs/dbraw/zinc/83/24/88/506832488.db2.gz XDNBRUAIXKLANH-TZMCWYRMSA-N 1 2 366.364 3.306 20 5 FGBDLO COc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])cc1C ZINC000590571368 506864903 /nfs/dbraw/zinc/86/49/03/506864903.db2.gz BKAQQLUOEDDYNI-CQSZACIVSA-N 1 2 372.425 3.144 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000594020374 506886684 /nfs/dbraw/zinc/88/66/84/506886684.db2.gz GHHUOHYASYRAES-UHFFFAOYSA-N 1 2 372.425 3.135 20 5 FGBDLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000594052870 506909326 /nfs/dbraw/zinc/90/93/26/506909326.db2.gz YLXXQVIIBFBFLN-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000594052870 506909333 /nfs/dbraw/zinc/90/93/33/506909333.db2.gz YLXXQVIIBFBFLN-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590688599 506909976 /nfs/dbraw/zinc/90/99/76/506909976.db2.gz TXOODWCYVSBQQC-CYBMUJFWSA-N 1 2 353.382 3.190 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057481 506911840 /nfs/dbraw/zinc/91/18/40/506911840.db2.gz FUNRNTJFKNZNKF-HUUCEWRRSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057481 506911848 /nfs/dbraw/zinc/91/18/48/506911848.db2.gz FUNRNTJFKNZNKF-HUUCEWRRSA-N 1 2 361.442 3.345 20 5 FGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609536575 506912580 /nfs/dbraw/zinc/91/25/80/506912580.db2.gz UNFQSGBDYKKHAO-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609536575 506912581 /nfs/dbraw/zinc/91/25/81/506912581.db2.gz UNFQSGBDYKKHAO-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC(F)(F)CC1 ZINC000590722202 506923035 /nfs/dbraw/zinc/92/30/35/506923035.db2.gz KMANSOBGIAJNNA-UHFFFAOYSA-N 1 2 364.352 3.478 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594511495 507162981 /nfs/dbraw/zinc/16/29/81/507162981.db2.gz OBBQOOSBYNQCMM-YSVLISHTSA-N 1 2 371.441 3.065 20 5 FGBDLO CCOC(=O)Cc1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594597578 507202900 /nfs/dbraw/zinc/20/29/00/507202900.db2.gz XIBJOUGZLDLUQZ-UHFFFAOYSA-N 1 2 357.410 3.367 20 5 FGBDLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601024648 507232644 /nfs/dbraw/zinc/23/26/44/507232644.db2.gz WNDZKYLNKKTXIS-UHFFFAOYSA-N 1 2 354.410 3.146 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610504842 507269124 /nfs/dbraw/zinc/26/91/24/507269124.db2.gz ARFQPYDXJYHHNI-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610504842 507269136 /nfs/dbraw/zinc/26/91/36/507269136.db2.gz ARFQPYDXJYHHNI-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ccsc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149573 507277373 /nfs/dbraw/zinc/27/73/73/507277373.db2.gz OHCGJWXFMZRGLW-AWEZNQCLSA-N 1 2 371.256 3.416 20 5 FGBDLO Cn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc21 ZINC000601150095 507279773 /nfs/dbraw/zinc/27/97/73/507279773.db2.gz UQUQEUNTTDGAFS-SFHVURJKSA-N 1 2 374.828 3.132 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000595033650 507361685 /nfs/dbraw/zinc/36/16/85/507361685.db2.gz HEDODKCUMJPOOC-JTQLQIEISA-N 1 2 358.320 3.213 20 5 FGBDLO COCc1csc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595077890 507381206 /nfs/dbraw/zinc/38/12/06/507381206.db2.gz RAKAIJWCCFVWAD-KRWDZBQOSA-N 1 2 372.450 3.415 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000601557358 507387432 /nfs/dbraw/zinc/38/74/32/507387432.db2.gz DKUWFZMZFSADKR-UHFFFAOYSA-N 1 2 368.368 3.428 20 5 FGBDLO COc1cccc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000595295304 507450511 /nfs/dbraw/zinc/45/05/11/507450511.db2.gz XRDHBNHBTPKEJQ-MRXNPFEDSA-N 1 2 361.398 3.081 20 5 FGBDLO COc1cccc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000595295304 507450517 /nfs/dbraw/zinc/45/05/17/507450517.db2.gz XRDHBNHBTPKEJQ-MRXNPFEDSA-N 1 2 361.398 3.081 20 5 FGBDLO Cc1noc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595296248 507453066 /nfs/dbraw/zinc/45/30/66/507453066.db2.gz YKZMLCKSRDRFPK-OCAPTIKFSA-N 1 2 361.242 3.454 20 5 FGBDLO Cc1noc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595296248 507453073 /nfs/dbraw/zinc/45/30/73/507453073.db2.gz YKZMLCKSRDRFPK-OCAPTIKFSA-N 1 2 361.242 3.454 20 5 FGBDLO Cc1noc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422797 507489604 /nfs/dbraw/zinc/48/96/04/507489604.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 1 2 374.445 3.437 20 5 FGBDLO Cc1noc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595440972 507499529 /nfs/dbraw/zinc/49/95/29/507499529.db2.gz HXEDRAXBOHYSJJ-RDBSUJKOSA-N 1 2 365.430 3.366 20 5 FGBDLO Cc1noc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595440972 507499535 /nfs/dbraw/zinc/49/95/35/507499535.db2.gz HXEDRAXBOHYSJJ-RDBSUJKOSA-N 1 2 365.430 3.366 20 5 FGBDLO COc1ccccc1C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000592142807 507505118 /nfs/dbraw/zinc/50/51/18/507505118.db2.gz GNRMRKKAXNGIBV-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176671 507525022 /nfs/dbraw/zinc/52/50/22/507525022.db2.gz BNOXCXSIWYJXLI-IBGZPJMESA-N 1 2 354.406 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177101 507548166 /nfs/dbraw/zinc/54/81/66/507548166.db2.gz QDCCXMXHNGOPLB-DTWKUNHWSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000611177101 507548172 /nfs/dbraw/zinc/54/81/72/507548172.db2.gz QDCCXMXHNGOPLB-DTWKUNHWSA-N 1 2 365.739 3.459 20 5 FGBDLO COc1cc(C[N@@H+]2CCOCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000611194910 507556697 /nfs/dbraw/zinc/55/66/97/507556697.db2.gz TWZQRWDUGMTQOL-UHFFFAOYSA-N 1 2 372.368 3.350 20 5 FGBDLO COc1cc(C[N@H+]2CCOCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000611194910 507556699 /nfs/dbraw/zinc/55/66/99/507556699.db2.gz TWZQRWDUGMTQOL-UHFFFAOYSA-N 1 2 372.368 3.350 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611205427 507561607 /nfs/dbraw/zinc/56/16/07/507561607.db2.gz IMHUZQDSMNABOY-UHFFFAOYSA-N 1 2 360.439 3.325 20 5 FGBDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611253578 507581782 /nfs/dbraw/zinc/58/17/82/507581782.db2.gz UNKSPMWOXZKXRR-UHFFFAOYSA-N 1 2 356.378 3.101 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)c(F)c1 ZINC000611402883 507663327 /nfs/dbraw/zinc/66/33/27/507663327.db2.gz RSEGJXTZHDMFKO-HNNXBMFYSA-N 1 2 363.320 3.492 20 5 FGBDLO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000611410124 507669635 /nfs/dbraw/zinc/66/96/35/507669635.db2.gz KXMASZGQNSWHGU-NHYWBVRUSA-N 1 2 364.398 3.303 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000595758192 507670191 /nfs/dbraw/zinc/67/01/91/507670191.db2.gz DDGDBTCNDIJEFO-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000595758192 507670200 /nfs/dbraw/zinc/67/02/00/507670200.db2.gz DDGDBTCNDIJEFO-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586792316 507673746 /nfs/dbraw/zinc/67/37/46/507673746.db2.gz IUIVDPSVXXSHHE-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586792316 507673748 /nfs/dbraw/zinc/67/37/48/507673748.db2.gz IUIVDPSVXXSHHE-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586792317 507674021 /nfs/dbraw/zinc/67/40/21/507674021.db2.gz IUIVDPSVXXSHHE-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586792317 507674027 /nfs/dbraw/zinc/67/40/27/507674027.db2.gz IUIVDPSVXXSHHE-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587057422 507704916 /nfs/dbraw/zinc/70/49/16/507704916.db2.gz WCMJZUGVSXCRNO-CYBMUJFWSA-N 1 2 374.466 3.428 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2c2ccc(Br)cc2)n1 ZINC000595845476 507710017 /nfs/dbraw/zinc/71/00/17/507710017.db2.gz NXCKKFWEIPGYAN-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]2c2ccc(Br)cc2)n1 ZINC000595845476 507710019 /nfs/dbraw/zinc/71/00/19/507710019.db2.gz NXCKKFWEIPGYAN-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000611516520 507715306 /nfs/dbraw/zinc/71/53/06/507715306.db2.gz OCXDFYYMANTRBG-UHFFFAOYSA-N 1 2 370.405 3.404 20 5 FGBDLO O=[N+]([O-])c1sc(CN2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000602458940 507715562 /nfs/dbraw/zinc/71/55/62/507715562.db2.gz RBZGCHFJMRTRHC-SNVBAGLBSA-N 1 2 371.260 3.452 20 5 FGBDLO CC(C)c1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000611560638 507739767 /nfs/dbraw/zinc/73/97/67/507739767.db2.gz HYGZDPPXVIJMGG-QGZVFWFLSA-N 1 2 355.398 3.319 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)c2c1 ZINC000131082863 700809937 /nfs/dbraw/zinc/80/99/37/700809937.db2.gz RUVNNMXJRKLDRI-SMDDNHRTSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)c2c1 ZINC000131082863 700809941 /nfs/dbraw/zinc/80/99/41/700809941.db2.gz RUVNNMXJRKLDRI-SMDDNHRTSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000133653203 700840162 /nfs/dbraw/zinc/84/01/62/700840162.db2.gz IQQZZZOAOMIWPT-ZDUSSCGKSA-N 1 2 350.806 3.193 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000133653203 700840165 /nfs/dbraw/zinc/84/01/65/700840165.db2.gz IQQZZZOAOMIWPT-ZDUSSCGKSA-N 1 2 350.806 3.193 20 5 FGBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000616785262 714598639 /nfs/dbraw/zinc/59/86/39/714598639.db2.gz IMPPYJWXNCTZQY-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000616785262 714598642 /nfs/dbraw/zinc/59/86/42/714598642.db2.gz IMPPYJWXNCTZQY-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000732567577 722486137 /nfs/dbraw/zinc/48/61/37/722486137.db2.gz DJJDGDXPCJVIKN-UHFFFAOYSA-N 1 2 370.475 3.011 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000732667387 722487079 /nfs/dbraw/zinc/48/70/79/722487079.db2.gz QKERQHQCISRROC-GOSISDBHSA-N 1 2 361.829 3.104 20 5 FGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735468067 722516528 /nfs/dbraw/zinc/51/65/28/722516528.db2.gz BSNJPGLEOIRFTP-HNNXBMFYSA-N 1 2 364.833 3.218 20 5 FGBDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862734 722572073 /nfs/dbraw/zinc/57/20/73/722572073.db2.gz JRUFNTQLGCMONV-AWEZNQCLSA-N 1 2 350.415 3.170 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000746663662 722612802 /nfs/dbraw/zinc/61/28/02/722612802.db2.gz UGHZHZOMXKIHPH-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000746663662 722612805 /nfs/dbraw/zinc/61/28/05/722612805.db2.gz UGHZHZOMXKIHPH-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@H+](CCC(F)(F)F)CC2CC2)cc1Br ZINC000753109704 722885741 /nfs/dbraw/zinc/88/57/41/722885741.db2.gz SEJXCLDIXOGJRB-UHFFFAOYSA-N 1 2 371.157 3.176 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1Br ZINC000753109704 722885742 /nfs/dbraw/zinc/88/57/42/722885742.db2.gz SEJXCLDIXOGJRB-UHFFFAOYSA-N 1 2 371.157 3.176 20 5 FGBDLO Nc1cc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000791792194 723281615 /nfs/dbraw/zinc/28/16/15/723281615.db2.gz CKJKIOBVRVURQR-UHFFFAOYSA-N 1 2 356.363 3.053 20 5 FGBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000792312897 723328128 /nfs/dbraw/zinc/32/81/28/723328128.db2.gz GOXZPQXJBZAYGF-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000792312897 723328132 /nfs/dbraw/zinc/32/81/32/723328132.db2.gz GOXZPQXJBZAYGF-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664916 723539460 /nfs/dbraw/zinc/53/94/60/723539460.db2.gz LQRNEMXRVXCBRN-PWSUYJOCSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664916 723539462 /nfs/dbraw/zinc/53/94/62/723539462.db2.gz LQRNEMXRVXCBRN-PWSUYJOCSA-N 1 2 355.320 3.084 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811802371 725380651 /nfs/dbraw/zinc/38/06/51/725380651.db2.gz XJCGBAQNAGRDBG-AWEZNQCLSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811802371 725380652 /nfs/dbraw/zinc/38/06/52/725380652.db2.gz XJCGBAQNAGRDBG-AWEZNQCLSA-N 1 2 360.805 3.007 20 5 FGBDLO CCS[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)C ZINC000813171833 726846254 /nfs/dbraw/zinc/84/62/54/726846254.db2.gz BPKFRNZORVCVOM-IRXDYDNUSA-N 1 2 366.483 3.490 20 5 FGBDLO CCS[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)C ZINC000813171833 726846257 /nfs/dbraw/zinc/84/62/57/726846257.db2.gz BPKFRNZORVCVOM-IRXDYDNUSA-N 1 2 366.483 3.490 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000816898269 727203421 /nfs/dbraw/zinc/20/34/21/727203421.db2.gz WUCYVZVDGQXEGE-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000816898269 727203424 /nfs/dbraw/zinc/20/34/24/727203424.db2.gz WUCYVZVDGQXEGE-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000817363283 727243395 /nfs/dbraw/zinc/24/33/95/727243395.db2.gz ZWLUFZQNUBGHPQ-CYBMUJFWSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000817363283 727243396 /nfs/dbraw/zinc/24/33/96/727243396.db2.gz ZWLUFZQNUBGHPQ-CYBMUJFWSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC000817361849 727243555 /nfs/dbraw/zinc/24/35/55/727243555.db2.gz JEPXESMRTJOURL-CYBMUJFWSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC000817361849 727243557 /nfs/dbraw/zinc/24/35/57/727243557.db2.gz JEPXESMRTJOURL-CYBMUJFWSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000820616739 729010900 /nfs/dbraw/zinc/01/09/00/729010900.db2.gz OEOWAXDIHKZAQF-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690600 729355320 /nfs/dbraw/zinc/35/53/20/729355320.db2.gz IEQMABVCTBPEIK-INIZCTEOSA-N 1 2 365.773 3.322 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690600 729355323 /nfs/dbraw/zinc/35/53/23/729355323.db2.gz IEQMABVCTBPEIK-INIZCTEOSA-N 1 2 365.773 3.322 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342223 729428959 /nfs/dbraw/zinc/42/89/59/729428959.db2.gz FYVPXBHDFMGCEN-HOCLYGCPSA-N 1 2 371.840 3.176 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342223 729428960 /nfs/dbraw/zinc/42/89/60/729428960.db2.gz FYVPXBHDFMGCEN-HOCLYGCPSA-N 1 2 371.840 3.176 20 5 FGBDLO O=C(O[C@@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835215476 729868467 /nfs/dbraw/zinc/86/84/67/729868467.db2.gz KGUAXFRQLATDEJ-ZDUSSCGKSA-N 1 2 355.272 3.278 20 5 FGBDLO O=C(C[NH+]1CCC(OC2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842161969 730303199 /nfs/dbraw/zinc/30/31/99/730303199.db2.gz SIHKNOWOLODFEV-UHFFFAOYSA-N 1 2 367.833 3.220 20 5 FGBDLO Cc1ccc(C[N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848477654 731169060 /nfs/dbraw/zinc/16/90/60/731169060.db2.gz ZKITTXYZFLBBSY-QGZVFWFLSA-N 1 2 359.451 3.370 20 5 FGBDLO Cc1ccc(C[N@@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848477654 731169063 /nfs/dbraw/zinc/16/90/63/731169063.db2.gz ZKITTXYZFLBBSY-QGZVFWFLSA-N 1 2 359.451 3.370 20 5 FGBDLO CCc1csc(CC2CC[NH+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)n1 ZINC000848495482 731171340 /nfs/dbraw/zinc/17/13/40/731171340.db2.gz IATSDDMEGQVWSM-UHFFFAOYSA-N 1 2 363.487 3.339 20 5 FGBDLO Cc1c(Cl)cc(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000857901628 732167960 /nfs/dbraw/zinc/16/79/60/732167960.db2.gz MDTYFWXMKXVCEW-VIFPVBQESA-N 1 2 367.814 3.092 20 5 FGBDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000877774416 736717723 /nfs/dbraw/zinc/71/77/23/736717723.db2.gz KDNRYAPKRQYKSM-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000877774416 736717731 /nfs/dbraw/zinc/71/77/31/736717731.db2.gz KDNRYAPKRQYKSM-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1cc(CSCCO)cc[nH+]1 ZINC000893266155 742132484 /nfs/dbraw/zinc/13/24/84/742132484.db2.gz OFCVBDBNAOIJGZ-UHFFFAOYSA-N 1 2 353.831 3.481 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927106603 759893010 /nfs/dbraw/zinc/89/30/10/759893010.db2.gz QTAPADPHLYXGTK-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928246174 760123824 /nfs/dbraw/zinc/12/38/24/760123824.db2.gz BXMLFZYXERLTIQ-ZWNOBZJWSA-N 1 2 356.304 3.162 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000931237018 760805057 /nfs/dbraw/zinc/80/50/57/760805057.db2.gz KLQVQEDMLWAUFK-UHFFFAOYSA-N 1 2 362.817 3.241 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000933976862 761511418 /nfs/dbraw/zinc/51/14/18/761511418.db2.gz XFRYOFNRXYHZSK-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000933976862 761511420 /nfs/dbraw/zinc/51/14/20/761511420.db2.gz XFRYOFNRXYHZSK-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000032810827 257336849 /nfs/dbraw/zinc/33/68/49/257336849.db2.gz FZDZYFCUVNMCDD-IBGZPJMESA-N 1 2 369.421 3.040 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000068254929 493784634 /nfs/dbraw/zinc/78/46/34/493784634.db2.gz XQOMZYDXEZEFKU-UHFFFAOYSA-N 1 2 357.435 3.062 20 5 FGBDLO Cc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000028649644 493795439 /nfs/dbraw/zinc/79/54/39/493795439.db2.gz RWZRKPMCZOVDCS-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000028683426 493797455 /nfs/dbraw/zinc/79/74/55/493797455.db2.gz XNFPEXAYHAAZEQ-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000028683426 493797459 /nfs/dbraw/zinc/79/74/59/493797459.db2.gz XNFPEXAYHAAZEQ-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000081315815 493867343 /nfs/dbraw/zinc/86/73/43/493867343.db2.gz IZAODHVHTGWZSL-QGZVFWFLSA-N 1 2 350.378 3.042 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cn21 ZINC000068772370 493870489 /nfs/dbraw/zinc/87/04/89/493870489.db2.gz XVIVBPYIIBXPHC-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccco1 ZINC000030276018 493884273 /nfs/dbraw/zinc/88/42/73/493884273.db2.gz VFQPQBOUWLTGEI-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccco1 ZINC000030276018 493884276 /nfs/dbraw/zinc/88/42/76/493884276.db2.gz VFQPQBOUWLTGEI-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000051377646 493965563 /nfs/dbraw/zinc/96/55/63/493965563.db2.gz XCIKPEGTBGTSTD-UHFFFAOYSA-N 1 2 373.428 3.450 20 5 FGBDLO COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000051377646 493965564 /nfs/dbraw/zinc/96/55/64/493965564.db2.gz XCIKPEGTBGTSTD-UHFFFAOYSA-N 1 2 373.428 3.450 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000051500143 493973432 /nfs/dbraw/zinc/97/34/32/493973432.db2.gz MFYYIVQWCMAMNR-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000051500143 493973435 /nfs/dbraw/zinc/97/34/35/493973435.db2.gz MFYYIVQWCMAMNR-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000007136686 494003999 /nfs/dbraw/zinc/00/39/99/494003999.db2.gz VPHRAWPHIHBDTK-GFCCVEGCSA-N 1 2 356.407 3.040 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000007136685 494004065 /nfs/dbraw/zinc/00/40/65/494004065.db2.gz VPHRAWPHIHBDTK-LBPRGKRZSA-N 1 2 356.407 3.040 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007266302 494012298 /nfs/dbraw/zinc/01/22/98/494012298.db2.gz QGLWCSOFEFGYGX-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007266302 494012301 /nfs/dbraw/zinc/01/23/01/494012301.db2.gz QGLWCSOFEFGYGX-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000083247365 494013929 /nfs/dbraw/zinc/01/39/29/494013929.db2.gz SVVYREHHMUENKH-CQSZACIVSA-N 1 2 369.849 3.324 20 5 FGBDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000083247365 494013933 /nfs/dbraw/zinc/01/39/33/494013933.db2.gz SVVYREHHMUENKH-CQSZACIVSA-N 1 2 369.849 3.324 20 5 FGBDLO CCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589879 494043598 /nfs/dbraw/zinc/04/35/98/494043598.db2.gz SRFDOUHBAIYEIG-UHFFFAOYSA-N 1 2 371.437 3.132 20 5 FGBDLO CCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589879 494043603 /nfs/dbraw/zinc/04/36/03/494043603.db2.gz SRFDOUHBAIYEIG-UHFFFAOYSA-N 1 2 371.437 3.132 20 5 FGBDLO COc1ccc(C)cc1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000007876260 494048520 /nfs/dbraw/zinc/04/85/20/494048520.db2.gz PVJYCAVZWLWDPW-UHFFFAOYSA-N 1 2 355.438 3.230 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000033223047 494052938 /nfs/dbraw/zinc/05/29/38/494052938.db2.gz JRHKWHYDOGQHKW-LBPRGKRZSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000033788440 494063229 /nfs/dbraw/zinc/06/32/29/494063229.db2.gz XILQOQKDFVXIDA-TWGQIWQCSA-N 1 2 365.433 3.374 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803201 494063699 /nfs/dbraw/zinc/06/36/99/494063699.db2.gz QESRKQBQMGYQCL-HNNXBMFYSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803201 494063701 /nfs/dbraw/zinc/06/37/01/494063701.db2.gz QESRKQBQMGYQCL-HNNXBMFYSA-N 1 2 361.423 3.441 20 5 FGBDLO Cc1ccn2cc(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000085636459 494134475 /nfs/dbraw/zinc/13/44/75/494134475.db2.gz YSKTUPPBERRLHU-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000009920195 494136279 /nfs/dbraw/zinc/13/62/79/494136279.db2.gz UVNGVLMCQLRIKK-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000009920195 494136281 /nfs/dbraw/zinc/13/62/81/494136281.db2.gz UVNGVLMCQLRIKK-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000077688825 494144595 /nfs/dbraw/zinc/14/45/95/494144595.db2.gz ZTVZHLFIDLOSRZ-IUODEOHRSA-N 1 2 366.377 3.427 20 5 FGBDLO Cc1nn(Cc2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000010165054 494144996 /nfs/dbraw/zinc/14/49/96/494144996.db2.gz ANHCFNBGIUJXCY-UHFFFAOYSA-N 1 2 365.393 3.412 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815050 494169584 /nfs/dbraw/zinc/16/95/84/494169584.db2.gz BJGAMBAWEZSYQR-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815050 494169586 /nfs/dbraw/zinc/16/95/86/494169586.db2.gz BJGAMBAWEZSYQR-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO COc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C ZINC000054282944 494216253 /nfs/dbraw/zinc/21/62/53/494216253.db2.gz LDLPSIYDYKLTMX-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054364358 494225650 /nfs/dbraw/zinc/22/56/50/494225650.db2.gz MMAZPVCAXKICDE-UHFFFAOYSA-N 1 2 351.453 3.066 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054364358 494225655 /nfs/dbraw/zinc/22/56/55/494225655.db2.gz MMAZPVCAXKICDE-UHFFFAOYSA-N 1 2 351.453 3.066 20 5 FGBDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605651 494252709 /nfs/dbraw/zinc/25/27/09/494252709.db2.gz VALBPNUCTAQLHT-KRWDZBQOSA-N 1 2 372.425 3.447 20 5 FGBDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605651 494252715 /nfs/dbraw/zinc/25/27/15/494252715.db2.gz VALBPNUCTAQLHT-KRWDZBQOSA-N 1 2 372.425 3.447 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836672 494261562 /nfs/dbraw/zinc/26/15/62/494261562.db2.gz MAALRIGYDRYXKD-INIZCTEOSA-N 1 2 367.471 3.005 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836672 494261566 /nfs/dbraw/zinc/26/15/66/494261566.db2.gz MAALRIGYDRYXKD-INIZCTEOSA-N 1 2 367.471 3.005 20 5 FGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000078627120 494333292 /nfs/dbraw/zinc/33/32/92/494333292.db2.gz ZEPQSNAQKLPENK-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000073314512 494356793 /nfs/dbraw/zinc/35/67/93/494356793.db2.gz NCXDUVUSWMRCGC-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000067031572 494458284 /nfs/dbraw/zinc/45/82/84/494458284.db2.gz KSVPHRMHSAHMIQ-QGZVFWFLSA-N 1 2 350.378 3.156 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131345537 494588997 /nfs/dbraw/zinc/58/89/97/494588997.db2.gz KCQVXBXKPUNCKQ-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131345537 494589004 /nfs/dbraw/zinc/58/90/04/494589004.db2.gz KCQVXBXKPUNCKQ-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131457542 494626109 /nfs/dbraw/zinc/62/61/09/494626109.db2.gz QOLLWAKITOCRRC-KRWDZBQOSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131457542 494626117 /nfs/dbraw/zinc/62/61/17/494626117.db2.gz QOLLWAKITOCRRC-KRWDZBQOSA-N 1 2 373.409 3.418 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000024478790 494634090 /nfs/dbraw/zinc/63/40/90/494634090.db2.gz NUQQVSORLWTSGG-UHFFFAOYSA-N 1 2 353.382 3.262 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000047273940 494670239 /nfs/dbraw/zinc/67/02/39/494670239.db2.gz CDMFOLVCEKWGGT-ZDUSSCGKSA-N 1 2 364.789 3.320 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000047273940 494670245 /nfs/dbraw/zinc/67/02/45/494670245.db2.gz CDMFOLVCEKWGGT-ZDUSSCGKSA-N 1 2 364.789 3.320 20 5 FGBDLO Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000047417532 494703092 /nfs/dbraw/zinc/70/30/92/494703092.db2.gz ITFYSMQQTGQXHL-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000108466587 494713814 /nfs/dbraw/zinc/71/38/14/494713814.db2.gz JLWCXXNMESCNIZ-AWEZNQCLSA-N 1 2 371.441 3.396 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000126363337 494724219 /nfs/dbraw/zinc/72/42/19/494724219.db2.gz HTOLRCWSCVGGKB-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025411761 494735901 /nfs/dbraw/zinc/73/59/01/494735901.db2.gz SPXVWJXUROEYPU-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000091978308 494740851 /nfs/dbraw/zinc/74/08/51/494740851.db2.gz OFBIAVWBURGRTO-HZPDHXFCSA-N 1 2 371.462 3.218 20 5 FGBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000080640666 494752578 /nfs/dbraw/zinc/75/25/78/494752578.db2.gz WPRABXDZAXMTRP-ZDUSSCGKSA-N 1 2 360.389 3.021 20 5 FGBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000116325356 494762691 /nfs/dbraw/zinc/76/26/91/494762691.db2.gz WFDXQZFEONWKNE-SFHVURJKSA-N 1 2 371.462 3.292 20 5 FGBDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000116325356 494762693 /nfs/dbraw/zinc/76/26/93/494762693.db2.gz WFDXQZFEONWKNE-SFHVURJKSA-N 1 2 371.462 3.292 20 5 FGBDLO Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000121534101 494794416 /nfs/dbraw/zinc/79/44/16/494794416.db2.gz LYUFEPKCYBIPBJ-UHFFFAOYSA-N 1 2 354.410 3.462 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000126713615 494825374 /nfs/dbraw/zinc/82/53/74/494825374.db2.gz VXIKMVZGOAZLPI-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000126713615 494825378 /nfs/dbraw/zinc/82/53/78/494825378.db2.gz VXIKMVZGOAZLPI-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000109355681 494862771 /nfs/dbraw/zinc/86/27/71/494862771.db2.gz LVAKRAJGAOYZKM-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027475017 494869726 /nfs/dbraw/zinc/86/97/26/494869726.db2.gz TZSXLCOOJXAGIH-GFCCVEGCSA-N 1 2 357.435 3.165 20 5 FGBDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027475017 494869729 /nfs/dbraw/zinc/86/97/29/494869729.db2.gz TZSXLCOOJXAGIH-GFCCVEGCSA-N 1 2 357.435 3.165 20 5 FGBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1OC ZINC000093338261 494873132 /nfs/dbraw/zinc/87/31/32/494873132.db2.gz JHROUMZHGZZCDA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1OC ZINC000093338261 494873135 /nfs/dbraw/zinc/87/31/35/494873135.db2.gz JHROUMZHGZZCDA-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO CCN(C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770817 494920277 /nfs/dbraw/zinc/92/02/77/494920277.db2.gz OKVNOLDRKCAADF-LBPRGKRZSA-N 1 2 361.364 3.007 20 5 FGBDLO CCN(C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770817 494920281 /nfs/dbraw/zinc/92/02/81/494920281.db2.gz OKVNOLDRKCAADF-LBPRGKRZSA-N 1 2 361.364 3.007 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093809941 494923416 /nfs/dbraw/zinc/92/34/16/494923416.db2.gz DRHHUVHFSLQKJV-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093809941 494923418 /nfs/dbraw/zinc/92/34/18/494923418.db2.gz DRHHUVHFSLQKJV-MRXNPFEDSA-N 1 2 353.382 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866307 494928558 /nfs/dbraw/zinc/92/85/58/494928558.db2.gz ZCROGULNFXNGGQ-OAHLLOKOSA-N 1 2 365.336 3.245 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866307 494928562 /nfs/dbraw/zinc/92/85/62/494928562.db2.gz ZCROGULNFXNGGQ-OAHLLOKOSA-N 1 2 365.336 3.245 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000127364438 494933856 /nfs/dbraw/zinc/93/38/56/494933856.db2.gz RMWFVYBULFBJRE-UHFFFAOYSA-N 1 2 369.402 3.385 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133223510 494987344 /nfs/dbraw/zinc/98/73/44/494987344.db2.gz UVSQVQCJNCIBJH-SJORKVTESA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133223510 494987346 /nfs/dbraw/zinc/98/73/46/494987346.db2.gz UVSQVQCJNCIBJH-SJORKVTESA-N 1 2 361.348 3.048 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000111240068 495052793 /nfs/dbraw/zinc/05/27/93/495052793.db2.gz FZDSQBAJQOQMQV-CYBMUJFWSA-N 1 2 373.409 3.331 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000111240068 495052796 /nfs/dbraw/zinc/05/27/96/495052796.db2.gz FZDSQBAJQOQMQV-CYBMUJFWSA-N 1 2 373.409 3.331 20 5 FGBDLO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123349201 495118484 /nfs/dbraw/zinc/11/84/84/495118484.db2.gz JRPBGUKQXFDJPX-UHFFFAOYSA-N 1 2 368.231 3.172 20 5 FGBDLO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123349201 495118487 /nfs/dbraw/zinc/11/84/87/495118487.db2.gz JRPBGUKQXFDJPX-UHFFFAOYSA-N 1 2 368.231 3.172 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000119521930 495182197 /nfs/dbraw/zinc/18/21/97/495182197.db2.gz CRIQKUBEFJQESH-LBPRGKRZSA-N 1 2 362.817 3.077 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000119827574 495250415 /nfs/dbraw/zinc/25/04/15/495250415.db2.gz ZORLTFZUGDJHFV-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000119845100 495253219 /nfs/dbraw/zinc/25/32/19/495253219.db2.gz ILIJRIJHHUTPFX-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO COC(=O)c1cc(NCCCCNc2cccc[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000130557396 495410186 /nfs/dbraw/zinc/41/01/86/495410186.db2.gz LDQGXBJFWHAZID-UHFFFAOYSA-N 1 2 358.398 3.389 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccncc3)o2)cc1 ZINC000125485975 495451722 /nfs/dbraw/zinc/45/17/22/495451722.db2.gz USOWZJCNNKOQIK-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000131176308 495501886 /nfs/dbraw/zinc/50/18/86/495501886.db2.gz ABNYYZDFRAIIAU-KRWDZBQOSA-N 1 2 373.409 3.134 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000131176308 495501890 /nfs/dbraw/zinc/50/18/90/495501890.db2.gz ABNYYZDFRAIIAU-KRWDZBQOSA-N 1 2 373.409 3.134 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000158541998 495534366 /nfs/dbraw/zinc/53/43/66/495534366.db2.gz YBRWQXKVJAASDG-PBHICJAKSA-N 1 2 370.409 3.222 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc2[nH+]1 ZINC000176206962 495545885 /nfs/dbraw/zinc/54/58/85/495545885.db2.gz NSXDNSANGSKNOI-UHFFFAOYSA-N 1 2 351.366 3.044 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000147491600 495575819 /nfs/dbraw/zinc/57/58/19/495575819.db2.gz ZDQHCQZBVWHCMT-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(C)noc1C ZINC000182502967 495588611 /nfs/dbraw/zinc/58/86/11/495588611.db2.gz UOSBEUSHMPGHQK-CQSZACIVSA-N 1 2 357.370 3.491 20 5 FGBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179563773 495641845 /nfs/dbraw/zinc/64/18/45/495641845.db2.gz UVEKEYRMUKSERM-CQSZACIVSA-N 1 2 351.410 3.374 20 5 FGBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179563773 495641851 /nfs/dbraw/zinc/64/18/51/495641851.db2.gz UVEKEYRMUKSERM-CQSZACIVSA-N 1 2 351.410 3.374 20 5 FGBDLO CC(C)OC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000159059386 495647412 /nfs/dbraw/zinc/64/74/12/495647412.db2.gz RBKSTQNORZJADB-UHFFFAOYSA-N 1 2 372.425 3.247 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000176510822 495677415 /nfs/dbraw/zinc/67/74/15/495677415.db2.gz KNXFRMHECHMCOI-UHFFFAOYSA-N 1 2 370.434 3.416 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cncs2)CC1 ZINC000179654935 495678940 /nfs/dbraw/zinc/67/89/40/495678940.db2.gz SRCSQZPGNXENJG-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000182857607 495729770 /nfs/dbraw/zinc/72/97/70/495729770.db2.gz TXZJGKXKWBJFHT-HNNXBMFYSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)n2C ZINC000185842688 495747188 /nfs/dbraw/zinc/74/71/88/495747188.db2.gz WDXZTHNUHYNWMQ-UHFFFAOYSA-N 1 2 360.801 3.433 20 5 FGBDLO COc1ccc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000173981411 495774134 /nfs/dbraw/zinc/77/41/34/495774134.db2.gz FSPOPEUNCUCGJM-CYBMUJFWSA-N 1 2 368.393 3.428 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179913191 495780874 /nfs/dbraw/zinc/78/08/74/495780874.db2.gz HAYYLYOQHDHYPT-LBPRGKRZSA-N 1 2 361.373 3.340 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151524919 495866602 /nfs/dbraw/zinc/86/66/02/495866602.db2.gz PFWPLXNVTIWRIN-CQSZACIVSA-N 1 2 357.414 3.123 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cc(F)cc([N+](=O)[O-])c3)c2cc1C ZINC000155277071 495901685 /nfs/dbraw/zinc/90/16/85/495901685.db2.gz TUFVLUZCSYCXMZ-OAHLLOKOSA-N 1 2 359.357 3.140 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000171616288 495949406 /nfs/dbraw/zinc/94/94/06/495949406.db2.gz LKAACXQNNUNCEJ-UHFFFAOYSA-N 1 2 364.405 3.097 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000171616288 495949415 /nfs/dbraw/zinc/94/94/15/495949415.db2.gz LKAACXQNNUNCEJ-UHFFFAOYSA-N 1 2 364.405 3.097 20 5 FGBDLO Cc1c([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000186431718 495996320 /nfs/dbraw/zinc/99/63/20/495996320.db2.gz OKLAQQRYTKZGSA-AWEZNQCLSA-N 1 2 367.409 3.451 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000171773759 496030729 /nfs/dbraw/zinc/03/07/29/496030729.db2.gz QBLGEYIXXHOSIJ-UHFFFAOYSA-N 1 2 368.397 3.209 20 5 FGBDLO Cc1oc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc(N)c2c1C ZINC000155715640 496044625 /nfs/dbraw/zinc/04/46/25/496044625.db2.gz MEUWAHACIFBBRY-UHFFFAOYSA-N 1 2 367.409 3.495 20 5 FGBDLO Cc1oc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc(N)c2c1C ZINC000155715640 496044629 /nfs/dbraw/zinc/04/46/29/496044629.db2.gz MEUWAHACIFBBRY-UHFFFAOYSA-N 1 2 367.409 3.495 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1NCc1cc[nH+]c(N3CCCC3)c1)CCCC2 ZINC000574634804 505820357 /nfs/dbraw/zinc/82/03/57/505820357.db2.gz VFQSDBCNILUFFJ-UHFFFAOYSA-N 1 2 353.426 3.476 20 5 FGBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000161108464 496105521 /nfs/dbraw/zinc/10/55/21/496105521.db2.gz ONULVGJJULDMIU-LBPRGKRZSA-N 1 2 362.817 3.492 20 5 FGBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000161108464 496105525 /nfs/dbraw/zinc/10/55/25/496105525.db2.gz ONULVGJJULDMIU-LBPRGKRZSA-N 1 2 362.817 3.492 20 5 FGBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)c1 ZINC000183868221 496143434 /nfs/dbraw/zinc/14/34/34/496143434.db2.gz FOFYCKCLIPMRDT-FQEVSTJZSA-N 1 2 363.421 3.402 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000156139464 496168638 /nfs/dbraw/zinc/16/86/38/496168638.db2.gz LULRCDOMYCYSOX-UHFFFAOYSA-N 1 2 369.381 3.083 20 5 FGBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cc1F ZINC000571869635 505832976 /nfs/dbraw/zinc/83/29/76/505832976.db2.gz MQSXVQMQBWXBNX-MRVPVSSYSA-N 1 2 357.183 3.081 20 5 FGBDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162068647 496290889 /nfs/dbraw/zinc/29/08/89/496290889.db2.gz MTRLJIDFYGHLHB-INIZCTEOSA-N 1 2 373.384 3.366 20 5 FGBDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162068647 496290895 /nfs/dbraw/zinc/29/08/95/496290895.db2.gz MTRLJIDFYGHLHB-INIZCTEOSA-N 1 2 373.384 3.366 20 5 FGBDLO CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178029276 496295430 /nfs/dbraw/zinc/29/54/30/496295430.db2.gz BZANWHDFKBPTQK-CZUORRHYSA-N 1 2 360.439 3.185 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1O ZINC000184234083 496297171 /nfs/dbraw/zinc/29/71/71/496297171.db2.gz OWFHWPJVRVWMEG-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1O ZINC000184234083 496297175 /nfs/dbraw/zinc/29/71/75/496297175.db2.gz OWFHWPJVRVWMEG-UHFFFAOYSA-N 1 2 350.346 3.089 20 5 FGBDLO Cc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000153065325 496341857 /nfs/dbraw/zinc/34/18/57/496341857.db2.gz OMUTTZMBNYYOLU-UHFFFAOYSA-N 1 2 368.437 3.418 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184470060 496397047 /nfs/dbraw/zinc/39/70/47/496397047.db2.gz DUELAESSSBZTEA-CYBMUJFWSA-N 1 2 368.405 3.296 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184470060 496397048 /nfs/dbraw/zinc/39/70/48/496397048.db2.gz DUELAESSSBZTEA-CYBMUJFWSA-N 1 2 368.405 3.296 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153283306 496407970 /nfs/dbraw/zinc/40/79/70/496407970.db2.gz JZNKKTXJMLVSTR-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153283306 496407976 /nfs/dbraw/zinc/40/79/76/496407976.db2.gz JZNKKTXJMLVSTR-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349772 496427532 /nfs/dbraw/zinc/42/75/32/496427532.db2.gz NKSRXBBIYZTSQT-KBPBESRZSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153349772 496427534 /nfs/dbraw/zinc/42/75/34/496427534.db2.gz NKSRXBBIYZTSQT-KBPBESRZSA-N 1 2 371.412 3.358 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000181684261 496501776 /nfs/dbraw/zinc/50/17/76/496501776.db2.gz HLOXFWSSXHPEOT-INIZCTEOSA-N 1 2 354.366 3.122 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000184824696 496546973 /nfs/dbraw/zinc/54/69/73/496546973.db2.gz CQBGYSWIGCEHDP-INIZCTEOSA-N 1 2 358.442 3.332 20 5 FGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173201979 496591233 /nfs/dbraw/zinc/59/12/33/496591233.db2.gz ZOWLTDNYTZGFKW-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173201979 496591238 /nfs/dbraw/zinc/59/12/38/496591238.db2.gz ZOWLTDNYTZGFKW-ZDUSSCGKSA-N 1 2 374.466 3.464 20 5 FGBDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182171657 496695929 /nfs/dbraw/zinc/69/59/29/496695929.db2.gz HXKCCISEUHAJBB-AWEZNQCLSA-N 1 2 355.394 3.337 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000182198347 496704292 /nfs/dbraw/zinc/70/42/92/496704292.db2.gz DFDOCSYXWGDIDF-HNNXBMFYSA-N 1 2 372.377 3.223 20 5 FGBDLO COCC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccco1 ZINC000273224312 496745272 /nfs/dbraw/zinc/74/52/72/496745272.db2.gz DTXRWEBOFMXFEL-CQSZACIVSA-N 1 2 358.354 3.105 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1C ZINC000273358098 496783646 /nfs/dbraw/zinc/78/36/46/496783646.db2.gz DTKPLDWZGYKHEB-UHFFFAOYSA-N 1 2 362.361 3.418 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nncn1C ZINC000264382602 496887229 /nfs/dbraw/zinc/88/72/29/496887229.db2.gz OZQAHIKOZNPRJU-JTQLQIEISA-N 1 2 361.789 3.488 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1csc([N+](=O)[O-])c1 ZINC000188751917 496897778 /nfs/dbraw/zinc/89/77/78/496897778.db2.gz LMZATXKBHGTZPG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1csc([N+](=O)[O-])c1 ZINC000188751917 496897783 /nfs/dbraw/zinc/89/77/83/496897783.db2.gz LMZATXKBHGTZPG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000273768489 496901323 /nfs/dbraw/zinc/90/13/23/496901323.db2.gz QJLHSRTVPLYNOQ-SSDOTTSWSA-N 1 2 357.233 3.368 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776767 496914069 /nfs/dbraw/zinc/91/40/69/496914069.db2.gz WYBHWTXQQIGBNN-ZQIUZPCESA-N 1 2 374.466 3.382 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248369824 496984834 /nfs/dbraw/zinc/98/48/34/496984834.db2.gz WSJSYMIPLAIYSQ-JLTOFOAXSA-N 1 2 351.406 3.177 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248369824 496984842 /nfs/dbraw/zinc/98/48/42/496984842.db2.gz WSJSYMIPLAIYSQ-JLTOFOAXSA-N 1 2 351.406 3.177 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000192241397 497044879 /nfs/dbraw/zinc/04/48/79/497044879.db2.gz COWWKSNBVKBUJQ-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000192241397 497044884 /nfs/dbraw/zinc/04/48/84/497044884.db2.gz COWWKSNBVKBUJQ-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265325187 497100363 /nfs/dbraw/zinc/10/03/63/497100363.db2.gz SLDDPXVZEOQJTE-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000192598199 497160010 /nfs/dbraw/zinc/16/00/10/497160010.db2.gz KABOXJKUDZAYQZ-ZDUSSCGKSA-N 1 2 353.373 3.113 20 5 FGBDLO Cc1cc(N2CCOC[C@H]2CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000578228879 505892976 /nfs/dbraw/zinc/89/29/76/505892976.db2.gz YFEAGRDQFOVQCB-CQSZACIVSA-N 1 2 364.352 3.221 20 5 FGBDLO Cc1cc(N2CCOC[C@@H]2CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000578228878 505893243 /nfs/dbraw/zinc/89/32/43/505893243.db2.gz YFEAGRDQFOVQCB-AWEZNQCLSA-N 1 2 364.352 3.221 20 5 FGBDLO C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000270968825 497236984 /nfs/dbraw/zinc/23/69/84/497236984.db2.gz PPHWUEMJTXARLG-GWCFXTLKSA-N 1 2 366.219 3.036 20 5 FGBDLO O=C(c1cccc(F)c1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424542 497366587 /nfs/dbraw/zinc/36/65/87/497366587.db2.gz IMWAMEIIDQHAQM-DAXSKMNVSA-N 1 2 369.396 3.205 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000266950799 497454914 /nfs/dbraw/zinc/45/49/14/497454914.db2.gz ZUDSZFBSLFXDDO-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000266950799 497454919 /nfs/dbraw/zinc/45/49/19/497454919.db2.gz ZUDSZFBSLFXDDO-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[N@H+](Cc2cscn2)CC1 ZINC000266950799 497454923 /nfs/dbraw/zinc/45/49/23/497454923.db2.gz ZUDSZFBSLFXDDO-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266950799 497454926 /nfs/dbraw/zinc/45/49/26/497454926.db2.gz ZUDSZFBSLFXDDO-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000271832226 497464107 /nfs/dbraw/zinc/46/41/07/497464107.db2.gz XGGRZZKDNJYQOE-OAHLLOKOSA-N 1 2 368.842 3.124 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000572182795 505908648 /nfs/dbraw/zinc/90/86/48/505908648.db2.gz PXWHSUAXOLXMLC-LBPRGKRZSA-N 1 2 355.394 3.500 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1 ZINC000267623849 497589492 /nfs/dbraw/zinc/58/94/92/497589492.db2.gz QYZOXQYZAABHHZ-UHFFFAOYSA-N 1 2 357.366 3.385 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1 ZINC000267623849 497589495 /nfs/dbraw/zinc/58/94/95/497589495.db2.gz QYZOXQYZAABHHZ-UHFFFAOYSA-N 1 2 357.366 3.385 20 5 FGBDLO CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276552962 497600378 /nfs/dbraw/zinc/60/03/78/497600378.db2.gz GKJQRKTYYXYMTP-INIZCTEOSA-N 1 2 357.414 3.045 20 5 FGBDLO CC(C)(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000581137429 505917708 /nfs/dbraw/zinc/91/77/08/505917708.db2.gz SBTVYUGLMXRBDG-UHFFFAOYSA-N 1 2 354.819 3.115 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190960698 497661155 /nfs/dbraw/zinc/66/11/55/497661155.db2.gz SZXFKOOSPOZUQI-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190960698 497661157 /nfs/dbraw/zinc/66/11/57/497661157.db2.gz SZXFKOOSPOZUQI-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000272923965 497763266 /nfs/dbraw/zinc/76/32/66/497763266.db2.gz JMAOPVZFMZNKNJ-MRXNPFEDSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000272923965 497763268 /nfs/dbraw/zinc/76/32/68/497763268.db2.gz JMAOPVZFMZNKNJ-MRXNPFEDSA-N 1 2 366.464 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000263633635 497804076 /nfs/dbraw/zinc/80/40/76/497804076.db2.gz QQLNDBPXAYCSKI-YVMONPNESA-N 1 2 365.433 3.374 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000263722278 497810945 /nfs/dbraw/zinc/81/09/45/497810945.db2.gz KHZNRKVIQBAFOS-UHFFFAOYSA-N 1 2 351.204 3.395 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1)CCCC2 ZINC000284739711 497884428 /nfs/dbraw/zinc/88/44/28/497884428.db2.gz XSIREVXGHSUXAH-AWEZNQCLSA-N 1 2 360.439 3.246 20 5 FGBDLO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782122 497897791 /nfs/dbraw/zinc/89/77/91/497897791.db2.gz KMGBDPHLQABARO-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782122 497897798 /nfs/dbraw/zinc/89/77/98/497897798.db2.gz KMGBDPHLQABARO-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825652 497910817 /nfs/dbraw/zinc/91/08/17/497910817.db2.gz NLPDHLFBCGMEOE-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825652 497910824 /nfs/dbraw/zinc/91/08/24/497910824.db2.gz NLPDHLFBCGMEOE-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301126343 497963400 /nfs/dbraw/zinc/96/34/00/497963400.db2.gz UIGWVBMOZKNDKG-HNNXBMFYSA-N 1 2 370.409 3.140 20 5 FGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([S@@](C)=O)cc1 ZINC000285113603 497997477 /nfs/dbraw/zinc/99/74/77/497997477.db2.gz ABNBXQWXBLUXHM-CCGUKBGLSA-N 1 2 354.378 3.461 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296407005 498031404 /nfs/dbraw/zinc/03/14/04/498031404.db2.gz WZTZWBNNKIKBPY-BYIUCRAPSA-N 1 2 354.410 3.341 20 5 FGBDLO Cc1cccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000301294528 498043095 /nfs/dbraw/zinc/04/30/95/498043095.db2.gz OUIZSIFLEFKCRO-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296518779 498076916 /nfs/dbraw/zinc/07/69/16/498076916.db2.gz MNRWHSAOHOSMPL-HNNXBMFYSA-N 1 2 358.442 3.171 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(Nc3ccc([NH+]4CCC(O)CC4)cc3)nc2c1 ZINC000296521353 498077703 /nfs/dbraw/zinc/07/77/03/498077703.db2.gz MUAWZYDPIRMOOR-UHFFFAOYSA-N 1 2 353.382 3.176 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301652733 498207408 /nfs/dbraw/zinc/20/74/08/498207408.db2.gz QSGCGLMCSMRXEJ-MOPGFXCFSA-N 1 2 373.840 3.338 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301652733 498207414 /nfs/dbraw/zinc/20/74/14/498207414.db2.gz QSGCGLMCSMRXEJ-MOPGFXCFSA-N 1 2 373.840 3.338 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000281736875 498251964 /nfs/dbraw/zinc/25/19/64/498251964.db2.gz JDYNHGWCAKICSI-QGZVFWFLSA-N 1 2 371.441 3.001 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000301803871 498272227 /nfs/dbraw/zinc/27/22/27/498272227.db2.gz UMTMNYRBYBODBI-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000281969374 498339319 /nfs/dbraw/zinc/33/93/19/498339319.db2.gz NTVOLKSFDSYUFN-CQSZACIVSA-N 1 2 359.386 3.476 20 5 FGBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1 ZINC000302108052 498407818 /nfs/dbraw/zinc/40/78/18/498407818.db2.gz ASAXHINXILYOGY-UHFFFAOYSA-N 1 2 356.411 3.217 20 5 FGBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1 ZINC000302108052 498407826 /nfs/dbraw/zinc/40/78/26/498407826.db2.gz ASAXHINXILYOGY-UHFFFAOYSA-N 1 2 356.411 3.217 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286685525 498475912 /nfs/dbraw/zinc/47/59/12/498475912.db2.gz VRXHNNVBGSPBGX-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286685525 498475903 /nfs/dbraw/zinc/47/59/03/498475903.db2.gz VRXHNNVBGSPBGX-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO CC[C@@]1(CO)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302474283 498491493 /nfs/dbraw/zinc/49/14/93/498491493.db2.gz WLLJGBSAAIMCEF-LJQANCHMSA-N 1 2 356.426 3.349 20 5 FGBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282539542 498550888 /nfs/dbraw/zinc/55/08/88/498550888.db2.gz CAJKCCFWMMPFLX-UHFFFAOYSA-N 1 2 355.398 3.491 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540402 498551134 /nfs/dbraw/zinc/55/11/34/498551134.db2.gz VXICHHDASMFROP-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540402 498551138 /nfs/dbraw/zinc/55/11/38/498551138.db2.gz VXICHHDASMFROP-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362812739 498558416 /nfs/dbraw/zinc/55/84/16/498558416.db2.gz DJNIFKWXTJNVKO-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362812739 498558424 /nfs/dbraw/zinc/55/84/24/498558424.db2.gz DJNIFKWXTJNVKO-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO CC1CC[NH+](c2ccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])cc2)CC1 ZINC000290469689 498565349 /nfs/dbraw/zinc/56/53/49/498565349.db2.gz GMAGMBMGQDEHJX-UHFFFAOYSA-N 1 2 355.398 3.069 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nc1 ZINC000302783788 498573211 /nfs/dbraw/zinc/57/32/11/498573211.db2.gz LHXMGSWWXOSXIF-NSHDSACASA-N 1 2 353.304 3.094 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000302802074 498581592 /nfs/dbraw/zinc/58/15/92/498581592.db2.gz CUNCJIBWVBKNDD-MRXNPFEDSA-N 1 2 371.890 3.176 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282800014 498659198 /nfs/dbraw/zinc/65/91/98/498659198.db2.gz NAXKZXINCUBSAS-UHFFFAOYSA-N 1 2 351.410 3.424 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000282800014 498659201 /nfs/dbraw/zinc/65/92/01/498659201.db2.gz NAXKZXINCUBSAS-UHFFFAOYSA-N 1 2 351.410 3.424 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000303367490 498669440 /nfs/dbraw/zinc/66/94/40/498669440.db2.gz KPBVKTOJTXBLHJ-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000303367490 498669448 /nfs/dbraw/zinc/66/94/48/498669448.db2.gz KPBVKTOJTXBLHJ-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290852030 498700386 /nfs/dbraw/zinc/70/03/86/498700386.db2.gz JTHAARYVOSSVKX-UHFFFAOYSA-N 1 2 373.240 3.496 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000572920952 506083499 /nfs/dbraw/zinc/08/34/99/506083499.db2.gz UXHNRWPLQMPIJO-HNNXBMFYSA-N 1 2 364.405 3.260 20 5 FGBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000366143781 498796100 /nfs/dbraw/zinc/79/61/00/498796100.db2.gz LPTIOOPXIRSMKZ-UHFFFAOYSA-N 1 2 368.397 3.012 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000366578419 498987513 /nfs/dbraw/zinc/98/75/13/498987513.db2.gz WGHFFWODYDYLFP-CQSZACIVSA-N 1 2 357.414 3.416 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000372524586 499138924 /nfs/dbraw/zinc/13/89/24/499138924.db2.gz RUSADRWLKKYJPX-DOTOQJQBSA-N 1 2 356.426 3.261 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000370161080 499190203 /nfs/dbraw/zinc/19/02/03/499190203.db2.gz JBWDAMWJWXJORJ-ZYHUDNBSSA-N 1 2 369.347 3.162 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370324593 499209640 /nfs/dbraw/zinc/20/96/40/499209640.db2.gz KFAPKQDEZUFWMJ-KBPBESRZSA-N 1 2 372.400 3.018 20 5 FGBDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000368164044 499270491 /nfs/dbraw/zinc/27/04/91/499270491.db2.gz BNRLIBBBQGSZRP-INIZCTEOSA-N 1 2 364.833 3.258 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CCC2 ZINC000368384742 499291319 /nfs/dbraw/zinc/29/13/19/499291319.db2.gz XJAANLDQZNERIU-AWEZNQCLSA-N 1 2 357.414 3.416 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368463544 499298329 /nfs/dbraw/zinc/29/83/29/499298329.db2.gz VNLLQNQVPQHCOO-SDNWHVSQSA-N 1 2 354.410 3.190 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000369013132 499357271 /nfs/dbraw/zinc/35/72/71/499357271.db2.gz YJKCYRRKHNENDU-HNNXBMFYSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000369013132 499357272 /nfs/dbraw/zinc/35/72/72/499357272.db2.gz YJKCYRRKHNENDU-HNNXBMFYSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC2 ZINC000371737125 499360193 /nfs/dbraw/zinc/36/01/93/499360193.db2.gz RBAORTPTEVMIEZ-UHFFFAOYSA-N 1 2 360.439 3.256 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000371829895 499369567 /nfs/dbraw/zinc/36/95/67/499369567.db2.gz WMLGHKDNBGZXII-ISBHARSQSA-N 1 2 354.410 3.197 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768068 499553672 /nfs/dbraw/zinc/55/36/72/499553672.db2.gz LGXSPTNYHMXUSH-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768068 499553673 /nfs/dbraw/zinc/55/36/73/499553673.db2.gz LGXSPTNYHMXUSH-HUUCEWRRSA-N 1 2 361.442 3.027 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000576420394 506153427 /nfs/dbraw/zinc/15/34/27/506153427.db2.gz MSCSEYNQJAQXBM-UHFFFAOYSA-N 1 2 364.352 3.225 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377394528 499686367 /nfs/dbraw/zinc/68/63/67/499686367.db2.gz XPHSHWHSVUGGPC-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377394528 499686368 /nfs/dbraw/zinc/68/63/68/499686368.db2.gz XPHSHWHSVUGGPC-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000377629265 499712770 /nfs/dbraw/zinc/71/27/70/499712770.db2.gz WKOUBRSIOLBAIU-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000377629265 499712771 /nfs/dbraw/zinc/71/27/71/499712771.db2.gz WKOUBRSIOLBAIU-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](OCc4ccncc4)C3)c2c1 ZINC000413211128 499927622 /nfs/dbraw/zinc/92/76/22/499927622.db2.gz WMRUPHGPAJOYOC-KRWDZBQOSA-N 1 2 350.378 3.334 20 5 FGBDLO Cn1ccnc1[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413313094 499940330 /nfs/dbraw/zinc/94/03/30/499940330.db2.gz GYHRGLDTSFNDCF-BBRMVZONSA-N 1 2 353.382 3.209 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429124522 500007337 /nfs/dbraw/zinc/00/73/37/500007337.db2.gz AZBFVWUJBPLEHI-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429124522 500007340 /nfs/dbraw/zinc/00/73/40/500007340.db2.gz AZBFVWUJBPLEHI-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158595 500015283 /nfs/dbraw/zinc/01/52/83/500015283.db2.gz YGZBDXQWMLDTQJ-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158595 500015286 /nfs/dbraw/zinc/01/52/86/500015286.db2.gz YGZBDXQWMLDTQJ-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO Cc1cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421553406 500079716 /nfs/dbraw/zinc/07/97/16/500079716.db2.gz DQSYOBXBXHEGFF-UHFFFAOYSA-N 1 2 354.410 3.137 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)cs2)c1 ZINC000425358057 500084559 /nfs/dbraw/zinc/08/45/59/500084559.db2.gz YZLKNGFVGLHFQZ-MRXNPFEDSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)cs2)c1 ZINC000425358057 500084562 /nfs/dbraw/zinc/08/45/62/500084562.db2.gz YZLKNGFVGLHFQZ-MRXNPFEDSA-N 1 2 370.438 3.147 20 5 FGBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000413981802 500115221 /nfs/dbraw/zinc/11/52/21/500115221.db2.gz DLWROFFUMLUFAY-ZDUSSCGKSA-N 1 2 356.304 3.097 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000573365031 506180670 /nfs/dbraw/zinc/18/06/70/506180670.db2.gz ZPRPYEUBVOCPFN-OAHLLOKOSA-N 1 2 367.453 3.147 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000430212251 500209831 /nfs/dbraw/zinc/20/98/31/500209831.db2.gz ZWAXRMRPCAUOQS-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000430212251 500209834 /nfs/dbraw/zinc/20/98/34/500209834.db2.gz ZWAXRMRPCAUOQS-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO [NH3+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000423160056 500349965 /nfs/dbraw/zinc/34/99/65/500349965.db2.gz GSGCGIWACUCZBA-KRWDZBQOSA-N 1 2 363.364 3.012 20 5 FGBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000420587572 500475562 /nfs/dbraw/zinc/47/55/62/500475562.db2.gz PWTUIMXDJVLOLS-UHFFFAOYSA-N 1 2 369.425 3.081 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444246015 500823508 /nfs/dbraw/zinc/82/35/08/500823508.db2.gz YMJNSXWWCVRYTA-HNNXBMFYSA-N 1 2 372.428 3.045 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000438942524 500838330 /nfs/dbraw/zinc/83/83/30/500838330.db2.gz QAGLQUYNTJISGE-CQSZACIVSA-N 1 2 361.785 3.245 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccco1 ZINC000602566275 506219714 /nfs/dbraw/zinc/21/97/14/506219714.db2.gz WTKNWVDNGNDILN-JTQLQIEISA-N 1 2 361.217 3.489 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579308 506220909 /nfs/dbraw/zinc/22/09/09/506220909.db2.gz VERLIMBSVXNPEL-GXFFZTMASA-N 1 2 368.340 3.409 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579308 506220916 /nfs/dbraw/zinc/22/09/16/506220916.db2.gz VERLIMBSVXNPEL-GXFFZTMASA-N 1 2 368.340 3.409 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449020427 500900161 /nfs/dbraw/zinc/90/01/61/500900161.db2.gz ZDNFNBVMMGCMHU-UHFFFAOYSA-N 1 2 371.418 3.361 20 5 FGBDLO CCc1cc(N[C@H](CC)C[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439714548 500930524 /nfs/dbraw/zinc/93/05/24/500930524.db2.gz LWXQMWRDTBNVPZ-DZGCQCFKSA-N 1 2 358.442 3.245 20 5 FGBDLO Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cnn1CC(C)C ZINC000450338128 501094980 /nfs/dbraw/zinc/09/49/80/501094980.db2.gz WWEQVDQYPQKOGW-UHFFFAOYSA-N 1 2 368.397 3.194 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000436366434 501115019 /nfs/dbraw/zinc/11/50/19/501115019.db2.gz JZHITIBXGNBTMP-HNNXBMFYSA-N 1 2 372.428 3.424 20 5 FGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717887 501155869 /nfs/dbraw/zinc/15/58/69/501155869.db2.gz VWJDWVDYACMDJM-HNNXBMFYSA-N 1 2 357.454 3.348 20 5 FGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717887 501155873 /nfs/dbraw/zinc/15/58/73/501155873.db2.gz VWJDWVDYACMDJM-HNNXBMFYSA-N 1 2 357.454 3.348 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000451246097 501254588 /nfs/dbraw/zinc/25/45/88/501254588.db2.gz JFLQRPDVFOPBPK-UHFFFAOYSA-N 1 2 367.409 3.453 20 5 FGBDLO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000451289441 501257725 /nfs/dbraw/zinc/25/77/25/501257725.db2.gz WEFPZKNKFOMCNH-UHFFFAOYSA-N 1 2 360.439 3.138 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1C ZINC000451365901 501276280 /nfs/dbraw/zinc/27/62/80/501276280.db2.gz HOCGNMNKZBIKKM-HOCLYGCPSA-N 1 2 372.425 3.058 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451400885 501283343 /nfs/dbraw/zinc/28/33/43/501283343.db2.gz CBYYKYPRYZQENT-UHFFFAOYSA-N 1 2 373.457 3.335 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(CC3CC(F)(F)C3)no2)cc1-n1cc[nH+]c1 ZINC000453351062 501318699 /nfs/dbraw/zinc/31/86/99/501318699.db2.gz JAUXAFCXJMVCSZ-UHFFFAOYSA-N 1 2 361.308 3.418 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC(F)(F)CC1 ZINC000451778735 501370420 /nfs/dbraw/zinc/37/04/20/501370420.db2.gz DUQMRKBITBSRDZ-UHFFFAOYSA-N 1 2 364.352 3.430 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451843019 501384049 /nfs/dbraw/zinc/38/40/49/501384049.db2.gz FUJRXAAMZYERFD-GOSISDBHSA-N 1 2 355.394 3.378 20 5 FGBDLO CN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451843019 501384051 /nfs/dbraw/zinc/38/40/51/501384051.db2.gz FUJRXAAMZYERFD-GOSISDBHSA-N 1 2 355.394 3.378 20 5 FGBDLO CNc1nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1[N+](=O)[O-] ZINC000455990193 501432799 /nfs/dbraw/zinc/43/27/99/501432799.db2.gz CQYQSWKAJNAPDM-UHFFFAOYSA-N 1 2 366.381 3.048 20 5 FGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000456174408 501469343 /nfs/dbraw/zinc/46/93/43/501469343.db2.gz XYNDPHXHIZTRHB-UHFFFAOYSA-N 1 2 370.400 3.331 20 5 FGBDLO CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602672662 506256976 /nfs/dbraw/zinc/25/69/76/506256976.db2.gz ZYPCEDJRCWSBKA-ZDUSSCGKSA-N 1 2 363.277 3.403 20 5 FGBDLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602672662 506256984 /nfs/dbraw/zinc/25/69/84/506256984.db2.gz ZYPCEDJRCWSBKA-ZDUSSCGKSA-N 1 2 363.277 3.403 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456429678 501524325 /nfs/dbraw/zinc/52/43/25/501524325.db2.gz RWPGXQNEJARIGR-RQJHMYQMSA-N 1 2 371.216 3.051 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000454527904 501570073 /nfs/dbraw/zinc/57/00/73/501570073.db2.gz VUSXHNDDOKUASR-GZMMTYOYSA-N 1 2 367.312 3.220 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454618282 501593465 /nfs/dbraw/zinc/59/34/65/501593465.db2.gz QHRUKFHVCORLAD-BBRMVZONSA-N 1 2 371.441 3.490 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000596112236 506265517 /nfs/dbraw/zinc/26/55/17/506265517.db2.gz KNJCHUROVLAXAB-LLVKDONJSA-N 1 2 364.789 3.073 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1Br ZINC000602699035 506266541 /nfs/dbraw/zinc/26/65/41/506266541.db2.gz POEWCNGGFXQOAA-VIFPVBQESA-N 1 2 361.261 3.298 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1Br ZINC000602699035 506266547 /nfs/dbraw/zinc/26/65/47/506266547.db2.gz POEWCNGGFXQOAA-VIFPVBQESA-N 1 2 361.261 3.298 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457311853 501679940 /nfs/dbraw/zinc/67/99/40/501679940.db2.gz KPLICYFGQLVECX-UHFFFAOYSA-N 1 2 354.819 3.327 20 5 FGBDLO Cc1noc(C2C[NH+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000459608768 501686090 /nfs/dbraw/zinc/68/60/90/501686090.db2.gz PRBCUDKRZAEACO-UHFFFAOYSA-N 1 2 357.395 3.009 20 5 FGBDLO CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602713161 506269653 /nfs/dbraw/zinc/26/96/53/506269653.db2.gz YYCMAEUVBFJJHG-GOSISDBHSA-N 1 2 371.437 3.075 20 5 FGBDLO CCc1cccc(F)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000474267837 501767184 /nfs/dbraw/zinc/76/71/84/501767184.db2.gz GVRIQCRFTIIPIM-UHFFFAOYSA-N 1 2 371.412 3.254 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000474277725 501772226 /nfs/dbraw/zinc/77/22/26/501772226.db2.gz UGEZJTXSCMIHRA-IBGZPJMESA-N 1 2 356.422 3.474 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000474277725 501772229 /nfs/dbraw/zinc/77/22/29/501772229.db2.gz UGEZJTXSCMIHRA-IBGZPJMESA-N 1 2 356.422 3.474 20 5 FGBDLO Cc1cc[nH+]c(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000485497840 501838299 /nfs/dbraw/zinc/83/82/99/501838299.db2.gz XZFYWPLVHNEGDG-UHFFFAOYSA-N 1 2 354.410 3.462 20 5 FGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485764575 501928298 /nfs/dbraw/zinc/92/82/98/501928298.db2.gz HGYBJCUOZZXYPN-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485764575 501928304 /nfs/dbraw/zinc/92/83/04/501928304.db2.gz HGYBJCUOZZXYPN-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccc(C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602742232 506282536 /nfs/dbraw/zinc/28/25/36/506282536.db2.gz PSTQWYPGMCCJEB-UHFFFAOYSA-N 1 2 356.325 3.439 20 5 FGBDLO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000478304575 501936609 /nfs/dbraw/zinc/93/66/09/501936609.db2.gz KACJWBGNAFSFNN-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO COC(=O)c1cc(NCc2cn3cc(C)ccc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000474792063 501954191 /nfs/dbraw/zinc/95/41/91/501954191.db2.gz RLQODGMEVLXOGU-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000461184931 502030601 /nfs/dbraw/zinc/03/06/01/502030601.db2.gz AOZYHOVVTTVDDJ-UHFFFAOYSA-N 1 2 360.439 3.195 20 5 FGBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691270 502065876 /nfs/dbraw/zinc/06/58/76/502065876.db2.gz OMCUEFBAGPIEKR-BXUZGUMPSA-N 1 2 366.311 3.020 20 5 FGBDLO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691270 502065880 /nfs/dbraw/zinc/06/58/80/502065880.db2.gz OMCUEFBAGPIEKR-BXUZGUMPSA-N 1 2 366.311 3.020 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000478767057 502080311 /nfs/dbraw/zinc/08/03/11/502080311.db2.gz OZIONNBDTZJZGV-UHFFFAOYSA-N 1 2 371.441 3.144 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000482524828 502099034 /nfs/dbraw/zinc/09/90/34/502099034.db2.gz PUYGMIWAIUFUPN-UHFFFAOYSA-N 1 2 362.474 3.344 20 5 FGBDLO O=C(C1CCCC1)N1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059080 506300949 /nfs/dbraw/zinc/30/09/49/506300949.db2.gz XHCNUSYRUJHPKX-HNNXBMFYSA-N 1 2 354.410 3.346 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000483030116 502250561 /nfs/dbraw/zinc/25/05/61/502250561.db2.gz VAKWVWADPTVHOZ-APWZRJJASA-N 1 2 369.421 3.304 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000483030116 502250565 /nfs/dbraw/zinc/25/05/65/502250565.db2.gz VAKWVWADPTVHOZ-APWZRJJASA-N 1 2 369.421 3.304 20 5 FGBDLO Cc1c(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000479464901 502267356 /nfs/dbraw/zinc/26/73/56/502267356.db2.gz PUNICYADKQDFLE-SFHVURJKSA-N 1 2 357.385 3.152 20 5 FGBDLO CCOC(=O)c1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602801422 506305686 /nfs/dbraw/zinc/30/56/86/506305686.db2.gz SQGMGKFDIVUEPI-UHFFFAOYSA-N 1 2 361.423 3.393 20 5 FGBDLO CCOC(=O)c1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602801422 506305691 /nfs/dbraw/zinc/30/56/91/506305691.db2.gz SQGMGKFDIVUEPI-UHFFFAOYSA-N 1 2 361.423 3.393 20 5 FGBDLO CCC(=O)c1ccc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000479934436 502423174 /nfs/dbraw/zinc/42/31/74/502423174.db2.gz WDIAEVPOQRZXDT-INIZCTEOSA-N 1 2 363.458 3.346 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000599081745 506315237 /nfs/dbraw/zinc/31/52/37/506315237.db2.gz LWNFWRSMVIDOJS-DGCLKSJQSA-N 1 2 355.316 3.140 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000483994603 502544397 /nfs/dbraw/zinc/54/43/97/502544397.db2.gz OEDSCILHMVPGPL-UHFFFAOYSA-N 1 2 360.320 3.478 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480560568 502603313 /nfs/dbraw/zinc/60/33/13/502603313.db2.gz XBBQFJIFIJSHLB-JSGCOSHPSA-N 1 2 373.375 3.204 20 5 FGBDLO Cc1cc(NC[C@]2(C)CCO[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000466635548 502629020 /nfs/dbraw/zinc/62/90/20/502629020.db2.gz ORFZDQPWMOFFSG-ICSRJNTNSA-N 1 2 368.437 3.399 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470015048 502631228 /nfs/dbraw/zinc/63/12/28/502631228.db2.gz JQTIGGWLFSFDIN-NSHDSACASA-N 1 2 371.224 3.288 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470015048 502631233 /nfs/dbraw/zinc/63/12/33/502631233.db2.gz JQTIGGWLFSFDIN-NSHDSACASA-N 1 2 371.224 3.288 20 5 FGBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480692378 502645173 /nfs/dbraw/zinc/64/51/73/502645173.db2.gz IBOXCUICQJGJTP-AWEZNQCLSA-N 1 2 369.347 3.220 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cccc(Br)c2)cs1 ZINC000488196645 502653613 /nfs/dbraw/zinc/65/36/13/502653613.db2.gz IYNBIKXBINFBCZ-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cccc(Br)c2)cs1 ZINC000488196645 502653618 /nfs/dbraw/zinc/65/36/18/502653618.db2.gz IYNBIKXBINFBCZ-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000470170854 502692309 /nfs/dbraw/zinc/69/23/09/502692309.db2.gz BDAZJCGQJCKDQG-PTNGSMBKSA-N 1 2 370.453 3.421 20 5 FGBDLO CCc1nsc(N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000470184125 502699734 /nfs/dbraw/zinc/69/97/34/502699734.db2.gz UAEGAAQAJVOQQN-KAMYIIQDSA-N 1 2 373.482 3.234 20 5 FGBDLO Cc1cc(NC[C@@H](CCO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467008984 502756692 /nfs/dbraw/zinc/75/66/92/502756692.db2.gz HPLNXLOIWAMXNY-HNNXBMFYSA-N 1 2 358.442 3.239 20 5 FGBDLO COc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(F)cc2)cc1 ZINC000470529493 502806544 /nfs/dbraw/zinc/80/65/44/502806544.db2.gz NSCDQXVEFGZFQB-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)n1 ZINC000489016088 502860625 /nfs/dbraw/zinc/86/06/25/502860625.db2.gz QYOMBMIDMZVEKG-UHFFFAOYSA-N 1 2 359.411 3.345 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000513204984 502877443 /nfs/dbraw/zinc/87/74/43/502877443.db2.gz KMFBSJLHTUUVBP-UHFFFAOYSA-N 1 2 363.458 3.218 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000513204984 502877444 /nfs/dbraw/zinc/87/74/44/502877444.db2.gz KMFBSJLHTUUVBP-UHFFFAOYSA-N 1 2 363.458 3.218 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000505250747 502877735 /nfs/dbraw/zinc/87/77/35/502877735.db2.gz HIRFJAPYJLJBMW-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000505250747 502877737 /nfs/dbraw/zinc/87/77/37/502877737.db2.gz HIRFJAPYJLJBMW-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513227365 502884331 /nfs/dbraw/zinc/88/43/31/502884331.db2.gz BPGBGQNJFBZCSA-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513227365 502884333 /nfs/dbraw/zinc/88/43/33/502884333.db2.gz BPGBGQNJFBZCSA-UHFFFAOYSA-N 1 2 363.458 3.216 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500900544 502889053 /nfs/dbraw/zinc/88/90/53/502889053.db2.gz WUEDIDPGQWQWKV-HNNXBMFYSA-N 1 2 360.414 3.085 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500900544 502889057 /nfs/dbraw/zinc/88/90/57/502889057.db2.gz WUEDIDPGQWQWKV-HNNXBMFYSA-N 1 2 360.414 3.085 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000500917155 502891993 /nfs/dbraw/zinc/89/19/93/502891993.db2.gz FHWOGRNFSIGKHR-UHFFFAOYSA-N 1 2 364.405 3.228 20 5 FGBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509700663 502970683 /nfs/dbraw/zinc/97/06/83/502970683.db2.gz UHMZOTZHHTUAMZ-GFCCVEGCSA-N 1 2 369.412 3.247 20 5 FGBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509700663 502970687 /nfs/dbraw/zinc/97/06/87/502970687.db2.gz UHMZOTZHHTUAMZ-GFCCVEGCSA-N 1 2 369.412 3.247 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905893 506345208 /nfs/dbraw/zinc/34/52/08/506345208.db2.gz VIMFVUPTBRSXOP-ZDUSSCGKSA-N 1 2 372.400 3.336 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513989627 503062310 /nfs/dbraw/zinc/06/23/10/503062310.db2.gz MWPMJTWBWPJRGS-QGZVFWFLSA-N 1 2 359.813 3.343 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513998379 503064257 /nfs/dbraw/zinc/06/42/57/503064257.db2.gz BIXADHSEMSXWAE-KRWDZBQOSA-N 1 2 359.813 3.343 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)cc1 ZINC000510420162 503111345 /nfs/dbraw/zinc/11/13/45/503111345.db2.gz NYOJKDCZHGTXNN-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO COc1ccc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000593040537 506353064 /nfs/dbraw/zinc/35/30/64/506353064.db2.gz HCDKEHOTOXOUIF-UHFFFAOYSA-N 1 2 367.409 3.254 20 5 FGBDLO CCCCCC(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000506592337 503139806 /nfs/dbraw/zinc/13/98/06/503139806.db2.gz GJSWIQLUYITOPH-UHFFFAOYSA-N 1 2 351.422 3.395 20 5 FGBDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602926377 506354951 /nfs/dbraw/zinc/35/49/51/506354951.db2.gz PBZXJWVCDNDWGA-OAHLLOKOSA-N 1 2 373.457 3.195 20 5 FGBDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602926377 506354957 /nfs/dbraw/zinc/35/49/57/506354957.db2.gz PBZXJWVCDNDWGA-OAHLLOKOSA-N 1 2 373.457 3.195 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c(F)c1 ZINC000510745256 503184689 /nfs/dbraw/zinc/18/46/89/503184689.db2.gz JYQKHCTYCADYTQ-UHFFFAOYSA-N 1 2 367.327 3.451 20 5 FGBDLO CCn1nccc1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510813994 503197789 /nfs/dbraw/zinc/19/77/89/503197789.db2.gz WIGIJKGQRJPSMV-UHFFFAOYSA-N 1 2 350.369 3.469 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507257605 503262538 /nfs/dbraw/zinc/26/25/38/503262538.db2.gz AQSRIAMSLDHTKB-IBGZPJMESA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507257605 503262541 /nfs/dbraw/zinc/26/25/41/503262541.db2.gz AQSRIAMSLDHTKB-IBGZPJMESA-N 1 2 369.421 3.088 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511136818 503265570 /nfs/dbraw/zinc/26/55/70/503265570.db2.gz KXXSJASNKPCNJN-CYBMUJFWSA-N 1 2 371.393 3.313 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511136818 503265575 /nfs/dbraw/zinc/26/55/75/503265575.db2.gz KXXSJASNKPCNJN-CYBMUJFWSA-N 1 2 371.393 3.313 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000507306476 503274261 /nfs/dbraw/zinc/27/42/61/503274261.db2.gz YHABZIOBIQMYGZ-LLVKDONJSA-N 1 2 360.439 3.107 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000507306476 503274263 /nfs/dbraw/zinc/27/42/63/503274263.db2.gz YHABZIOBIQMYGZ-LLVKDONJSA-N 1 2 360.439 3.107 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000507306477 503274459 /nfs/dbraw/zinc/27/44/59/503274459.db2.gz YHABZIOBIQMYGZ-NSHDSACASA-N 1 2 360.439 3.107 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000507306477 503274461 /nfs/dbraw/zinc/27/44/61/503274461.db2.gz YHABZIOBIQMYGZ-NSHDSACASA-N 1 2 360.439 3.107 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Cc4nccs4)CC3)nc2c1 ZINC000602954854 506365670 /nfs/dbraw/zinc/36/56/70/506365670.db2.gz JHVDPCMIATYRAM-UHFFFAOYSA-N 1 2 357.439 3.382 20 5 FGBDLO COc1ccc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000515586029 503368727 /nfs/dbraw/zinc/36/87/27/503368727.db2.gz CASSVLQMLYYQCO-UHFFFAOYSA-N 1 2 364.405 3.445 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457036 503409799 /nfs/dbraw/zinc/40/97/99/503409799.db2.gz MKHCXIWEFFOVQG-KBPBESRZSA-N 1 2 359.451 3.391 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457036 503409803 /nfs/dbraw/zinc/40/98/03/503409803.db2.gz MKHCXIWEFFOVQG-KBPBESRZSA-N 1 2 359.451 3.391 20 5 FGBDLO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493175066 503410752 /nfs/dbraw/zinc/41/07/52/503410752.db2.gz KOJWIQORQPTKEE-GOSISDBHSA-N 1 2 368.368 3.248 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000515903560 503418430 /nfs/dbraw/zinc/41/84/30/503418430.db2.gz TWCZRYDUASYHDR-OAHLLOKOSA-N 1 2 370.413 3.063 20 5 FGBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000508280622 503467579 /nfs/dbraw/zinc/46/75/79/503467579.db2.gz TXJKFVAIDCDVHI-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508486330 503503652 /nfs/dbraw/zinc/50/36/52/503503652.db2.gz CSIHVHBHBSYGAG-UHFFFAOYSA-N 1 2 353.382 3.245 20 5 FGBDLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CCC2)n1 ZINC000494805980 503613730 /nfs/dbraw/zinc/61/37/30/503613730.db2.gz XOFXDUACGOQZIT-UHFFFAOYSA-N 1 2 360.439 3.276 20 5 FGBDLO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500414618 503618758 /nfs/dbraw/zinc/61/87/58/503618758.db2.gz LWRHCBKPNOVOPN-UHFFFAOYSA-N 1 2 373.372 3.062 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000540116912 503677279 /nfs/dbraw/zinc/67/72/79/503677279.db2.gz JLOVYVZTLGSGJJ-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO CCc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000527323875 503765141 /nfs/dbraw/zinc/76/51/41/503765141.db2.gz PUPHTLLKRLOSPL-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO C[N@H+](Cc1ccccc1Cl)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533221977 503766063 /nfs/dbraw/zinc/76/60/63/503766063.db2.gz QVLXRWZKVBMLKM-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533221977 503766068 /nfs/dbraw/zinc/76/60/68/503766068.db2.gz QVLXRWZKVBMLKM-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC000527510545 503817907 /nfs/dbraw/zinc/81/79/07/503817907.db2.gz JLKHTOYJIMRJBB-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC000527510545 503817912 /nfs/dbraw/zinc/81/79/12/503817912.db2.gz JLKHTOYJIMRJBB-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO CCc1cc(NC[C@@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537822969 504054463 /nfs/dbraw/zinc/05/44/63/504054463.db2.gz MXTBBVWXGVTZSS-ZIAGYGMSSA-N 1 2 356.426 3.263 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H]1CCCc2ccccc21 ZINC000534512073 504161265 /nfs/dbraw/zinc/16/12/65/504161265.db2.gz PTBMJZDWFLTYCW-LJQANCHMSA-N 1 2 365.433 3.147 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H]1CCCc2ccccc21 ZINC000534512073 504161271 /nfs/dbraw/zinc/16/12/71/504161271.db2.gz PTBMJZDWFLTYCW-LJQANCHMSA-N 1 2 365.433 3.147 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000534915882 504279221 /nfs/dbraw/zinc/27/92/21/504279221.db2.gz YVCVPZXLRUMLGK-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000534915882 504279224 /nfs/dbraw/zinc/27/92/24/504279224.db2.gz YVCVPZXLRUMLGK-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO CCc1cc(NC[C@H](O)C(CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519732908 504319671 /nfs/dbraw/zinc/31/96/71/504319671.db2.gz YHVRVJQLEJWFMO-KRWDZBQOSA-N 1 2 358.442 3.245 20 5 FGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541982410 504322554 /nfs/dbraw/zinc/32/25/54/504322554.db2.gz ZULGHFCIHHCZJX-QGZVFWFLSA-N 1 2 369.377 3.082 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3ccsc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000535070787 504334466 /nfs/dbraw/zinc/33/44/66/504334466.db2.gz DIKTVTGQYLCNDA-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542070012 504355672 /nfs/dbraw/zinc/35/56/72/504355672.db2.gz SZERNRQOBDLVAD-MRXNPFEDSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542070012 504355676 /nfs/dbraw/zinc/35/56/76/504355676.db2.gz SZERNRQOBDLVAD-MRXNPFEDSA-N 1 2 373.384 3.346 20 5 FGBDLO CCc1cc(NCCc2nc(C)oc2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000535377666 504418851 /nfs/dbraw/zinc/41/88/51/504418851.db2.gz WCENPJHQZRUCJV-UHFFFAOYSA-N 1 2 367.409 3.296 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000542540102 504533308 /nfs/dbraw/zinc/53/33/08/504533308.db2.gz XIASQCOETDJBRZ-QGZVFWFLSA-N 1 2 355.398 3.133 20 5 FGBDLO O=c1[nH]c2ccccc2n1CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536003000 504603553 /nfs/dbraw/zinc/60/35/53/504603553.db2.gz MHKNMNREJOAHKZ-UHFFFAOYSA-N 1 2 352.394 3.099 20 5 FGBDLO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536003000 504603559 /nfs/dbraw/zinc/60/35/59/504603559.db2.gz MHKNMNREJOAHKZ-UHFFFAOYSA-N 1 2 352.394 3.099 20 5 FGBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397778 504635696 /nfs/dbraw/zinc/63/56/96/504635696.db2.gz PRVRXRJJLUTGIB-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000559072901 504775152 /nfs/dbraw/zinc/77/51/52/504775152.db2.gz CYYIITQPBSLIGH-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000559072901 504775154 /nfs/dbraw/zinc/77/51/54/504775154.db2.gz CYYIITQPBSLIGH-UHFFFAOYSA-N 1 2 363.421 3.351 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000559302657 504826264 /nfs/dbraw/zinc/82/62/64/504826264.db2.gz QTCNEJPNYLVMHZ-CYBMUJFWSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000559302657 504826268 /nfs/dbraw/zinc/82/62/68/504826268.db2.gz QTCNEJPNYLVMHZ-CYBMUJFWSA-N 1 2 373.384 3.171 20 5 FGBDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549582614 504854023 /nfs/dbraw/zinc/85/40/23/504854023.db2.gz LMTKNMZODMKJHW-OLZOCXBDSA-N 1 2 373.375 3.221 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1Cc1ccccc1 ZINC000549828939 504909898 /nfs/dbraw/zinc/90/98/98/504909898.db2.gz RVTLBEAAXVQYHN-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1Cc1ccccc1 ZINC000549828939 504909900 /nfs/dbraw/zinc/90/99/00/504909900.db2.gz RVTLBEAAXVQYHN-SFHVURJKSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553890768 505035229 /nfs/dbraw/zinc/03/52/29/505035229.db2.gz ZEEMCCBZWQXYCG-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553890768 505035233 /nfs/dbraw/zinc/03/52/33/505035233.db2.gz ZEEMCCBZWQXYCG-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000557020352 505045802 /nfs/dbraw/zinc/04/58/02/505045802.db2.gz XJCKHOBBZRZGGF-UHFFFAOYSA-N 1 2 351.366 3.095 20 5 FGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563190299 505070648 /nfs/dbraw/zinc/07/06/48/505070648.db2.gz MYXUMPQUNBBOFM-ZWKOTPCHSA-N 1 2 371.462 3.104 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000557399289 505126039 /nfs/dbraw/zinc/12/60/39/505126039.db2.gz LMNOPIZRLLMWKW-OAHLLOKOSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000557399289 505126042 /nfs/dbraw/zinc/12/60/42/505126042.db2.gz LMNOPIZRLLMWKW-OAHLLOKOSA-N 1 2 357.385 3.470 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845827 505279360 /nfs/dbraw/zinc/27/93/60/505279360.db2.gz FAFFFIJCBHWKPO-AWEZNQCLSA-N 1 2 371.437 3.488 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845827 505279365 /nfs/dbraw/zinc/27/93/65/505279365.db2.gz FAFFFIJCBHWKPO-AWEZNQCLSA-N 1 2 371.437 3.488 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555314855 505405806 /nfs/dbraw/zinc/40/58/06/505405806.db2.gz QRMJTHLVGYYRQH-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000555417600 505428242 /nfs/dbraw/zinc/42/82/42/505428242.db2.gz CDUZWLBWKOLALR-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000555417600 505428247 /nfs/dbraw/zinc/42/82/47/505428247.db2.gz CDUZWLBWKOLALR-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO COc1ccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000555420632 505428885 /nfs/dbraw/zinc/42/88/85/505428885.db2.gz NNNZNNXJHXWBAH-HXUWFJFHSA-N 1 2 374.437 3.328 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000555420632 505428887 /nfs/dbraw/zinc/42/88/87/505428887.db2.gz NNNZNNXJHXWBAH-HXUWFJFHSA-N 1 2 374.437 3.328 20 5 FGBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000552617499 505523053 /nfs/dbraw/zinc/52/30/53/505523053.db2.gz PUUNCYFONGEZIX-AWEZNQCLSA-N 1 2 368.393 3.133 20 5 FGBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000552617499 505523055 /nfs/dbraw/zinc/52/30/55/505523055.db2.gz PUUNCYFONGEZIX-AWEZNQCLSA-N 1 2 368.393 3.133 20 5 FGBDLO Cc1cc(NCc2c(C3CC3)cnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596473574 506424619 /nfs/dbraw/zinc/42/46/19/506424619.db2.gz GIXHHZBQVSRZMK-UHFFFAOYSA-N 1 2 364.409 3.005 20 5 FGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000589197739 506479523 /nfs/dbraw/zinc/47/95/23/506479523.db2.gz OLDWWURZTHKOJR-UHFFFAOYSA-N 1 2 370.308 3.256 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513236 506480597 /nfs/dbraw/zinc/48/05/97/506480597.db2.gz RCICRQXQKJUUOL-UTUOFQBUSA-N 1 2 371.384 3.154 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CC2(F)F)CC1 ZINC000593300972 506524589 /nfs/dbraw/zinc/52/45/89/506524589.db2.gz VSRVKUAEJRRDCG-UHFFFAOYSA-N 1 2 362.336 3.042 20 5 FGBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599666654 506566084 /nfs/dbraw/zinc/56/60/84/506566084.db2.gz OJOHMBDVMKYFPJ-OAHLLOKOSA-N 1 2 374.368 3.015 20 5 FGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599666654 506566087 /nfs/dbraw/zinc/56/60/87/506566087.db2.gz OJOHMBDVMKYFPJ-OAHLLOKOSA-N 1 2 374.368 3.015 20 5 FGBDLO CCOc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000589520614 506577396 /nfs/dbraw/zinc/57/73/96/506577396.db2.gz JNSHVDHRLPJLNG-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO CCOc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000589520614 506577404 /nfs/dbraw/zinc/57/74/04/506577404.db2.gz JNSHVDHRLPJLNG-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000583149764 506617014 /nfs/dbraw/zinc/61/70/14/506617014.db2.gz DTYSRUQTYBXWDO-SFHVURJKSA-N 1 2 351.410 3.415 20 5 FGBDLO CC(C)[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000583192390 506641518 /nfs/dbraw/zinc/64/15/18/506641518.db2.gz IQLAALZFDMPTID-OAHLLOKOSA-N 1 2 368.397 3.092 20 5 FGBDLO Cc1cc(NCc2nn(C)c3ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000612667027 506681163 /nfs/dbraw/zinc/68/11/63/506681163.db2.gz UCPGNSIFPIOPAB-UHFFFAOYSA-N 1 2 374.404 3.281 20 5 FGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000583285499 506695996 /nfs/dbraw/zinc/69/59/96/506695996.db2.gz AZGOWCMTJGFAGB-UHFFFAOYSA-N 1 2 361.361 3.396 20 5 FGBDLO Cc1cccc2[nH]c(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc21 ZINC000597149791 506799129 /nfs/dbraw/zinc/79/91/29/506799129.db2.gz PRHBGYFFSHFKNY-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO CSc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000604481555 506845632 /nfs/dbraw/zinc/84/56/32/506845632.db2.gz AXUUIYFGRWJMFR-UHFFFAOYSA-N 1 2 357.435 3.062 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609322726 506850878 /nfs/dbraw/zinc/85/08/78/506850878.db2.gz JJMROIIEMITUHG-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609322726 506850883 /nfs/dbraw/zinc/85/08/83/506850883.db2.gz JJMROIIEMITUHG-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO CCN(CCC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604523888 506860959 /nfs/dbraw/zinc/86/09/59/506860959.db2.gz AVFBQMVAPAPVGQ-UHFFFAOYSA-N 1 2 356.304 3.195 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000609441236 506881193 /nfs/dbraw/zinc/88/11/93/506881193.db2.gz AIWIDNMRUNMDTF-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057264 506911053 /nfs/dbraw/zinc/91/10/53/506911053.db2.gz BQFGONAKGPQYME-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057264 506911059 /nfs/dbraw/zinc/91/10/59/506911059.db2.gz BQFGONAKGPQYME-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057482 506911871 /nfs/dbraw/zinc/91/18/71/506911871.db2.gz FUNRNTJFKNZNKF-LSDHHAIUSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057482 506911881 /nfs/dbraw/zinc/91/18/81/506911881.db2.gz FUNRNTJFKNZNKF-LSDHHAIUSA-N 1 2 361.442 3.345 20 5 FGBDLO CC(C)n1cc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000609568079 506924840 /nfs/dbraw/zinc/92/48/40/506924840.db2.gz YDOSLPBUJMBHCA-CYBMUJFWSA-N 1 2 368.397 3.049 20 5 FGBDLO COc1ccc(CSCC(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609623256 506950673 /nfs/dbraw/zinc/95/06/73/506950673.db2.gz ZJJURMXKPYKPDE-UHFFFAOYSA-N 1 2 372.406 3.123 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000610099721 507099381 /nfs/dbraw/zinc/09/93/81/507099381.db2.gz ILPDBBXPVSAAJI-UHFFFAOYSA-N 1 2 367.409 3.065 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1 ZINC000610273968 507171938 /nfs/dbraw/zinc/17/19/38/507171938.db2.gz NCNUIOBFQRBMRU-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940238 507188306 /nfs/dbraw/zinc/18/83/06/507188306.db2.gz GAHRYWKGZOISNR-UHFFFAOYSA-N 1 2 374.828 3.102 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597940292 507188919 /nfs/dbraw/zinc/18/89/19/507188919.db2.gz HTFCRZAKYZKCKF-UHFFFAOYSA-N 1 2 354.410 3.082 20 5 FGBDLO CC(C)(C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000597943580 507190845 /nfs/dbraw/zinc/19/08/45/507190845.db2.gz MVVMKACQJZYNCM-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148619 507276882 /nfs/dbraw/zinc/27/68/82/507276882.db2.gz FOXBHUPGOAJDFV-INIZCTEOSA-N 1 2 365.227 3.355 20 5 FGBDLO Cn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000601148391 507276899 /nfs/dbraw/zinc/27/68/99/507276899.db2.gz BDJYDCJHQOIAFA-SFHVURJKSA-N 1 2 374.828 3.132 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ccsc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149575 507277168 /nfs/dbraw/zinc/27/71/68/507277168.db2.gz OHCGJWXFMZRGLW-CQSZACIVSA-N 1 2 371.256 3.416 20 5 FGBDLO COCc1csc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000595077073 507381469 /nfs/dbraw/zinc/38/14/69/507381469.db2.gz LNJCYSNWQJRWQQ-QGZVFWFLSA-N 1 2 372.450 3.415 20 5 FGBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000601554492 507385878 /nfs/dbraw/zinc/38/58/78/507385878.db2.gz FDYIGYGGMDXCRI-ZDUSSCGKSA-N 1 2 372.400 3.287 20 5 FGBDLO CC(C)(C)C(F)(F)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598464240 507436256 /nfs/dbraw/zinc/43/62/56/507436256.db2.gz CNLVKEBEFNJRCK-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595355119 507469127 /nfs/dbraw/zinc/46/91/27/507469127.db2.gz SFPWGKJYIBZUBA-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595355119 507469134 /nfs/dbraw/zinc/46/91/34/507469134.db2.gz SFPWGKJYIBZUBA-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO COc1ncccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132961 507497943 /nfs/dbraw/zinc/49/79/43/507497943.db2.gz QFGHAEVAGHROCS-IYARVYRRSA-N 1 2 371.437 3.304 20 5 FGBDLO COc1ncccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132961 507497950 /nfs/dbraw/zinc/49/79/50/507497950.db2.gz QFGHAEVAGHROCS-IYARVYRRSA-N 1 2 371.437 3.304 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCCC2)O1 ZINC000592189836 507531779 /nfs/dbraw/zinc/53/17/79/507531779.db2.gz XKTHPPDMMCYCKF-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCCC2)O1 ZINC000592189836 507531783 /nfs/dbraw/zinc/53/17/83/507531783.db2.gz XKTHPPDMMCYCKF-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO CSc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000611230912 507572451 /nfs/dbraw/zinc/57/24/51/507572451.db2.gz GEYIWTHOTLNYIN-UHFFFAOYSA-N 1 2 355.379 3.150 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cc[nH+]cc2F)CC1 ZINC000611399049 507662984 /nfs/dbraw/zinc/66/29/84/507662984.db2.gz JHDJEYGARUSWNA-UHFFFAOYSA-N 1 2 370.306 3.474 20 5 FGBDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595758298 507669502 /nfs/dbraw/zinc/66/95/02/507669502.db2.gz HQEFTIBCFXQLHO-OAHLLOKOSA-N 1 2 364.833 3.297 20 5 FGBDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595758298 507669505 /nfs/dbraw/zinc/66/95/05/507669505.db2.gz HQEFTIBCFXQLHO-OAHLLOKOSA-N 1 2 364.833 3.297 20 5 FGBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450527 507714785 /nfs/dbraw/zinc/71/47/85/507714785.db2.gz XNDQWVOGDRMNFN-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450527 507714787 /nfs/dbraw/zinc/71/47/87/507714787.db2.gz XNDQWVOGDRMNFN-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889960 507730588 /nfs/dbraw/zinc/73/05/88/507730588.db2.gz JZFNEODUFBWBGE-DOMZBBRYSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889960 507730594 /nfs/dbraw/zinc/73/05/94/507730594.db2.gz JZFNEODUFBWBGE-DOMZBBRYSA-N 1 2 362.348 3.405 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000616362976 714582317 /nfs/dbraw/zinc/58/23/17/714582317.db2.gz MJBKZJUSBYLXHM-CABCVRRESA-N 1 2 358.316 3.352 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ncccc3C(F)(F)F)nc2c1 ZINC000618618907 714762191 /nfs/dbraw/zinc/76/21/91/714762191.db2.gz KCOYDESQDFCZMU-UHFFFAOYSA-N 1 2 351.288 3.175 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000790267314 723119769 /nfs/dbraw/zinc/11/97/69/723119769.db2.gz VPVOAJNFNKUGSI-LLVKDONJSA-N 1 2 364.789 3.073 20 5 FGBDLO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558308 723258654 /nfs/dbraw/zinc/25/86/54/723258654.db2.gz RNMLEFLBYGFPLM-BDJLRTHQSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558308 723258658 /nfs/dbraw/zinc/25/86/58/723258658.db2.gz RNMLEFLBYGFPLM-BDJLRTHQSA-N 1 2 355.822 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765488963 723516885 /nfs/dbraw/zinc/51/68/85/723516885.db2.gz AIIZIPJCVPUCOM-GFCCVEGCSA-N 1 2 351.204 3.395 20 5 FGBDLO Cc1nsc(C)c1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000797279107 723802055 /nfs/dbraw/zinc/80/20/55/723802055.db2.gz JBFLXTIRGLEQSI-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO Cc1nsc(C)c1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000797279107 723802059 /nfs/dbraw/zinc/80/20/59/723802059.db2.gz JBFLXTIRGLEQSI-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146720 723964056 /nfs/dbraw/zinc/96/40/56/723964056.db2.gz PZGRDTBYFKKCGW-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146720 723964058 /nfs/dbraw/zinc/96/40/58/723964058.db2.gz PZGRDTBYFKKCGW-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000777059607 724211206 /nfs/dbraw/zinc/21/12/06/724211206.db2.gz SETNHWDUNPUFBW-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317375 727063873 /nfs/dbraw/zinc/06/38/73/727063873.db2.gz CSCJWIHDNVGVEC-LRDDRELGSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317375 727063881 /nfs/dbraw/zinc/06/38/81/727063881.db2.gz CSCJWIHDNVGVEC-LRDDRELGSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543870 729649844 /nfs/dbraw/zinc/64/98/44/729649844.db2.gz PRQLJHKIGAVXAS-IAQYHMDHSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543870 729649846 /nfs/dbraw/zinc/64/98/46/729649846.db2.gz PRQLJHKIGAVXAS-IAQYHMDHSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000844378954 730710154 /nfs/dbraw/zinc/71/01/54/730710154.db2.gz NPVJZBIAIUOTMM-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000844378954 730710156 /nfs/dbraw/zinc/71/01/56/730710156.db2.gz NPVJZBIAIUOTMM-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO Cn1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c(Cl)n1 ZINC000883288242 737547459 /nfs/dbraw/zinc/54/74/59/737547459.db2.gz XEJJHYLHOBIBJG-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1OC(F)F ZINC000885946572 739202447 /nfs/dbraw/zinc/20/24/47/739202447.db2.gz MEGFGXXSAWMQTL-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1OC(F)F ZINC000885946572 739202448 /nfs/dbraw/zinc/20/24/48/739202448.db2.gz MEGFGXXSAWMQTL-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO CC[C@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000892965595 740063819 /nfs/dbraw/zinc/06/38/19/740063819.db2.gz KOCHHPFKZOFSME-INIZCTEOSA-N 1 2 351.428 3.489 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895011469 742364633 /nfs/dbraw/zinc/36/46/33/742364633.db2.gz JENDDSJQSCVQQX-LLVKDONJSA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895011469 742364639 /nfs/dbraw/zinc/36/46/39/742364639.db2.gz JENDDSJQSCVQQX-LLVKDONJSA-N 1 2 355.320 3.030 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2cccc(Br)c2[N+](=O)[O-])n1 ZINC000895480326 742417653 /nfs/dbraw/zinc/41/76/53/742417653.db2.gz GYRIQHMWOLLFIE-UHFFFAOYSA-N 1 2 371.260 3.488 20 5 FGBDLO CC(C)C[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000913386264 757507121 /nfs/dbraw/zinc/50/71/21/757507121.db2.gz SBTMRGZHGFFJNO-AWEZNQCLSA-N 1 2 368.796 3.487 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cn1nccc1[N+](=O)[O-] ZINC000919953954 758493513 /nfs/dbraw/zinc/49/35/13/758493513.db2.gz QQOUNXUBRJWCQV-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)[N@H+](Cc1ccc(Br)cc1)Cn1nccc1[N+](=O)[O-] ZINC000919953954 758493517 /nfs/dbraw/zinc/49/35/17/758493517.db2.gz QQOUNXUBRJWCQV-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)Oc1nc(NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000567915282 505574005 /nfs/dbraw/zinc/57/40/05/505574005.db2.gz MYDHKZUSGBUEGP-UHFFFAOYSA-N 1 2 361.789 3.112 20 5 FGBDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000576719814 505578366 /nfs/dbraw/zinc/57/83/66/505578366.db2.gz PEXDHSICOKIEOE-UHFFFAOYSA-N 1 2 359.348 3.199 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000568101453 505616819 /nfs/dbraw/zinc/61/68/19/505616819.db2.gz ZDMKKCUQSYJCNP-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000568101453 505616820 /nfs/dbraw/zinc/61/68/20/505616820.db2.gz ZDMKKCUQSYJCNP-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000081929775 493966931 /nfs/dbraw/zinc/96/69/31/493966931.db2.gz ICCIFPWRVGPIIQ-UHFFFAOYSA-N 1 2 356.407 3.026 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COCc2cccs2)cc1 ZINC000051451897 493970561 /nfs/dbraw/zinc/97/05/61/493970561.db2.gz VTQGVKCYGNSWPT-HNNXBMFYSA-N 1 2 359.407 3.098 20 5 FGBDLO COc1ccc(C)cc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032164331 493976879 /nfs/dbraw/zinc/97/68/79/493976879.db2.gz VAEVDVRATBROFW-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000052129759 494006193 /nfs/dbraw/zinc/00/61/93/494006193.db2.gz WDZZVZZEWGGVRW-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033323957 494057966 /nfs/dbraw/zinc/05/79/66/494057966.db2.gz BHJQZKDVSRCJAS-DAXSKMNVSA-N 1 2 353.422 3.131 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000008120063 494069237 /nfs/dbraw/zinc/06/92/37/494069237.db2.gz PCJADYWNEMWASZ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000008120063 494069241 /nfs/dbraw/zinc/06/92/41/494069241.db2.gz PCJADYWNEMWASZ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008120074 494069517 /nfs/dbraw/zinc/06/95/17/494069517.db2.gz ANNCMLFWXPRASY-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008120074 494069521 /nfs/dbraw/zinc/06/95/21/494069521.db2.gz ANNCMLFWXPRASY-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000008120500 494069637 /nfs/dbraw/zinc/06/96/37/494069637.db2.gz KIVHXFKGDYHABO-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000008120500 494069640 /nfs/dbraw/zinc/06/96/40/494069640.db2.gz KIVHXFKGDYHABO-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053125149 494096279 /nfs/dbraw/zinc/09/62/79/494096279.db2.gz QXAQQDVBPCLMMQ-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053125149 494096284 /nfs/dbraw/zinc/09/62/84/494096284.db2.gz QXAQQDVBPCLMMQ-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO Cc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000065573480 494215316 /nfs/dbraw/zinc/21/53/16/494215316.db2.gz DDULHILEZANPDL-UHFFFAOYSA-N 1 2 364.405 3.370 20 5 FGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000042377030 494220014 /nfs/dbraw/zinc/22/00/14/494220014.db2.gz PTLSKSXAXWOJDW-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000043148203 494270374 /nfs/dbraw/zinc/27/03/74/494270374.db2.gz QMXGYMZPQNOWFC-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000574180675 505714004 /nfs/dbraw/zinc/71/40/04/505714004.db2.gz HAZYEPDDMWVCHF-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000574180675 505714008 /nfs/dbraw/zinc/71/40/08/505714008.db2.gz HAZYEPDDMWVCHF-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC000044380490 494354401 /nfs/dbraw/zinc/35/44/01/494354401.db2.gz SZEGOUDLMUPVFW-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000015549084 494358716 /nfs/dbraw/zinc/35/87/16/494358716.db2.gz CEWJEUIOJDXOIF-ZDUSSCGKSA-N 1 2 373.409 3.244 20 5 FGBDLO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000015549084 494358722 /nfs/dbraw/zinc/35/87/22/494358722.db2.gz CEWJEUIOJDXOIF-ZDUSSCGKSA-N 1 2 373.409 3.244 20 5 FGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089933735 494405591 /nfs/dbraw/zinc/40/55/91/494405591.db2.gz WARRQBVJGUVWAV-KRWDZBQOSA-N 1 2 367.409 3.493 20 5 FGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089933735 494405596 /nfs/dbraw/zinc/40/55/96/494405596.db2.gz WARRQBVJGUVWAV-KRWDZBQOSA-N 1 2 367.409 3.493 20 5 FGBDLO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070846 494436724 /nfs/dbraw/zinc/43/67/24/494436724.db2.gz OQHDLDWCZAKRHH-UHFFFAOYSA-N 1 2 369.469 3.096 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000045792937 494462986 /nfs/dbraw/zinc/46/29/86/494462986.db2.gz MKROHZXPSINTPD-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895586 494589337 /nfs/dbraw/zinc/58/93/37/494589337.db2.gz CCYCYBIBARIVOY-UHFFFAOYSA-N 1 2 365.393 3.122 20 5 FGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000057128051 494649646 /nfs/dbraw/zinc/64/96/46/494649646.db2.gz NQKARJDEPZIQHQ-CQSZACIVSA-N 1 2 351.403 3.281 20 5 FGBDLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406881 494699546 /nfs/dbraw/zinc/69/95/46/494699546.db2.gz XAUCNVFXKXVBOZ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406881 494699553 /nfs/dbraw/zinc/69/95/53/494699553.db2.gz XAUCNVFXKXVBOZ-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cn1c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000131834212 494747480 /nfs/dbraw/zinc/74/74/80/494747480.db2.gz NUZBXFQWKCWIKD-UHFFFAOYSA-N 1 2 372.406 3.160 20 5 FGBDLO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026346537 494820394 /nfs/dbraw/zinc/82/03/94/494820394.db2.gz URFJERRLPPBBLJ-SFHVURJKSA-N 1 2 353.422 3.220 20 5 FGBDLO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026346537 494820397 /nfs/dbraw/zinc/82/03/97/494820397.db2.gz URFJERRLPPBBLJ-SFHVURJKSA-N 1 2 353.422 3.220 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116601976 494823257 /nfs/dbraw/zinc/82/32/57/494823257.db2.gz XZIPJJCGDZNNMV-UHFFFAOYSA-N 1 2 372.406 3.144 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000121700945 494841508 /nfs/dbraw/zinc/84/15/08/494841508.db2.gz PADJOFDAASUHSO-IBGZPJMESA-N 1 2 353.378 3.484 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000121700945 494841512 /nfs/dbraw/zinc/84/15/12/494841512.db2.gz PADJOFDAASUHSO-IBGZPJMESA-N 1 2 353.378 3.484 20 5 FGBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000093414042 494889265 /nfs/dbraw/zinc/88/92/65/494889265.db2.gz GFZYTJVSJNPDNU-CQSZACIVSA-N 1 2 356.488 3.363 20 5 FGBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000093414042 494889267 /nfs/dbraw/zinc/88/92/67/494889267.db2.gz GFZYTJVSJNPDNU-CQSZACIVSA-N 1 2 356.488 3.363 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000127155200 494901592 /nfs/dbraw/zinc/90/15/92/494901592.db2.gz VEQSTLUHDCASEL-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093841176 494925740 /nfs/dbraw/zinc/92/57/40/494925740.db2.gz PZYOTJIWYICDSQ-SFHVURJKSA-N 1 2 368.393 3.162 20 5 FGBDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093841176 494925744 /nfs/dbraw/zinc/92/57/44/494925744.db2.gz PZYOTJIWYICDSQ-SFHVURJKSA-N 1 2 368.393 3.162 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[nH+]c12 ZINC000109881785 494929441 /nfs/dbraw/zinc/92/94/41/494929441.db2.gz ILFHMZVGBCEKTO-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccsc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132860081 494934143 /nfs/dbraw/zinc/93/41/43/494934143.db2.gz MCJUXMSSRSWHLV-UHFFFAOYSA-N 1 2 351.815 3.307 20 5 FGBDLO O=C(C[N@H+]1CCc2ccsc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132860081 494934146 /nfs/dbraw/zinc/93/41/46/494934146.db2.gz MCJUXMSSRSWHLV-UHFFFAOYSA-N 1 2 351.815 3.307 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000122368311 494964208 /nfs/dbraw/zinc/96/42/08/494964208.db2.gz GMYORSUDPBKYPX-MRXNPFEDSA-N 1 2 353.382 3.096 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000571503448 505748479 /nfs/dbraw/zinc/74/84/79/505748479.db2.gz UBKSBJDGSCUQPR-OAHLLOKOSA-N 1 2 372.425 3.116 20 5 FGBDLO Cc1nc(C[N@@H+]2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cs1 ZINC000110565935 494989762 /nfs/dbraw/zinc/98/97/62/494989762.db2.gz HBRDDHJCDAFTEV-UHFFFAOYSA-N 1 2 350.419 3.211 20 5 FGBDLO Cc1nc(C[N@H+]2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cs1 ZINC000110565935 494989766 /nfs/dbraw/zinc/98/97/66/494989766.db2.gz HBRDDHJCDAFTEV-UHFFFAOYSA-N 1 2 350.419 3.211 20 5 FGBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000118849090 495047812 /nfs/dbraw/zinc/04/78/12/495047812.db2.gz HQTICVDAZXYSFM-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000128534962 495112297 /nfs/dbraw/zinc/11/22/97/495112297.db2.gz XAORKZJVWYLYFQ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000128534962 495112299 /nfs/dbraw/zinc/11/22/99/495112299.db2.gz XAORKZJVWYLYFQ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000128919347 495168506 /nfs/dbraw/zinc/16/85/06/495168506.db2.gz TWGKLUVZNNPJHE-UHFFFAOYSA-N 1 2 360.345 3.430 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112670980 495220452 /nfs/dbraw/zinc/22/04/52/495220452.db2.gz PAABSOBSFSDUOT-UHFFFAOYSA-N 1 2 374.466 3.372 20 5 FGBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124789359 495344110 /nfs/dbraw/zinc/34/41/10/495344110.db2.gz UCFVEWWQIBHSRC-HNNXBMFYSA-N 1 2 360.366 3.001 20 5 FGBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124789359 495344111 /nfs/dbraw/zinc/34/41/11/495344111.db2.gz UCFVEWWQIBHSRC-HNNXBMFYSA-N 1 2 360.366 3.001 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCc1ccc(F)cc1 ZINC000130513763 495404512 /nfs/dbraw/zinc/40/45/12/495404512.db2.gz VTKRZENIUZQETP-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCc1ccc(F)cc1 ZINC000130513763 495404517 /nfs/dbraw/zinc/40/45/17/495404517.db2.gz VTKRZENIUZQETP-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000173473564 495547291 /nfs/dbraw/zinc/54/72/91/495547291.db2.gz JVKSOMFBZIHRDM-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000173473564 495547295 /nfs/dbraw/zinc/54/72/95/495547295.db2.gz JVKSOMFBZIHRDM-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000182600019 495631059 /nfs/dbraw/zinc/63/10/59/495631059.db2.gz FJRUDBRDBFECAO-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000182667123 495655935 /nfs/dbraw/zinc/65/59/35/495655935.db2.gz YRRXHHGDXDGZRT-LLVKDONJSA-N 1 2 368.224 3.378 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000182667123 495655942 /nfs/dbraw/zinc/65/59/42/495655942.db2.gz YRRXHHGDXDGZRT-LLVKDONJSA-N 1 2 368.224 3.378 20 5 FGBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nnc2ccccn21 ZINC000182685653 495663643 /nfs/dbraw/zinc/66/36/43/495663643.db2.gz QPYGRERXEQQERM-GFCCVEGCSA-N 1 2 364.365 3.143 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000182864640 495732800 /nfs/dbraw/zinc/73/28/00/495732800.db2.gz XRUTWZIMGNTBNW-UHFFFAOYSA-N 1 2 357.414 3.350 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176798590 495788304 /nfs/dbraw/zinc/78/83/04/495788304.db2.gz SUCLBYSFMITOFS-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176801060 495789529 /nfs/dbraw/zinc/78/95/29/495789529.db2.gz JEOQPHGWDWDPCE-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000159883011 495831991 /nfs/dbraw/zinc/83/19/91/495831991.db2.gz CIBMQGMTCRVULS-VQHVLOKHSA-N 1 2 364.405 3.367 20 5 FGBDLO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000159883011 495831997 /nfs/dbraw/zinc/83/19/97/495831997.db2.gz CIBMQGMTCRVULS-VQHVLOKHSA-N 1 2 364.405 3.367 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160009713 495862064 /nfs/dbraw/zinc/86/20/64/495862064.db2.gz COEDXUDJJNWSIA-NSHDSACASA-N 1 2 361.789 3.044 20 5 FGBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000174565847 496012528 /nfs/dbraw/zinc/01/25/28/496012528.db2.gz LBYFQJJTPVVOJU-NSHDSACASA-N 1 2 362.357 3.460 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000155696225 496038858 /nfs/dbraw/zinc/03/88/58/496038858.db2.gz OOTRURVRFQMTIS-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)c(F)c1 ZINC000155696225 496038863 /nfs/dbraw/zinc/03/88/63/496038863.db2.gz OOTRURVRFQMTIS-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177383632 496040903 /nfs/dbraw/zinc/04/09/03/496040903.db2.gz GEYYIBWMKZVVBT-CQSZACIVSA-N 1 2 369.849 3.324 20 5 FGBDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177383632 496040907 /nfs/dbraw/zinc/04/09/07/496040907.db2.gz GEYYIBWMKZVVBT-CQSZACIVSA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000155803450 496073252 /nfs/dbraw/zinc/07/32/52/496073252.db2.gz ORSYHDNGGNHHKB-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000161147978 496113737 /nfs/dbraw/zinc/11/37/37/496113737.db2.gz IJWQKLWXDWUPHZ-ZYHUDNBSSA-N 1 2 364.427 3.128 20 5 FGBDLO CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177834117 496215180 /nfs/dbraw/zinc/21/51/80/496215180.db2.gz PNZRKPNTTYAPPF-MRXNPFEDSA-N 1 2 372.425 3.058 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000178002564 496283876 /nfs/dbraw/zinc/28/38/76/496283876.db2.gz FSPYAHJNUBZGNJ-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000178002564 496283883 /nfs/dbraw/zinc/28/38/83/496283883.db2.gz FSPYAHJNUBZGNJ-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175245623 496307003 /nfs/dbraw/zinc/30/70/03/496307003.db2.gz XWQYLRGZFNOVNU-MNOVXSKESA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184387038 496362946 /nfs/dbraw/zinc/36/29/46/496362946.db2.gz OLHRTOPVIQPEPE-AWEZNQCLSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153290232 496410573 /nfs/dbraw/zinc/41/05/73/496410573.db2.gz IODXLIZVGMFYMW-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccccc1CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153290232 496410582 /nfs/dbraw/zinc/41/05/82/496410582.db2.gz IODXLIZVGMFYMW-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO CCSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175599388 496457991 /nfs/dbraw/zinc/45/79/91/496457991.db2.gz XNWNNBXXJWKKBK-CYBMUJFWSA-N 1 2 362.455 3.384 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000172885785 496475920 /nfs/dbraw/zinc/47/59/20/496475920.db2.gz YXQOJVWEKWGSHF-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775064 496566560 /nfs/dbraw/zinc/56/65/60/496566560.db2.gz VTFWIWPTDRVJFE-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775064 496566566 /nfs/dbraw/zinc/56/65/66/496566566.db2.gz VTFWIWPTDRVJFE-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000173201727 496590962 /nfs/dbraw/zinc/59/09/62/496590962.db2.gz KUMJCFGAKFRSLG-UHFFFAOYSA-N 1 2 360.439 3.218 20 5 FGBDLO CSc1cccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000188225713 496719441 /nfs/dbraw/zinc/71/94/41/496719441.db2.gz MGMLRZOMAJMBLN-CYBMUJFWSA-N 1 2 374.466 3.145 20 5 FGBDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000277381617 496754851 /nfs/dbraw/zinc/75/48/51/496754851.db2.gz HUUYYADOUDXHQU-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO COc1cc(C[NH2+]Cc2c(Cl)cccc2OC)c([N+](=O)[O-])cc1O ZINC000191634881 496840786 /nfs/dbraw/zinc/84/07/86/496840786.db2.gz GVSOOYOMYUIBEJ-UHFFFAOYSA-N 1 2 352.774 3.261 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCC2)CC1 ZINC000195318473 496887092 /nfs/dbraw/zinc/88/70/92/496887092.db2.gz RFZASZKKTVSASP-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195351311 496898377 /nfs/dbraw/zinc/89/83/77/496898377.db2.gz YRIVZAQZFQVVHY-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195351311 496898383 /nfs/dbraw/zinc/89/83/83/496898383.db2.gz YRIVZAQZFQVVHY-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000191906242 496927290 /nfs/dbraw/zinc/92/72/90/496927290.db2.gz CJMKTNMDDQPJMN-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248383451 496987717 /nfs/dbraw/zinc/98/77/17/496987717.db2.gz ADRGFZWNYTZOAK-VNQPRFMTSA-N 1 2 354.410 3.431 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000274338470 497074803 /nfs/dbraw/zinc/07/48/03/497074803.db2.gz YFBUAHZAWGAKPF-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000265683275 497160725 /nfs/dbraw/zinc/16/07/25/497160725.db2.gz CKVJWDUNLNXGBT-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCC2)n1 ZINC000275163414 497247686 /nfs/dbraw/zinc/24/76/86/497247686.db2.gz JJCYHDIOVUGDPY-UHFFFAOYSA-N 1 2 360.439 3.276 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279199152 497364900 /nfs/dbraw/zinc/36/49/00/497364900.db2.gz MLXJWIVTAVFCAP-SFHVURJKSA-N 1 2 368.437 3.493 20 5 FGBDLO O=C(c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255714608 497373640 /nfs/dbraw/zinc/37/36/40/497373640.db2.gz CWLSMQATZQQGSL-POHAHGRESA-N 1 2 351.406 3.066 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190166887 497383869 /nfs/dbraw/zinc/38/38/69/497383869.db2.gz FZOAOTHOKGATKT-CYBMUJFWSA-N 1 2 359.348 3.444 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190166887 497383871 /nfs/dbraw/zinc/38/38/71/497383871.db2.gz FZOAOTHOKGATKT-CYBMUJFWSA-N 1 2 359.348 3.444 20 5 FGBDLO CCc1cc(N[C@@H](C)CC[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266885451 497439009 /nfs/dbraw/zinc/43/90/09/497439009.db2.gz YYBKYSIEYUPEIZ-UOXLDJKESA-N 1 2 362.455 3.183 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245555247 497454531 /nfs/dbraw/zinc/45/45/31/497454531.db2.gz IFCPLAVSULBLNH-DLBZAZTESA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245555247 497454534 /nfs/dbraw/zinc/45/45/34/497454534.db2.gz IFCPLAVSULBLNH-DLBZAZTESA-N 1 2 355.394 3.098 20 5 FGBDLO C[C@@H](O)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272509139 497647654 /nfs/dbraw/zinc/64/76/54/497647654.db2.gz IQLZQCDZCFOCRB-AUUYWEPGSA-N 1 2 366.421 3.261 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272572847 497666566 /nfs/dbraw/zinc/66/65/66/497666566.db2.gz DCISKQDTIAPTKJ-INIZCTEOSA-N 1 2 373.413 3.001 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272572847 497666570 /nfs/dbraw/zinc/66/65/70/497666570.db2.gz DCISKQDTIAPTKJ-INIZCTEOSA-N 1 2 373.413 3.001 20 5 FGBDLO CCOc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000276884720 497678614 /nfs/dbraw/zinc/67/86/14/497678614.db2.gz JDZIWVRRBDIWJU-CQSZACIVSA-N 1 2 352.337 3.095 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000272711853 497709569 /nfs/dbraw/zinc/70/95/69/497709569.db2.gz XZAWGANFSLLQKB-HNNXBMFYSA-N 1 2 358.354 3.173 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000272711853 497709573 /nfs/dbraw/zinc/70/95/73/497709573.db2.gz XZAWGANFSLLQKB-HNNXBMFYSA-N 1 2 358.354 3.173 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000578456281 505944025 /nfs/dbraw/zinc/94/40/25/505944025.db2.gz VQOKIOWHRREPCI-UHFFFAOYSA-N 1 2 353.378 3.472 20 5 FGBDLO Cc1cc(N2CC[C@H](n3cccn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292187422 497913870 /nfs/dbraw/zinc/91/38/70/497913870.db2.gz BLZUUGLSOMRGFH-INIZCTEOSA-N 1 2 350.382 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC[NH+]1CCOCC1 ZINC000301059183 497932797 /nfs/dbraw/zinc/93/27/97/497932797.db2.gz JRIBXAZRWIZXBP-UHFFFAOYSA-N 1 2 353.728 3.011 20 5 FGBDLO Cc1cc(NC[C@H](C)Cn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301111849 497956029 /nfs/dbraw/zinc/95/60/29/497956029.db2.gz NGCCXWGQBYSPHX-ZDUSSCGKSA-N 1 2 352.398 3.305 20 5 FGBDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000296490746 498064289 /nfs/dbraw/zinc/06/42/89/498064289.db2.gz AYMDOKYZMFMHAD-UHFFFAOYSA-N 1 2 357.292 3.152 20 5 FGBDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296618323 498124215 /nfs/dbraw/zinc/12/42/15/498124215.db2.gz PZHKEEMGFXTVOE-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301655378 498208692 /nfs/dbraw/zinc/20/86/92/498208692.db2.gz KXFPFGVMRYHZOW-UHFFFAOYSA-N 1 2 355.442 3.436 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000281695918 498238953 /nfs/dbraw/zinc/23/89/53/498238953.db2.gz GUENXBVIOFGERJ-QGZVFWFLSA-N 1 2 356.426 3.416 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859736 498298165 /nfs/dbraw/zinc/29/81/65/498298165.db2.gz DEUWXNFESGSFCL-HZPDHXFCSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859736 498298171 /nfs/dbraw/zinc/29/81/71/498298171.db2.gz DEUWXNFESGSFCL-HZPDHXFCSA-N 1 2 362.817 3.127 20 5 FGBDLO C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569785415 506016199 /nfs/dbraw/zinc/01/61/99/506016199.db2.gz POXWHJFFNCPBLB-HNNXBMFYSA-N 1 2 369.421 3.169 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000286389815 498382377 /nfs/dbraw/zinc/38/23/77/498382377.db2.gz GXTMLVCQLGFVAB-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Cl)c1 ZINC000286389815 498382384 /nfs/dbraw/zinc/38/23/84/498382384.db2.gz GXTMLVCQLGFVAB-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000365362338 498424391 /nfs/dbraw/zinc/42/43/91/498424391.db2.gz OKKFPNLHPIOWBF-UHFFFAOYSA-N 1 2 355.320 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(OC(F)F)c1 ZINC000302205536 498441691 /nfs/dbraw/zinc/44/16/91/498441691.db2.gz DCCNVSFWTFFYOP-LLVKDONJSA-N 1 2 350.325 3.282 20 5 FGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000302206686 498442855 /nfs/dbraw/zinc/44/28/55/498442855.db2.gz DVVSUQWZBCQBIP-SMDDNHRTSA-N 1 2 352.341 3.480 20 5 FGBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282433811 498510187 /nfs/dbraw/zinc/51/01/87/498510187.db2.gz UOLMHKADMPHXQL-CYBMUJFWSA-N 1 2 372.400 3.287 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000331963677 498515733 /nfs/dbraw/zinc/51/57/33/498515733.db2.gz SUJVQAXLPYWNLT-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)c1 ZINC000363171135 498683886 /nfs/dbraw/zinc/68/38/86/498683886.db2.gz TVAZWILQPUFGBY-KRWDZBQOSA-N 1 2 370.388 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)c1 ZINC000363171135 498683890 /nfs/dbraw/zinc/68/38/90/498683890.db2.gz TVAZWILQPUFGBY-KRWDZBQOSA-N 1 2 370.388 3.158 20 5 FGBDLO CCOC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298240686 498705746 /nfs/dbraw/zinc/70/57/46/498705746.db2.gz IYNIRNFSMSYUMD-LBPRGKRZSA-N 1 2 369.849 3.466 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000570067158 506082855 /nfs/dbraw/zinc/08/28/55/506082855.db2.gz HQNGEAUNFZOXHR-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000317249318 498791911 /nfs/dbraw/zinc/79/19/11/498791911.db2.gz AGCZMUPYABADNJ-ZDUSSCGKSA-N 1 2 371.231 3.275 20 5 FGBDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000317249318 498791918 /nfs/dbraw/zinc/79/19/18/498791918.db2.gz AGCZMUPYABADNJ-ZDUSSCGKSA-N 1 2 371.231 3.275 20 5 FGBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294763501 498796487 /nfs/dbraw/zinc/79/64/87/498796487.db2.gz YOCSTXWOFSHCAE-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO O=C(C1CC1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294763501 498796490 /nfs/dbraw/zinc/79/64/90/498796490.db2.gz YOCSTXWOFSHCAE-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000283415489 498879770 /nfs/dbraw/zinc/87/97/70/498879770.db2.gz BGCNULDWCFGDST-CYBMUJFWSA-N 1 2 370.409 3.030 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)C1CCC1 ZINC000363580257 498888494 /nfs/dbraw/zinc/88/84/94/498888494.db2.gz MVLKESWRZXEJLC-UHFFFAOYSA-N 1 2 351.834 3.129 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363580244 498888509 /nfs/dbraw/zinc/88/85/09/498888509.db2.gz MGSPHOIKADOFCT-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363580244 498888512 /nfs/dbraw/zinc/88/85/12/498888512.db2.gz MGSPHOIKADOFCT-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000576358095 506138766 /nfs/dbraw/zinc/13/87/66/506138766.db2.gz DJWCIBIVKGQWEG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000576358095 506138769 /nfs/dbraw/zinc/13/87/69/506138769.db2.gz DJWCIBIVKGQWEG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](c1nccn1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877696 499241060 /nfs/dbraw/zinc/24/10/60/499241060.db2.gz MZGPTQGNVPCOPF-NVXWUHKLSA-N 1 2 366.425 3.375 20 5 FGBDLO C[C@H](c1nccn1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877696 499241061 /nfs/dbraw/zinc/24/10/61/499241061.db2.gz MZGPTQGNVPCOPF-NVXWUHKLSA-N 1 2 366.425 3.375 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370855196 499262777 /nfs/dbraw/zinc/26/27/77/499262777.db2.gz IJJFCORIXKTJEQ-HNNXBMFYSA-N 1 2 371.422 3.037 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000370868510 499264602 /nfs/dbraw/zinc/26/46/02/499264602.db2.gz GKQGJMVBIFUZGL-AWEZNQCLSA-N 1 2 358.398 3.098 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000368582434 499309830 /nfs/dbraw/zinc/30/98/30/499309830.db2.gz KGUJLIZRRDHOKI-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000368582434 499309831 /nfs/dbraw/zinc/30/98/31/499309831.db2.gz KGUJLIZRRDHOKI-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000369741957 499439937 /nfs/dbraw/zinc/43/99/37/499439937.db2.gz XWXCLHIUUGLWQS-UHFFFAOYSA-N 1 2 352.797 3.443 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707045 499484318 /nfs/dbraw/zinc/48/43/18/499484318.db2.gz IPOZVCPHOQGUFB-ZWKOTPCHSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707045 499484319 /nfs/dbraw/zinc/48/43/19/499484319.db2.gz IPOZVCPHOQGUFB-ZWKOTPCHSA-N 1 2 370.405 3.425 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000373734767 499485483 /nfs/dbraw/zinc/48/54/83/499485483.db2.gz DQKACAYINBRPRU-OAHLLOKOSA-N 1 2 372.425 3.496 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000375393507 499513803 /nfs/dbraw/zinc/51/38/03/499513803.db2.gz QZDSOIQBJWNLQF-ZDUSSCGKSA-N 1 2 365.777 3.190 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000375393507 499513804 /nfs/dbraw/zinc/51/38/04/499513804.db2.gz QZDSOIQBJWNLQF-ZDUSSCGKSA-N 1 2 365.777 3.190 20 5 FGBDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404258 499514742 /nfs/dbraw/zinc/51/47/42/499514742.db2.gz NTVIVIJFETVKIJ-GXTWGEPZSA-N 1 2 365.459 3.182 20 5 FGBDLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000375404258 499514743 /nfs/dbraw/zinc/51/47/43/499514743.db2.gz NTVIVIJFETVKIJ-GXTWGEPZSA-N 1 2 365.459 3.182 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000375630967 499539482 /nfs/dbraw/zinc/53/94/82/499539482.db2.gz NZZJYJNHGFVVEX-MRXNPFEDSA-N 1 2 350.369 3.390 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000378639865 499540226 /nfs/dbraw/zinc/54/02/26/499540226.db2.gz HDLHEPDYWDLHEB-LJQANCHMSA-N 1 2 352.394 3.216 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000376687549 499629331 /nfs/dbraw/zinc/62/93/31/499629331.db2.gz HLEPXTAKOLFPDT-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000376687549 499629332 /nfs/dbraw/zinc/62/93/32/499629332.db2.gz HLEPXTAKOLFPDT-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC000376692800 499629565 /nfs/dbraw/zinc/62/95/65/499629565.db2.gz AXMGDOUZIZGCMH-UHFFFAOYSA-N 1 2 363.801 3.236 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000410850312 499682260 /nfs/dbraw/zinc/68/22/60/499682260.db2.gz CFUHIJFNQFPZFB-CYBMUJFWSA-N 1 2 368.315 3.228 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c([N+](=O)[O-])cc1O ZINC000377355105 499682609 /nfs/dbraw/zinc/68/26/09/499682609.db2.gz SBJUSCNQHCBLIN-CYBMUJFWSA-N 1 2 368.393 3.346 20 5 FGBDLO COc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc([N+](=O)[O-])c1O ZINC000570384052 506155419 /nfs/dbraw/zinc/15/54/19/506155419.db2.gz WJWRQCAWORCVRN-UHFFFAOYSA-N 1 2 373.287 3.257 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000411772231 499788971 /nfs/dbraw/zinc/78/89/71/499788971.db2.gz SORZEDPRWPYLKZ-OAHLLOKOSA-N 1 2 358.398 3.473 20 5 FGBDLO Cc1nnc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033326 499815166 /nfs/dbraw/zinc/81/51/66/499815166.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033326 499815168 /nfs/dbraw/zinc/81/51/68/499815168.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000412033326 499815169 /nfs/dbraw/zinc/81/51/69/499815169.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000412033326 499815172 /nfs/dbraw/zinc/81/51/72/499815172.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000412033326 499815173 /nfs/dbraw/zinc/81/51/73/499815173.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000412033326 499815175 /nfs/dbraw/zinc/81/51/75/499815175.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 1 2 355.320 3.030 20 5 FGBDLO CN(C[C@@H](O)COCc1ccccc1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413130662 499917592 /nfs/dbraw/zinc/91/75/92/499917592.db2.gz DFHBUVHXFXKAGO-GOSISDBHSA-N 1 2 367.405 3.157 20 5 FGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000413189135 499924697 /nfs/dbraw/zinc/92/46/97/499924697.db2.gz IMQFMBFZAZMWMV-GXFFZTMASA-N 1 2 355.320 3.293 20 5 FGBDLO O=C1CCCCN1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413191064 499924901 /nfs/dbraw/zinc/92/49/01/499924901.db2.gz CCEWIZJPTOCPIW-UHFFFAOYSA-N 1 2 354.410 3.124 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000421264973 500006151 /nfs/dbraw/zinc/00/61/51/500006151.db2.gz QPKKJJJPGASQLV-CZUORRHYSA-N 1 2 358.398 3.187 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000421264973 500006154 /nfs/dbraw/zinc/00/61/54/500006154.db2.gz QPKKJJJPGASQLV-CZUORRHYSA-N 1 2 358.398 3.187 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000421419647 500042863 /nfs/dbraw/zinc/04/28/63/500042863.db2.gz RYLVOQRCJKZQEL-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000421441433 500049275 /nfs/dbraw/zinc/04/92/75/500049275.db2.gz BWRWWKWISJZTOK-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO COC(=O)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425402737 500094812 /nfs/dbraw/zinc/09/48/12/500094812.db2.gz GUPNZMUQWVOYMY-UHFFFAOYSA-N 1 2 371.231 3.132 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429564897 500104528 /nfs/dbraw/zinc/10/45/28/500104528.db2.gz GZYCCIPKQGYLRC-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429564897 500104531 /nfs/dbraw/zinc/10/45/31/500104531.db2.gz GZYCCIPKQGYLRC-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000425489990 500122180 /nfs/dbraw/zinc/12/21/80/500122180.db2.gz OQGMKZYIKGMRQG-MRVPVSSYSA-N 1 2 355.803 3.342 20 5 FGBDLO Cc1ccn2cc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000429810424 500148620 /nfs/dbraw/zinc/14/86/20/500148620.db2.gz BVSPSYCPUSKBIY-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428365268 500500649 /nfs/dbraw/zinc/50/06/49/500500649.db2.gz UPEISEQDQOHPRJ-ZDUSSCGKSA-N 1 2 374.466 3.428 20 5 FGBDLO NC(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000447394610 500600585 /nfs/dbraw/zinc/60/05/85/500600585.db2.gz GZZBJXMCJUTAKE-CQSZACIVSA-N 1 2 371.290 3.069 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc2c(c1)COC2 ZINC000447818559 500669666 /nfs/dbraw/zinc/66/96/66/500669666.db2.gz XJJMPNIXXMPUPF-UHFFFAOYSA-N 1 2 369.421 3.069 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850212 500706306 /nfs/dbraw/zinc/70/63/06/500706306.db2.gz QENTZWFOJOCINF-ZBFHGGJFSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850212 500706309 /nfs/dbraw/zinc/70/63/09/500706309.db2.gz QENTZWFOJOCINF-ZBFHGGJFSA-N 1 2 369.421 3.247 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000443554541 500737026 /nfs/dbraw/zinc/73/70/26/500737026.db2.gz AMMXPLVJCFSXKN-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000443554541 500737030 /nfs/dbraw/zinc/73/70/30/500737030.db2.gz AMMXPLVJCFSXKN-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO Cc1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000443557593 500737584 /nfs/dbraw/zinc/73/75/84/500737584.db2.gz IVKFQDVANCWSOU-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000443557593 500737586 /nfs/dbraw/zinc/73/75/86/500737586.db2.gz IVKFQDVANCWSOU-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCOc3c(F)cccc3C2)c([N+](=O)[O-])c1 ZINC000434620502 500867452 /nfs/dbraw/zinc/86/74/52/500867452.db2.gz KNILQAGNRIKGIB-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCOc3c(F)cccc3C2)c([N+](=O)[O-])c1 ZINC000434620502 500867455 /nfs/dbraw/zinc/86/74/55/500867455.db2.gz KNILQAGNRIKGIB-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444784223 500900521 /nfs/dbraw/zinc/90/05/21/500900521.db2.gz NBQUENBFZZZLMK-GOSISDBHSA-N 1 2 350.415 3.301 20 5 FGBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444784223 500900522 /nfs/dbraw/zinc/90/05/22/500900522.db2.gz NBQUENBFZZZLMK-GOSISDBHSA-N 1 2 350.415 3.301 20 5 FGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717889 501155488 /nfs/dbraw/zinc/15/54/88/501155488.db2.gz VWJDWVDYACMDJM-OAHLLOKOSA-N 1 2 357.454 3.348 20 5 FGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717889 501155490 /nfs/dbraw/zinc/15/54/90/501155490.db2.gz VWJDWVDYACMDJM-OAHLLOKOSA-N 1 2 357.454 3.348 20 5 FGBDLO CCc1cc(NC[C@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450723063 501194030 /nfs/dbraw/zinc/19/40/30/501194030.db2.gz BOAGSXCXEIVMMG-OAHLLOKOSA-N 1 2 368.437 3.265 20 5 FGBDLO O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159175 501196990 /nfs/dbraw/zinc/19/69/90/501196990.db2.gz SIIOEIZFFDBCOO-GFCCVEGCSA-N 1 2 350.325 3.088 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000450247754 501218633 /nfs/dbraw/zinc/21/86/33/501218633.db2.gz VDUFGKCCMCGZDF-ZDUSSCGKSA-N 1 2 361.833 3.230 20 5 FGBDLO CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451002314 501238195 /nfs/dbraw/zinc/23/81/95/501238195.db2.gz BWGLKWJCCVYXGY-GFCCVEGCSA-N 1 2 370.331 3.487 20 5 FGBDLO CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451525233 501312845 /nfs/dbraw/zinc/31/28/45/501312845.db2.gz FVHJZGWOLRZUEJ-MQIPJXDCSA-N 1 2 369.849 3.322 20 5 FGBDLO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451525233 501312848 /nfs/dbraw/zinc/31/28/48/501312848.db2.gz FVHJZGWOLRZUEJ-MQIPJXDCSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cn1 ZINC000451546737 501318957 /nfs/dbraw/zinc/31/89/57/501318957.db2.gz JOKJBHPAQLYZDM-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cn1 ZINC000451546737 501318960 /nfs/dbraw/zinc/31/89/60/501318960.db2.gz JOKJBHPAQLYZDM-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(NCC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451745429 501364813 /nfs/dbraw/zinc/36/48/13/501364813.db2.gz VLLYDFVQFLUPBG-UHFFFAOYSA-N 1 2 368.315 3.243 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456378378 501512964 /nfs/dbraw/zinc/51/29/64/501512964.db2.gz LILJCSMVXKOYSQ-SCVCMEIPSA-N 1 2 364.789 3.034 20 5 FGBDLO Cc1cc(C)c(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000454765741 501625128 /nfs/dbraw/zinc/62/51/28/501625128.db2.gz GJQNIRHCGZFQBA-UHFFFAOYSA-N 1 2 362.817 3.302 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1F ZINC000463472134 501733510 /nfs/dbraw/zinc/73/35/10/501733510.db2.gz BFQQPIAPJVLXKS-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO CCOC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000467736775 501855979 /nfs/dbraw/zinc/85/59/79/501855979.db2.gz FQQGFTNBXOTTFP-UHFFFAOYSA-N 1 2 354.366 3.074 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478047345 501864611 /nfs/dbraw/zinc/86/46/11/501864611.db2.gz PZNSQUCFJWRRDG-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478047345 501864615 /nfs/dbraw/zinc/86/46/15/501864615.db2.gz PZNSQUCFJWRRDG-OAHLLOKOSA-N 1 2 361.442 3.347 20 5 FGBDLO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)o1 ZINC000478236624 501917879 /nfs/dbraw/zinc/91/78/79/501917879.db2.gz UHAZDDKDUOUYLT-MRXNPFEDSA-N 1 2 362.382 3.230 20 5 FGBDLO CC(C)(C)CC(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020576 506281861 /nfs/dbraw/zinc/28/18/61/506281861.db2.gz SZPWOAFTSDVWIM-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464282354 501942686 /nfs/dbraw/zinc/94/26/86/501942686.db2.gz XSEOBCJDIJWPRO-UHFFFAOYSA-N 1 2 368.368 3.251 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000486055041 502032083 /nfs/dbraw/zinc/03/20/83/502032083.db2.gz SPCZXAOBXLLFSZ-UHFFFAOYSA-N 1 2 358.304 3.444 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000468584875 502115699 /nfs/dbraw/zinc/11/56/99/502115699.db2.gz GOSZJLXUYXEMCB-RVDMUPIBSA-N 1 2 354.410 3.342 20 5 FGBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000464846600 502116599 /nfs/dbraw/zinc/11/65/99/502116599.db2.gz ARDOUGPGJROGFC-UHFFFAOYSA-N 1 2 369.849 3.468 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000599073165 506309485 /nfs/dbraw/zinc/30/94/85/506309485.db2.gz LWOBNVYVJHDDIZ-ABAIWWIYSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596223377 506319030 /nfs/dbraw/zinc/31/90/30/506319030.db2.gz NHNAHDZLCGFKBE-UHFFFAOYSA-N 1 2 352.398 3.072 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000476761039 502580436 /nfs/dbraw/zinc/58/04/36/502580436.db2.gz ZUJCVRHYWMLFLH-UHFFFAOYSA-N 1 2 350.378 3.232 20 5 FGBDLO CCc1cc(NCC(C)(C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462870501 502606518 /nfs/dbraw/zinc/60/65/18/502606518.db2.gz DXLWEQJWMQBVCH-ZDUSSCGKSA-N 1 2 358.442 3.245 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857678 506329540 /nfs/dbraw/zinc/32/95/40/506329540.db2.gz XPDTZQLTQKTJGC-MRXNPFEDSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857678 506329548 /nfs/dbraw/zinc/32/95/48/506329548.db2.gz XPDTZQLTQKTJGC-MRXNPFEDSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473943950 502758125 /nfs/dbraw/zinc/75/81/25/502758125.db2.gz JEWFNRQIECHSDN-UHFFFAOYSA-N 1 2 351.366 3.300 20 5 FGBDLO CSC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000488946691 502844476 /nfs/dbraw/zinc/84/44/76/502844476.db2.gz SMLXQLJXRWPCIV-MRXNPFEDSA-N 1 2 365.499 3.006 20 5 FGBDLO O=C(NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000505577519 502939961 /nfs/dbraw/zinc/93/99/61/502939961.db2.gz XIZGLZKPZGTYSO-UHFFFAOYSA-N 1 2 357.385 3.128 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccoc1 ZINC000497463307 502964994 /nfs/dbraw/zinc/96/49/94/502964994.db2.gz BUHSMOZYYVGEJC-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccoc1 ZINC000497463307 502964998 /nfs/dbraw/zinc/96/49/98/502964998.db2.gz BUHSMOZYYVGEJC-UHFFFAOYSA-N 1 2 368.187 3.021 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000602903207 506344184 /nfs/dbraw/zinc/34/41/84/506344184.db2.gz MSEHWCXVLZBBGN-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000602903207 506344189 /nfs/dbraw/zinc/34/41/89/506344189.db2.gz MSEHWCXVLZBBGN-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO CN(CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513763421 503018825 /nfs/dbraw/zinc/01/88/25/503018825.db2.gz XRMLMHDUAVFZAS-IBGZPJMESA-N 1 2 365.437 3.144 20 5 FGBDLO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506354339 503099486 /nfs/dbraw/zinc/09/94/86/503099486.db2.gz VTHOFNPJQHGLNW-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089383 503228600 /nfs/dbraw/zinc/22/86/00/503228600.db2.gz SREDNMSWJLXGPN-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089383 503228604 /nfs/dbraw/zinc/22/86/04/503228604.db2.gz SREDNMSWJLXGPN-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511089892 503250566 /nfs/dbraw/zinc/25/05/66/503250566.db2.gz LQRDNXODZSAOFT-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511089892 503250568 /nfs/dbraw/zinc/25/05/68/503250568.db2.gz LQRDNXODZSAOFT-CQSZACIVSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511096973 503252832 /nfs/dbraw/zinc/25/28/32/503252832.db2.gz SEZWRHYKDBDSCJ-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511096973 503252838 /nfs/dbraw/zinc/25/28/38/503252838.db2.gz SEZWRHYKDBDSCJ-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507239508 503256833 /nfs/dbraw/zinc/25/68/33/503256833.db2.gz ZWEHKXCEVCTANT-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507239508 503256836 /nfs/dbraw/zinc/25/68/36/503256836.db2.gz ZWEHKXCEVCTANT-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1cc(N2CCO[C@@](C)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596335622 506361141 /nfs/dbraw/zinc/36/11/41/506361141.db2.gz YKCYKVLYEKZGGZ-LJQANCHMSA-N 1 2 354.410 3.366 20 5 FGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000503072110 503340871 /nfs/dbraw/zinc/34/08/71/503340871.db2.gz AHFGJOOQDXIDAQ-LBPRGKRZSA-N 1 2 350.378 3.101 20 5 FGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000503072110 503340876 /nfs/dbraw/zinc/34/08/76/503340876.db2.gz AHFGJOOQDXIDAQ-LBPRGKRZSA-N 1 2 350.378 3.101 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000492373677 503366815 /nfs/dbraw/zinc/36/68/15/503366815.db2.gz FQCZCEYGRCJDMT-UHFFFAOYSA-N 1 2 361.364 3.064 20 5 FGBDLO CCOc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000492373677 503366818 /nfs/dbraw/zinc/36/68/18/503366818.db2.gz FQCZCEYGRCJDMT-UHFFFAOYSA-N 1 2 361.364 3.064 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503256226 503378395 /nfs/dbraw/zinc/37/83/95/503378395.db2.gz KGLCAODJUIFGFK-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503256226 503378398 /nfs/dbraw/zinc/37/83/98/503378398.db2.gz KGLCAODJUIFGFK-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO CCn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2c1cccc2F ZINC000602963299 506367890 /nfs/dbraw/zinc/36/78/90/506367890.db2.gz UMUDNGZXGZTRHD-LJQANCHMSA-N 1 2 372.400 3.101 20 5 FGBDLO CCn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2c1cccc2F ZINC000602963298 506369059 /nfs/dbraw/zinc/36/90/59/506369059.db2.gz UMUDNGZXGZTRHD-IBGZPJMESA-N 1 2 372.400 3.101 20 5 FGBDLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507933520 503399052 /nfs/dbraw/zinc/39/90/52/503399052.db2.gz BYEUFSPOTPHRDR-UHFFFAOYSA-N 1 2 361.373 3.030 20 5 FGBDLO Cc1cc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000493103525 503407078 /nfs/dbraw/zinc/40/70/78/503407078.db2.gz IPHJHVNDSRCLDE-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000493519870 503431161 /nfs/dbraw/zinc/43/11/61/503431161.db2.gz DXSIMCFXHQUACJ-RBSFLKMASA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000493519870 503431165 /nfs/dbraw/zinc/43/11/65/503431165.db2.gz DXSIMCFXHQUACJ-RBSFLKMASA-N 1 2 367.877 3.322 20 5 FGBDLO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494641090 503581085 /nfs/dbraw/zinc/58/10/85/503581085.db2.gz DILUQQJMNJOJRH-BXUZGUMPSA-N 1 2 374.422 3.399 20 5 FGBDLO C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1[nH]cc[nH+]1 ZINC000516817553 503592918 /nfs/dbraw/zinc/59/29/18/503592918.db2.gz BRMINQNZXLLIOY-SECBINFHSA-N 1 2 368.343 3.174 20 5 FGBDLO CC(C)OCCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000536660902 503665075 /nfs/dbraw/zinc/66/50/75/503665075.db2.gz HVOUVNQYLXUJIT-UHFFFAOYSA-N 1 2 373.453 3.397 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532979262 503685039 /nfs/dbraw/zinc/68/50/39/503685039.db2.gz XJPGLYKXPOAQSA-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000532979262 503685041 /nfs/dbraw/zinc/68/50/41/503685041.db2.gz XJPGLYKXPOAQSA-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000540318105 503734231 /nfs/dbraw/zinc/73/42/31/503734231.db2.gz HGDNIDNHEVQFEV-HNNXBMFYSA-N 1 2 365.437 3.350 20 5 FGBDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C ZINC000543540301 503806299 /nfs/dbraw/zinc/80/62/99/503806299.db2.gz QCZUYMUHUONAFD-VIFPVBQESA-N 1 2 355.441 3.449 20 5 FGBDLO Cc1ccc([C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000543792615 503895076 /nfs/dbraw/zinc/89/50/76/503895076.db2.gz LJGHVGZLGOLJIL-GOSISDBHSA-N 1 2 370.453 3.400 20 5 FGBDLO CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518034148 503895615 /nfs/dbraw/zinc/89/56/15/503895615.db2.gz HDQYGNPRKUXEHI-MRXNPFEDSA-N 1 2 372.425 3.202 20 5 FGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000541431667 504126762 /nfs/dbraw/zinc/12/67/62/504126762.db2.gz ZQCXHXQDDSYRCB-UHFFFAOYSA-N 1 2 368.846 3.133 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000534915883 504279370 /nfs/dbraw/zinc/27/93/70/504279370.db2.gz YVCVPZXLRUMLGK-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000534915883 504279374 /nfs/dbraw/zinc/27/93/74/504279374.db2.gz YVCVPZXLRUMLGK-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)n1 ZINC000541935049 504307855 /nfs/dbraw/zinc/30/78/55/504307855.db2.gz BDEDMQFLOSSPGT-GOSISDBHSA-N 1 2 369.469 3.007 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116052 504362983 /nfs/dbraw/zinc/36/29/83/504362983.db2.gz VZKYPBPMLPOXLT-IVOILVROSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116052 504362985 /nfs/dbraw/zinc/36/29/85/504362985.db2.gz VZKYPBPMLPOXLT-IVOILVROSA-N 1 2 358.398 3.320 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000538870513 504400013 /nfs/dbraw/zinc/40/00/13/504400013.db2.gz KGAHCOZTEABOOZ-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO CCc1cnccc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539099425 504471854 /nfs/dbraw/zinc/47/18/54/504471854.db2.gz FFQZLBQZPNNGFZ-ZDUSSCGKSA-N 1 2 365.393 3.229 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000542947975 504669167 /nfs/dbraw/zinc/66/91/67/504669167.db2.gz PEVTWHQGFZBSGZ-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000542947975 504669169 /nfs/dbraw/zinc/66/91/69/504669169.db2.gz PEVTWHQGFZBSGZ-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000546029579 504680553 /nfs/dbraw/zinc/68/05/53/504680553.db2.gz RUNTYGDHULILEE-GOSISDBHSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000546029579 504680562 /nfs/dbraw/zinc/68/05/62/504680562.db2.gz RUNTYGDHULILEE-GOSISDBHSA-N 1 2 360.410 3.481 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000539861945 504720970 /nfs/dbraw/zinc/72/09/70/504720970.db2.gz BSIBONWQGPWKPE-WEVVVXLNSA-N 1 2 353.426 3.373 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000539861945 504720973 /nfs/dbraw/zinc/72/09/73/504720973.db2.gz BSIBONWQGPWKPE-WEVVVXLNSA-N 1 2 353.426 3.373 20 5 FGBDLO COc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]cc1Br ZINC000543144190 504740634 /nfs/dbraw/zinc/74/06/34/504740634.db2.gz YUOREPLUFWYWBN-UHFFFAOYSA-N 1 2 372.606 3.448 20 5 FGBDLO CC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000552868773 504778799 /nfs/dbraw/zinc/77/87/99/504778799.db2.gz HLPOEUFJLFNYJW-UHFFFAOYSA-N 1 2 368.324 3.375 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCCNc2ccc3ccccc3[nH+]2)s1 ZINC000552988063 504799239 /nfs/dbraw/zinc/79/92/39/504799239.db2.gz LDEDOTOWBDEFLC-UHFFFAOYSA-N 1 2 366.406 3.094 20 5 FGBDLO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000549686976 504873354 /nfs/dbraw/zinc/87/33/54/504873354.db2.gz HNCPQZHOYOKISP-AEFFLSMTSA-N 1 2 363.364 3.114 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000559504780 504877573 /nfs/dbraw/zinc/87/75/73/504877573.db2.gz UCIXKQGRQJNRHG-NSHDSACASA-N 1 2 357.332 3.425 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000559504780 504877574 /nfs/dbraw/zinc/87/75/74/504877574.db2.gz UCIXKQGRQJNRHG-NSHDSACASA-N 1 2 357.332 3.425 20 5 FGBDLO C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)n1cc[nH+]c1 ZINC000565719928 504968422 /nfs/dbraw/zinc/96/84/22/504968422.db2.gz OEYJPGNHDADTGH-LBPRGKRZSA-N 1 2 370.331 3.334 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563083547 505042579 /nfs/dbraw/zinc/04/25/79/505042579.db2.gz PMYCJVGWUBDMQD-CQSZACIVSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563083547 505042582 /nfs/dbraw/zinc/04/25/82/505042582.db2.gz PMYCJVGWUBDMQD-CQSZACIVSA-N 1 2 372.368 3.206 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000563574731 505180612 /nfs/dbraw/zinc/18/06/12/505180612.db2.gz UACSMPJCJLTRND-UHFFFAOYSA-N 1 2 353.382 3.435 20 5 FGBDLO Cc1c(C[N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1C ZINC000563679346 505208857 /nfs/dbraw/zinc/20/88/57/505208857.db2.gz YDJNVIISFOAXJM-UHFFFAOYSA-N 1 2 357.439 3.392 20 5 FGBDLO Cc1c(C[N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1C ZINC000563679346 505208860 /nfs/dbraw/zinc/20/88/60/505208860.db2.gz YDJNVIISFOAXJM-UHFFFAOYSA-N 1 2 357.439 3.392 20 5 FGBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000551803243 505312207 /nfs/dbraw/zinc/31/22/07/505312207.db2.gz OFWRJJCVXXSRME-UHFFFAOYSA-N 1 2 355.442 3.005 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000567194441 505391007 /nfs/dbraw/zinc/39/10/07/505391007.db2.gz YNNUQKCVURBWOS-UHFFFAOYSA-N 1 2 366.425 3.176 20 5 FGBDLO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000552142595 505414109 /nfs/dbraw/zinc/41/41/09/505414109.db2.gz GMVKZAGTZKTJRI-UHFFFAOYSA-N 1 2 363.458 3.275 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000567312409 505423966 /nfs/dbraw/zinc/42/39/66/505423966.db2.gz QNNCILLRHUJIJG-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000567312409 505423970 /nfs/dbraw/zinc/42/39/70/505423970.db2.gz QNNCILLRHUJIJG-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552249668 505440897 /nfs/dbraw/zinc/44/08/97/505440897.db2.gz HHOBZPVASNXUTM-LJQANCHMSA-N 1 2 366.421 3.224 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000555556830 505457054 /nfs/dbraw/zinc/45/70/54/505457054.db2.gz YRAIGGFUVSIJLZ-UHFFFAOYSA-N 1 2 364.405 3.447 20 5 FGBDLO CC1=CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[N@H+]3CC=C(C)CC3)c2)CC1 ZINC000555687601 505491994 /nfs/dbraw/zinc/49/19/94/505491994.db2.gz YBFBYWYNFQURPE-UHFFFAOYSA-N 1 2 370.453 3.342 20 5 FGBDLO CC1=CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]3CC=C(C)CC3)c2)CC1 ZINC000555687601 505491998 /nfs/dbraw/zinc/49/19/98/505491998.db2.gz YBFBYWYNFQURPE-UHFFFAOYSA-N 1 2 370.453 3.342 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000552515030 505506735 /nfs/dbraw/zinc/50/67/35/505506735.db2.gz VUWKWPJKLVHAMC-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000552515030 505506737 /nfs/dbraw/zinc/50/67/37/505506737.db2.gz VUWKWPJKLVHAMC-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000582777726 506415029 /nfs/dbraw/zinc/41/50/29/506415029.db2.gz ORGZXGPGUOTIQH-UHFFFAOYSA-N 1 2 371.784 3.069 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591168 506476091 /nfs/dbraw/zinc/47/60/91/506476091.db2.gz HMFVNTGDJUBNKF-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591168 506476094 /nfs/dbraw/zinc/47/60/94/506476094.db2.gz HMFVNTGDJUBNKF-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596593807 506479761 /nfs/dbraw/zinc/47/97/61/506479761.db2.gz SKZHGHUJSBIJLX-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596593807 506479767 /nfs/dbraw/zinc/47/97/67/506479767.db2.gz SKZHGHUJSBIJLX-SUMWQHHRSA-N 1 2 354.410 3.400 20 5 FGBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cs1 ZINC000599659615 506560548 /nfs/dbraw/zinc/56/05/48/506560548.db2.gz KOGDGPYNNHLAMM-UHFFFAOYSA-N 1 2 356.451 3.455 20 5 FGBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599689563 506582478 /nfs/dbraw/zinc/58/24/78/506582478.db2.gz JPZMKTVCCFCQHV-AWEZNQCLSA-N 1 2 359.348 3.104 20 5 FGBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599689563 506582484 /nfs/dbraw/zinc/58/24/84/506582484.db2.gz JPZMKTVCCFCQHV-AWEZNQCLSA-N 1 2 359.348 3.104 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000603732293 506605336 /nfs/dbraw/zinc/60/53/36/506605336.db2.gz HIILZXITDVJSQB-UHFFFAOYSA-N 1 2 371.418 3.361 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000593501783 506656316 /nfs/dbraw/zinc/65/63/16/506656316.db2.gz APFNJCQREMPHDS-HNNXBMFYSA-N 1 2 354.414 3.249 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593677898 506725508 /nfs/dbraw/zinc/72/55/08/506725508.db2.gz HFQKJIKGIAEMTR-OAHLLOKOSA-N 1 2 360.389 3.247 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000608976630 506757468 /nfs/dbraw/zinc/75/74/68/506757468.db2.gz DCHBUVYSGXGKKG-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO COC(=O)c1c(Cl)c(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000590569952 506862985 /nfs/dbraw/zinc/86/29/85/506862985.db2.gz OEALWLKJMFXGEQ-UHFFFAOYSA-N 1 2 374.784 3.337 20 5 FGBDLO CCC(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000600246376 506869729 /nfs/dbraw/zinc/86/97/29/506869729.db2.gz PVKYUHKJOFEOSD-UHFFFAOYSA-N 1 2 354.410 3.479 20 5 FGBDLO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1F ZINC000609450904 506885587 /nfs/dbraw/zinc/88/55/87/506885587.db2.gz BAFVRTTZZQAVHZ-BZNIZROVSA-N 1 2 361.348 3.329 20 5 FGBDLO C[C@H]1CC(F)(F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600449110 506959116 /nfs/dbraw/zinc/95/91/16/506959116.db2.gz QIRYHCBLVBKSFO-NSHDSACASA-N 1 2 350.325 3.040 20 5 FGBDLO CSc1cccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000583897722 507037370 /nfs/dbraw/zinc/03/73/70/507037370.db2.gz IXBOCAUDHRCMCC-LBPRGKRZSA-N 1 2 364.427 3.148 20 5 FGBDLO CSc1cccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000583897722 507037372 /nfs/dbraw/zinc/03/73/72/507037372.db2.gz IXBOCAUDHRCMCC-LBPRGKRZSA-N 1 2 364.427 3.148 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609977008 507059573 /nfs/dbraw/zinc/05/95/73/507059573.db2.gz ASNPHULTIWCJQD-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590979412 507069652 /nfs/dbraw/zinc/06/96/52/507069652.db2.gz SGSHYLRCARJYHO-UHFFFAOYSA-N 1 2 356.304 3.193 20 5 FGBDLO COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)CC[N@@H+]3C)cc2)cc([N+](=O)[O-])c1 ZINC000600787569 507121579 /nfs/dbraw/zinc/12/15/79/507121579.db2.gz AWWGUHCILUEHGN-IBGZPJMESA-N 1 2 368.389 3.384 20 5 FGBDLO COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)CC[N@H+]3C)cc2)cc([N+](=O)[O-])c1 ZINC000600787569 507121588 /nfs/dbraw/zinc/12/15/88/507121588.db2.gz AWWGUHCILUEHGN-IBGZPJMESA-N 1 2 368.389 3.384 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610304657 507185887 /nfs/dbraw/zinc/18/58/87/507185887.db2.gz SJSFJDZFOCBLIZ-AWEZNQCLSA-N 1 2 356.407 3.104 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(C2CCC2)CC1 ZINC000597990542 507210276 /nfs/dbraw/zinc/21/02/76/507210276.db2.gz XUPLGPDXNFSUSS-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@](CO)([NH2+]Cc1sccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148887 507277510 /nfs/dbraw/zinc/27/75/10/507277510.db2.gz HIYBUQMULTWEBW-CQSZACIVSA-N 1 2 371.256 3.416 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cn2c1 ZINC000584417421 507334383 /nfs/dbraw/zinc/33/43/83/507334383.db2.gz GQMCTJGCJGTLRG-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO COC(=O)c1cc(NCCc2cn3cccc(C)c3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000610769933 507384037 /nfs/dbraw/zinc/38/40/37/507384037.db2.gz MPYPHQNHSQGIKG-UHFFFAOYSA-N 1 2 368.393 3.301 20 5 FGBDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131001 507495820 /nfs/dbraw/zinc/49/58/20/507495820.db2.gz OUKNDSDQPCPLRE-WKILWMFISA-N 1 2 364.442 3.042 20 5 FGBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131001 507495825 /nfs/dbraw/zinc/49/58/25/507495825.db2.gz OUKNDSDQPCPLRE-WKILWMFISA-N 1 2 364.442 3.042 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCn3c[nH+]cc3C2)cc1OC ZINC000595490527 507528407 /nfs/dbraw/zinc/52/84/07/507528407.db2.gz NWEQLPRAHSPZBH-AWEZNQCLSA-N 1 2 374.441 3.241 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000611253455 507581146 /nfs/dbraw/zinc/58/11/46/507581146.db2.gz HSLLCUMBOJWSCZ-UHFFFAOYSA-N 1 2 360.458 3.052 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(C[C@H]4CCCO4)CC3)o2)c1 ZINC000611252850 507581930 /nfs/dbraw/zinc/58/19/30/507581930.db2.gz YNRAWTGXNNFZTJ-GOSISDBHSA-N 1 2 371.437 3.151 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135169 507604877 /nfs/dbraw/zinc/60/48/77/507604877.db2.gz YGCWFSAUJGTEIC-LIRRHRJNSA-N 1 2 369.421 3.055 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000602135169 507604879 /nfs/dbraw/zinc/60/48/79/507604879.db2.gz YGCWFSAUJGTEIC-LIRRHRJNSA-N 1 2 369.421 3.055 20 5 FGBDLO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592400600 507640231 /nfs/dbraw/zinc/64/02/31/507640231.db2.gz UHAWHIAYGVFNOF-WFASDCNBSA-N 1 2 365.430 3.022 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602270642 507649890 /nfs/dbraw/zinc/64/98/90/507649890.db2.gz VPNIVGVBTGUYNQ-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586768579 507666226 /nfs/dbraw/zinc/66/62/26/507666226.db2.gz HBNUIRXUFVVOTH-NSHDSACASA-N 1 2 356.369 3.284 20 5 FGBDLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586768579 507666231 /nfs/dbraw/zinc/66/62/31/507666231.db2.gz HBNUIRXUFVVOTH-NSHDSACASA-N 1 2 356.369 3.284 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000595760326 507671715 /nfs/dbraw/zinc/67/17/15/507671715.db2.gz QKQDHUWXXCBCID-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000595760326 507671719 /nfs/dbraw/zinc/67/17/19/507671719.db2.gz QKQDHUWXXCBCID-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808255 507696811 /nfs/dbraw/zinc/69/68/11/507696811.db2.gz BPOCBAVTNMSGNK-QWRGUYRKSA-N 1 2 358.179 3.041 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808255 507696817 /nfs/dbraw/zinc/69/68/17/507696817.db2.gz BPOCBAVTNMSGNK-QWRGUYRKSA-N 1 2 358.179 3.041 20 5 FGBDLO C[C@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473617 507697610 /nfs/dbraw/zinc/69/76/10/507697610.db2.gz ZOLPRRPOICETFT-LAUBAEHRSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473617 507697614 /nfs/dbraw/zinc/69/76/14/507697614.db2.gz ZOLPRRPOICETFT-LAUBAEHRSA-N 1 2 369.465 3.273 20 5 FGBDLO Cn1cc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602439666 507711476 /nfs/dbraw/zinc/71/14/76/507711476.db2.gz KWDOYXNDDIVETC-UHFFFAOYSA-N 1 2 362.817 3.077 20 5 FGBDLO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000595868726 507720669 /nfs/dbraw/zinc/72/06/69/507720669.db2.gz YYALRLWTLGGQSR-HNNXBMFYSA-N 1 2 352.337 3.095 20 5 FGBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000611560909 507739073 /nfs/dbraw/zinc/73/90/73/507739073.db2.gz BXXWHURQXGCFGL-KXBFYZLASA-N 1 2 366.421 3.475 20 5 FGBDLO CC(C)c1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000611560662 507739352 /nfs/dbraw/zinc/73/93/52/507739352.db2.gz OWMNZIDYZZXWBO-KRWDZBQOSA-N 1 2 355.398 3.319 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000611560840 507739669 /nfs/dbraw/zinc/73/96/69/507739669.db2.gz LKXCZNKXVVOSCW-INIZCTEOSA-N 1 2 357.801 3.256 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)c1 ZINC000823647884 607176782 /nfs/dbraw/zinc/17/67/82/607176782.db2.gz PBTDBAFTZBHQTD-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)c1 ZINC000823647884 607176783 /nfs/dbraw/zinc/17/67/83/607176783.db2.gz PBTDBAFTZBHQTD-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=C(OCC[NH+]1CCSCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177176079 705610209 /nfs/dbraw/zinc/61/02/09/705610209.db2.gz XPVPYZJKFNYXPG-UHFFFAOYSA-N 1 2 352.437 3.015 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374029393 713894219 /nfs/dbraw/zinc/89/42/19/713894219.db2.gz XFSXHHBJPQTOFN-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374029393 713894222 /nfs/dbraw/zinc/89/42/22/713894222.db2.gz XFSXHHBJPQTOFN-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])ccc1Br ZINC000737556111 722526961 /nfs/dbraw/zinc/52/69/61/722526961.db2.gz ZNMWWKHWJMZJEG-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000747203853 722636426 /nfs/dbraw/zinc/63/64/26/722636426.db2.gz NKTMAJPANRWZPT-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000790626391 723160711 /nfs/dbraw/zinc/16/07/11/723160711.db2.gz HYEFDHRQLBTHEV-ZDUSSCGKSA-N 1 2 352.272 3.092 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796556202 723643512 /nfs/dbraw/zinc/64/35/12/723643512.db2.gz VTKSSRMWWWEHSO-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796556202 723643513 /nfs/dbraw/zinc/64/35/13/723643513.db2.gz VTKSSRMWWWEHSO-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3occc3Br)C2)nc1 ZINC000769461969 723686115 /nfs/dbraw/zinc/68/61/15/723686115.db2.gz CZQDQAYQGGWCGF-JTQLQIEISA-N 1 2 367.203 3.032 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3occc3Br)C2)nc1 ZINC000769461969 723686116 /nfs/dbraw/zinc/68/61/16/723686116.db2.gz CZQDQAYQGGWCGF-JTQLQIEISA-N 1 2 367.203 3.032 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801511739 724308097 /nfs/dbraw/zinc/30/80/97/724308097.db2.gz HLJGRXNOSKNNBB-CYBMUJFWSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801511739 724308099 /nfs/dbraw/zinc/30/80/99/724308099.db2.gz HLJGRXNOSKNNBB-CYBMUJFWSA-N 1 2 353.394 3.223 20 5 FGBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000786849115 725003575 /nfs/dbraw/zinc/00/35/75/725003575.db2.gz CCICMHKOTDHPSJ-UHFFFAOYSA-N 1 2 357.757 3.268 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000787405654 725027500 /nfs/dbraw/zinc/02/75/00/725027500.db2.gz FQSODWJTYANSBT-LTBFUDJGSA-N 1 2 360.483 3.107 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810040471 725284266 /nfs/dbraw/zinc/28/42/66/725284266.db2.gz RPEDTEMEUVOEQH-AWEZNQCLSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810040471 725284268 /nfs/dbraw/zinc/28/42/68/725284268.db2.gz RPEDTEMEUVOEQH-AWEZNQCLSA-N 1 2 367.833 3.491 20 5 FGBDLO Cc1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C)s1 ZINC000813172665 726845867 /nfs/dbraw/zinc/84/58/67/726845867.db2.gz PWDOHKGIBMYCPZ-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO Cc1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C)s1 ZINC000813172665 726845869 /nfs/dbraw/zinc/84/58/69/726845869.db2.gz PWDOHKGIBMYCPZ-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCCC1 ZINC000813173381 726846553 /nfs/dbraw/zinc/84/65/53/726846553.db2.gz BCGWYSIJDUBGLV-INIZCTEOSA-N 1 2 350.390 3.385 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCCC1 ZINC000813173381 726846558 /nfs/dbraw/zinc/84/65/58/726846558.db2.gz BCGWYSIJDUBGLV-INIZCTEOSA-N 1 2 350.390 3.385 20 5 FGBDLO C[C@@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000821852647 729123378 /nfs/dbraw/zinc/12/33/78/729123378.db2.gz VBKHUJOQQJBJHW-GJZGRUSLSA-N 1 2 353.737 3.252 20 5 FGBDLO C[C@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000821852646 729123572 /nfs/dbraw/zinc/12/35/72/729123572.db2.gz VBKHUJOQQJBJHW-CABCVRRESA-N 1 2 353.737 3.252 20 5 FGBDLO CO[C@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000823031478 729245593 /nfs/dbraw/zinc/24/55/93/729245593.db2.gz NBGSRMFTQSQRLT-OAHLLOKOSA-N 1 2 355.232 3.140 20 5 FGBDLO CO[C@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000823031478 729245595 /nfs/dbraw/zinc/24/55/95/729245595.db2.gz NBGSRMFTQSQRLT-OAHLLOKOSA-N 1 2 355.232 3.140 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827342222 729428919 /nfs/dbraw/zinc/42/89/19/729428919.db2.gz FYVPXBHDFMGCEN-GOEBONIOSA-N 1 2 371.840 3.176 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827342222 729428920 /nfs/dbraw/zinc/42/89/20/729428920.db2.gz FYVPXBHDFMGCEN-GOEBONIOSA-N 1 2 371.840 3.176 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccon2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852672799 731616841 /nfs/dbraw/zinc/61/68/41/731616841.db2.gz JWCKECQMZLUNER-UHFFFAOYSA-N 1 2 364.789 3.054 20 5 FGBDLO O=C(NCC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857373764 732124733 /nfs/dbraw/zinc/12/47/33/732124733.db2.gz LPWPGESRRVONIH-LLVKDONJSA-N 1 2 369.208 3.094 20 5 FGBDLO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000866540562 733363276 /nfs/dbraw/zinc/36/32/76/733363276.db2.gz QPDOGPNKTSNSIH-OAHLLOKOSA-N 1 2 364.398 3.051 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000877901731 736740513 /nfs/dbraw/zinc/74/05/13/736740513.db2.gz STEJFQXDWBESSL-SNVBAGLBSA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000877901731 736740517 /nfs/dbraw/zinc/74/05/17/736740517.db2.gz STEJFQXDWBESSL-SNVBAGLBSA-N 1 2 356.304 3.419 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100885 739330154 /nfs/dbraw/zinc/33/01/54/739330154.db2.gz VWMNNLAVCZCKLQ-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100885 739330159 /nfs/dbraw/zinc/33/01/59/739330159.db2.gz VWMNNLAVCZCKLQ-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)c(C(F)F)c1 ZINC000894854444 742343174 /nfs/dbraw/zinc/34/31/74/742343174.db2.gz BNWXLEIHBLTTMV-UHFFFAOYSA-N 1 2 354.382 3.311 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900983002 743210193 /nfs/dbraw/zinc/21/01/93/743210193.db2.gz HLSQTWZQICDKEK-UHFFFAOYSA-N 1 2 352.753 3.130 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900983002 743210198 /nfs/dbraw/zinc/21/01/98/743210198.db2.gz HLSQTWZQICDKEK-UHFFFAOYSA-N 1 2 352.753 3.130 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)no1 ZINC000931933492 761009544 /nfs/dbraw/zinc/00/95/44/761009544.db2.gz KDWRPVLAXURPFF-JTQLQIEISA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)no1 ZINC000931933492 761009555 /nfs/dbraw/zinc/00/95/55/761009555.db2.gz KDWRPVLAXURPFF-JTQLQIEISA-N 1 2 367.203 3.038 20 5 FGBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1Cc1ccccc1 ZINC000075915499 493795950 /nfs/dbraw/zinc/79/59/50/493795950.db2.gz JDRPETTVUGSDRF-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1Cc1ccccc1 ZINC000075915499 493795955 /nfs/dbraw/zinc/79/59/55/493795955.db2.gz JDRPETTVUGSDRF-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029658611 493850482 /nfs/dbraw/zinc/85/04/82/493850482.db2.gz LTRNXINHLLXGPD-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029658611 493850485 /nfs/dbraw/zinc/85/04/85/493850485.db2.gz LTRNXINHLLXGPD-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)cc1 ZINC000069161186 493930754 /nfs/dbraw/zinc/93/07/54/493930754.db2.gz SNOQTQJOUNGRRP-UHFFFAOYSA-N 1 2 361.829 3.449 20 5 FGBDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000060493721 493938885 /nfs/dbraw/zinc/93/88/85/493938885.db2.gz ZCUXMENKZQLAME-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032169319 493977243 /nfs/dbraw/zinc/97/72/43/493977243.db2.gz GDYWIEVMXGEFOT-UHFFFAOYSA-N 1 2 364.405 3.488 20 5 FGBDLO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032166040 493977264 /nfs/dbraw/zinc/97/72/64/493977264.db2.gz FNIRSYRJHMEFKN-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000070881377 494065098 /nfs/dbraw/zinc/06/50/98/494065098.db2.gz KJLLNYWVLHDTTI-QGZVFWFLSA-N 1 2 357.410 3.113 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000008320606 494084107 /nfs/dbraw/zinc/08/41/07/494084107.db2.gz DQHXTJDKMDVQCG-CQSZACIVSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000008320606 494084108 /nfs/dbraw/zinc/08/41/08/494084108.db2.gz DQHXTJDKMDVQCG-CQSZACIVSA-N 1 2 361.423 3.441 20 5 FGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000086235398 494145435 /nfs/dbraw/zinc/14/54/35/494145435.db2.gz WERZGSRQRKSRMS-CYBMUJFWSA-N 1 2 355.394 3.303 20 5 FGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000086235398 494145439 /nfs/dbraw/zinc/14/54/39/494145439.db2.gz WERZGSRQRKSRMS-CYBMUJFWSA-N 1 2 355.394 3.303 20 5 FGBDLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000054225308 494208821 /nfs/dbraw/zinc/20/88/21/494208821.db2.gz KEDKVNAWGUQVLH-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO O=[N+]([O-])c1cc(COc2cccc(-n3cc[nH+]c3)c2)c2c(c1)COCO2 ZINC000072674245 494230403 /nfs/dbraw/zinc/23/04/03/494230403.db2.gz MQLNDWBQVAJQSM-UHFFFAOYSA-N 1 2 353.334 3.226 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000088605316 494251463 /nfs/dbraw/zinc/25/14/63/494251463.db2.gz PUYGQMUYKKYJMU-CYBMUJFWSA-N 1 2 369.421 3.372 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000088605316 494251469 /nfs/dbraw/zinc/25/14/69/494251469.db2.gz PUYGQMUYKKYJMU-CYBMUJFWSA-N 1 2 369.421 3.372 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000043305292 494285769 /nfs/dbraw/zinc/28/57/69/494285769.db2.gz SNGWHODOTGFVDD-QFBILLFUSA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000043305292 494285773 /nfs/dbraw/zinc/28/57/73/494285773.db2.gz SNGWHODOTGFVDD-QFBILLFUSA-N 1 2 369.421 3.040 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000043507067 494301803 /nfs/dbraw/zinc/30/18/03/494301803.db2.gz QYPNEWFHWIAAAJ-UHFFFAOYSA-N 1 2 369.768 3.307 20 5 FGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000078627111 494332924 /nfs/dbraw/zinc/33/29/24/494332924.db2.gz ZEPQSNAQKLPENK-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO Cn1c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000089870412 494386958 /nfs/dbraw/zinc/38/69/58/494386958.db2.gz QJLYSOUHENADMS-UHFFFAOYSA-N 1 2 366.377 3.376 20 5 FGBDLO CCc1cc(N2CCC[C@H](C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000066812466 494414417 /nfs/dbraw/zinc/41/44/17/494414417.db2.gz GHTKXTZZRJRZBR-AWEZNQCLSA-N 1 2 370.409 3.004 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000055928620 494429199 /nfs/dbraw/zinc/42/91/99/494429199.db2.gz NLDPOUQRMUDJFI-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056182522 494468012 /nfs/dbraw/zinc/46/80/12/494468012.db2.gz QFSUVQIHTXBLTQ-UHFFFAOYSA-N 1 2 363.377 3.164 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000090616256 494488680 /nfs/dbraw/zinc/48/86/80/494488680.db2.gz NOHGGGQKVHUWPL-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000090616256 494488684 /nfs/dbraw/zinc/48/86/84/494488684.db2.gz NOHGGGQKVHUWPL-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458440 494545210 /nfs/dbraw/zinc/54/52/10/494545210.db2.gz GSAPCUSFBXCTJB-UHFFFAOYSA-N 1 2 362.451 3.279 20 5 FGBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458440 494545213 /nfs/dbraw/zinc/54/52/13/494545213.db2.gz GSAPCUSFBXCTJB-UHFFFAOYSA-N 1 2 362.451 3.279 20 5 FGBDLO Cc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000067523339 494557380 /nfs/dbraw/zinc/55/73/80/494557380.db2.gz JVMXGFUTVXXEQM-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000023238624 494557622 /nfs/dbraw/zinc/55/76/22/494557622.db2.gz ISWLEVXACWMDIA-UHFFFAOYSA-N 1 2 365.393 3.355 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000067554941 494566335 /nfs/dbraw/zinc/56/63/35/494566335.db2.gz FFTWLUXKPLTODN-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056895864 494589756 /nfs/dbraw/zinc/58/97/56/494589756.db2.gz RDXIOVGJPIOEIP-CQSZACIVSA-N 1 2 365.393 3.341 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067680627 494607535 /nfs/dbraw/zinc/60/75/35/494607535.db2.gz BFPLXPQGIQTHSY-UHFFFAOYSA-N 1 2 366.377 3.052 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131516120 494645702 /nfs/dbraw/zinc/64/57/02/494645702.db2.gz QXZMCFPJMLJMHX-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131516120 494645705 /nfs/dbraw/zinc/64/57/05/494645705.db2.gz QXZMCFPJMLJMHX-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO Cc1cc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000057136666 494651485 /nfs/dbraw/zinc/65/14/85/494651485.db2.gz QIBUKFFWCQBTKD-UHFFFAOYSA-N 1 2 359.405 3.282 20 5 FGBDLO COCC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092562792 494670265 /nfs/dbraw/zinc/67/02/65/494670265.db2.gz GWDHRCMEHIKKSF-UHFFFAOYSA-N 1 2 356.325 3.438 20 5 FGBDLO COCC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092562792 494670270 /nfs/dbraw/zinc/67/02/70/494670270.db2.gz GWDHRCMEHIKKSF-UHFFFAOYSA-N 1 2 356.325 3.438 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000080611598 494746076 /nfs/dbraw/zinc/74/60/76/494746076.db2.gz YTAKBKIYAPMQRH-UHFFFAOYSA-N 1 2 362.455 3.274 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000047743217 494769239 /nfs/dbraw/zinc/76/92/39/494769239.db2.gz JTJBBWYFMLHFSF-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000577503745 505740999 /nfs/dbraw/zinc/74/09/99/505740999.db2.gz MBSKHYSISTYMQG-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO COc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000025815289 494780902 /nfs/dbraw/zinc/78/09/02/494780902.db2.gz SYUMWGLSWDTHOC-LJQANCHMSA-N 1 2 357.410 3.089 20 5 FGBDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348636 494820387 /nfs/dbraw/zinc/82/03/87/494820387.db2.gz JGXZOLJRDTWJML-AWEZNQCLSA-N 1 2 357.410 3.371 20 5 FGBDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348636 494820389 /nfs/dbraw/zinc/82/03/89/494820389.db2.gz JGXZOLJRDTWJML-AWEZNQCLSA-N 1 2 357.410 3.371 20 5 FGBDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711528 494834776 /nfs/dbraw/zinc/83/47/76/494834776.db2.gz MWTBOQHNXCCHRR-OAHLLOKOSA-N 1 2 355.394 3.337 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(Cl)c1 ZINC000027352377 494863858 /nfs/dbraw/zinc/86/38/58/494863858.db2.gz HIGJRPDVEHKNHK-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(Cl)c1 ZINC000027352377 494863864 /nfs/dbraw/zinc/86/38/64/494863864.db2.gz HIGJRPDVEHKNHK-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000027382021 494866247 /nfs/dbraw/zinc/86/62/47/494866247.db2.gz HUNCXWQXIPAONI-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000027459447 494869393 /nfs/dbraw/zinc/86/93/93/494869393.db2.gz DYOVTOIVQIMXTD-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000122435507 494975249 /nfs/dbraw/zinc/97/52/49/494975249.db2.gz ZEFQWVYLZLELFR-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127771313 494995621 /nfs/dbraw/zinc/99/56/21/494995621.db2.gz CWRQKIWLPSQLGR-DOMZBBRYSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127771313 494995626 /nfs/dbraw/zinc/99/56/26/494995626.db2.gz CWRQKIWLPSQLGR-DOMZBBRYSA-N 1 2 367.377 3.110 20 5 FGBDLO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123000446 495065489 /nfs/dbraw/zinc/06/54/89/495065489.db2.gz NFCMTOMHOUUYDJ-YJBOKZPZSA-N 1 2 371.441 3.093 20 5 FGBDLO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128588455 495120420 /nfs/dbraw/zinc/12/04/20/495120420.db2.gz RMFIPLWNSFPADC-UHFFFAOYSA-N 1 2 355.394 3.457 20 5 FGBDLO O=[N+]([O-])c1c(Nc2ccc(N3CCOCC3)[nH+]c2)ccc2ncccc21 ZINC000112073479 495141722 /nfs/dbraw/zinc/14/17/22/495141722.db2.gz HAHPIMHSWYIUIU-UHFFFAOYSA-N 1 2 351.366 3.118 20 5 FGBDLO CCOc1ccc(C[NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000574408718 505766107 /nfs/dbraw/zinc/76/61/07/505766107.db2.gz XFAJXSIEIBEEQV-UHFFFAOYSA-N 1 2 371.437 3.017 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000112664975 495220058 /nfs/dbraw/zinc/22/00/58/495220058.db2.gz NSBJYQLSHHECMI-UHFFFAOYSA-N 1 2 367.409 3.132 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136315570 495371853 /nfs/dbraw/zinc/37/18/53/495371853.db2.gz CWKVNBNGSXGBPJ-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130896386 495463371 /nfs/dbraw/zinc/46/33/71/495463371.db2.gz HNPOFPWRNWUSLP-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130896386 495463376 /nfs/dbraw/zinc/46/33/76/495463376.db2.gz HNPOFPWRNWUSLP-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1[N+](=O)[O-] ZINC000125641351 495475468 /nfs/dbraw/zinc/47/54/68/495475468.db2.gz CBHIIGSOPPWMRT-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000140304372 495492707 /nfs/dbraw/zinc/49/27/07/495492707.db2.gz PLUVVZWCNVQRRU-GOSISDBHSA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000140304372 495492710 /nfs/dbraw/zinc/49/27/10/495492710.db2.gz PLUVVZWCNVQRRU-GOSISDBHSA-N 1 2 366.421 3.024 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185496967 495599246 /nfs/dbraw/zinc/59/92/46/495599246.db2.gz NRCHZZRAJYQTKP-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1C ZINC000580599301 505793889 /nfs/dbraw/zinc/79/38/89/505793889.db2.gz CLGAHXNAVXMWKC-IBGZPJMESA-N 1 2 367.405 3.431 20 5 FGBDLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585808 495632693 /nfs/dbraw/zinc/63/26/93/495632693.db2.gz BJPNJPLYVCJJTC-YGRLFVJLSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585808 495632699 /nfs/dbraw/zinc/63/26/99/495632699.db2.gz BJPNJPLYVCJJTC-YGRLFVJLSA-N 1 2 370.247 3.416 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(-n4cc[nH+]c4)c3)cc2N1 ZINC000150847732 495653987 /nfs/dbraw/zinc/65/39/87/495653987.db2.gz GYYAWWJOPDXJMH-UHFFFAOYSA-N 1 2 350.334 3.458 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000182667141 495655161 /nfs/dbraw/zinc/65/51/61/495655161.db2.gz YRRXHHGDXDGZRT-NSHDSACASA-N 1 2 368.224 3.378 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)nc1 ZINC000182667141 495655168 /nfs/dbraw/zinc/65/51/68/495655168.db2.gz YRRXHHGDXDGZRT-NSHDSACASA-N 1 2 368.224 3.378 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000173770745 495685438 /nfs/dbraw/zinc/68/54/38/495685438.db2.gz PCEOBOOMEWIXHD-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO COc1c(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)nn1C ZINC000160190705 495904127 /nfs/dbraw/zinc/90/41/27/495904127.db2.gz KOZWYMDHWZFCTB-UHFFFAOYSA-N 1 2 373.438 3.059 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619983 495951609 /nfs/dbraw/zinc/95/16/09/495951609.db2.gz MVIJJPCFUSZISJ-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619983 495951618 /nfs/dbraw/zinc/95/16/18/495951618.db2.gz MVIJJPCFUSZISJ-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155485739 495970925 /nfs/dbraw/zinc/97/09/25/495970925.db2.gz UKVAPXZWXIDRCO-GFCCVEGCSA-N 1 2 360.801 3.042 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000177221987 495983636 /nfs/dbraw/zinc/98/36/36/495983636.db2.gz HFHAUXJVHKOLJJ-ZDUSSCGKSA-N 1 2 373.409 3.076 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000177221987 495983644 /nfs/dbraw/zinc/98/36/44/495983644.db2.gz HFHAUXJVHKOLJJ-ZDUSSCGKSA-N 1 2 373.409 3.076 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000171755214 496022409 /nfs/dbraw/zinc/02/24/09/496022409.db2.gz GZVFPQNNLMEOQV-UHFFFAOYSA-N 1 2 352.350 3.083 20 5 FGBDLO O=C(c1cccs1)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171829794 496055719 /nfs/dbraw/zinc/05/57/19/496055719.db2.gz LNMBEFXNTZLCBW-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1cccs1)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171829794 496055726 /nfs/dbraw/zinc/05/57/26/496055726.db2.gz LNMBEFXNTZLCBW-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000172135137 496179707 /nfs/dbraw/zinc/17/97/07/496179707.db2.gz PSNGBJVNJOMENB-UHFFFAOYSA-N 1 2 370.434 3.101 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184186822 496277679 /nfs/dbraw/zinc/27/76/79/496277679.db2.gz SSOCGESTKJLGFH-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184186822 496277681 /nfs/dbraw/zinc/27/76/81/496277681.db2.gz SSOCGESTKJLGFH-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000172459338 496304497 /nfs/dbraw/zinc/30/44/97/496304497.db2.gz YMTRKBLEWUGGCX-UHFFFAOYSA-N 1 2 361.423 3.049 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505289 496320711 /nfs/dbraw/zinc/32/07/11/496320711.db2.gz LMKWEQKRSRRCPS-UHFFFAOYSA-N 1 2 358.785 3.336 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153374447 496434370 /nfs/dbraw/zinc/43/43/70/496434370.db2.gz YULGQQROUMWZHE-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153374447 496434375 /nfs/dbraw/zinc/43/43/75/496434375.db2.gz YULGQQROUMWZHE-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1c(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000162948833 496439342 /nfs/dbraw/zinc/43/93/42/496439342.db2.gz LVBBIXJRLRCZIQ-UHFFFAOYSA-N 1 2 368.368 3.087 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000181689112 496504484 /nfs/dbraw/zinc/50/44/84/496504484.db2.gz WZTZKVYNJIJQTR-INIZCTEOSA-N 1 2 354.366 3.122 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000153617249 496518905 /nfs/dbraw/zinc/51/89/05/496518905.db2.gz SDSWCMOLUHLHJH-HNNXBMFYSA-N 1 2 371.441 3.432 20 5 FGBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc2ccccc2o1 ZINC000181939918 496605346 /nfs/dbraw/zinc/60/53/46/496605346.db2.gz QVGKDPRTPJLLMK-UHFFFAOYSA-N 1 2 374.418 3.247 20 5 FGBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc2ccccc2o1 ZINC000181939918 496605352 /nfs/dbraw/zinc/60/53/52/496605352.db2.gz QVGKDPRTPJLLMK-UHFFFAOYSA-N 1 2 374.418 3.247 20 5 FGBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000158009845 496607841 /nfs/dbraw/zinc/60/78/41/496607841.db2.gz RRIFYJCXVFPPAR-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000158009845 496607846 /nfs/dbraw/zinc/60/78/46/496607846.db2.gz RRIFYJCXVFPPAR-UHFFFAOYSA-N 1 2 361.373 3.084 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000273651204 496864463 /nfs/dbraw/zinc/86/44/63/496864463.db2.gz WJOQRJSZPPTWOJ-HTQZYQBOSA-N 1 2 369.834 3.086 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000578142005 505871623 /nfs/dbraw/zinc/87/16/23/505871623.db2.gz CACPGFXGMCSKQV-ZJBFNYKTSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000578142005 505871625 /nfs/dbraw/zinc/87/16/25/505871625.db2.gz CACPGFXGMCSKQV-ZJBFNYKTSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000578142003 505871638 /nfs/dbraw/zinc/87/16/38/505871638.db2.gz CACPGFXGMCSKQV-XLBHYRNJSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000578142003 505871643 /nfs/dbraw/zinc/87/16/43/505871643.db2.gz CACPGFXGMCSKQV-XLBHYRNJSA-N 1 2 356.382 3.074 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195316918 496887499 /nfs/dbraw/zinc/88/74/99/496887499.db2.gz QQPWBLGJNYGLJL-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776760 496914588 /nfs/dbraw/zinc/91/45/88/496914588.db2.gz WYBHWTXQQIGBNN-GRDNDAEWSA-N 1 2 374.466 3.382 20 5 FGBDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248458019 497019256 /nfs/dbraw/zinc/01/92/56/497019256.db2.gz MRCFJCKYDYKEIB-KBXCAEBGSA-N 1 2 360.435 3.062 20 5 FGBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248458019 497019258 /nfs/dbraw/zinc/01/92/58/497019258.db2.gz MRCFJCKYDYKEIB-KBXCAEBGSA-N 1 2 360.435 3.062 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000270479276 497136882 /nfs/dbraw/zinc/13/68/82/497136882.db2.gz KJADWESRNIKOQN-UHFFFAOYSA-N 1 2 356.386 3.306 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)nc2c1 ZINC000278684569 497189564 /nfs/dbraw/zinc/18/95/64/497189564.db2.gz MJDFXYYNMCDHTF-CQSZACIVSA-N 1 2 359.411 3.069 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266267775 497290993 /nfs/dbraw/zinc/29/09/93/497290993.db2.gz GIPLGWVBYGOHFV-JTQLQIEISA-N 1 2 368.315 3.357 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000575024526 505907117 /nfs/dbraw/zinc/90/71/17/505907117.db2.gz GQWQADJRPDNBMU-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000575024526 505907121 /nfs/dbraw/zinc/90/71/21/505907121.db2.gz GQWQADJRPDNBMU-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698078 497512824 /nfs/dbraw/zinc/51/28/24/497512824.db2.gz GRWBAILWBMIWJH-LPMFXHHGSA-N 1 2 373.409 3.018 20 5 FGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698078 497512828 /nfs/dbraw/zinc/51/28/28/497512828.db2.gz GRWBAILWBMIWJH-LPMFXHHGSA-N 1 2 373.409 3.018 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000245920888 497571542 /nfs/dbraw/zinc/57/15/42/497571542.db2.gz SQANSVLOGOYYQS-IUODEOHRSA-N 1 2 365.842 3.485 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000245920888 497571548 /nfs/dbraw/zinc/57/15/48/497571548.db2.gz SQANSVLOGOYYQS-IUODEOHRSA-N 1 2 365.842 3.485 20 5 FGBDLO Cc1ccc([C@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272528916 497652700 /nfs/dbraw/zinc/65/27/00/497652700.db2.gz MNYFGWBRWRHNTK-MOPGFXCFSA-N 1 2 366.421 3.049 20 5 FGBDLO CCc1nn(C)c(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000280321030 497718820 /nfs/dbraw/zinc/71/88/20/497718820.db2.gz TXIOSZOSACBISA-UHFFFAOYSA-N 1 2 368.441 3.390 20 5 FGBDLO CN(C)c1noc(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000191230352 497750582 /nfs/dbraw/zinc/75/05/82/497750582.db2.gz CIIWXISCHIKAIX-UHFFFAOYSA-N 1 2 365.821 3.077 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000280466944 497762892 /nfs/dbraw/zinc/76/28/92/497762892.db2.gz CFZIIXFLYUTNHZ-UHFFFAOYSA-N 1 2 374.871 3.393 20 5 FGBDLO Cc1ccnc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000272947723 497767353 /nfs/dbraw/zinc/76/73/53/497767353.db2.gz LXGJFFVDNHXSSQ-UHFFFAOYSA-N 1 2 368.393 3.483 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000578400880 505929953 /nfs/dbraw/zinc/92/99/53/505929953.db2.gz PMYIFOMVITZXHT-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000578400880 505929957 /nfs/dbraw/zinc/92/99/57/505929957.db2.gz PMYIFOMVITZXHT-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296056204 497906531 /nfs/dbraw/zinc/90/65/31/497906531.db2.gz ZNFLMDVOVXTEQJ-SWLSCSKDSA-N 1 2 374.466 3.419 20 5 FGBDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000301085054 497944755 /nfs/dbraw/zinc/94/47/55/497944755.db2.gz LHWDKCCPIWNSQG-INIZCTEOSA-N 1 2 374.407 3.298 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 ZINC000301108854 497954579 /nfs/dbraw/zinc/95/45/79/497954579.db2.gz XFWXAOWNNMEKER-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000292322879 497969652 /nfs/dbraw/zinc/96/96/52/497969652.db2.gz FOOAHDKKPQKUDH-LLVKDONJSA-N 1 2 357.863 3.262 20 5 FGBDLO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000292322879 497969660 /nfs/dbraw/zinc/96/96/60/497969660.db2.gz FOOAHDKKPQKUDH-LLVKDONJSA-N 1 2 357.863 3.262 20 5 FGBDLO COc1ccc([C@@H](CNc2c(C)cccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301185490 497989374 /nfs/dbraw/zinc/98/93/74/497989374.db2.gz PARLCQQPROPDCZ-LJQANCHMSA-N 1 2 371.437 3.397 20 5 FGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([S@](C)=O)cc1 ZINC000285113606 497997365 /nfs/dbraw/zinc/99/73/65/497997365.db2.gz ABNBXQWXBLUXHM-JUZXBQNTSA-N 1 2 354.378 3.461 20 5 FGBDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285606264 498144096 /nfs/dbraw/zinc/14/40/96/498144096.db2.gz LSEZWEPFYFAHDZ-LBPRGKRZSA-N 1 2 365.384 3.425 20 5 FGBDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285606264 498144092 /nfs/dbraw/zinc/14/40/92/498144092.db2.gz LSEZWEPFYFAHDZ-LBPRGKRZSA-N 1 2 365.384 3.425 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000285666525 498165030 /nfs/dbraw/zinc/16/50/30/498165030.db2.gz TXVBIQLPDQTUBL-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000285666525 498165026 /nfs/dbraw/zinc/16/50/26/498165026.db2.gz TXVBIQLPDQTUBL-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000292869023 498176750 /nfs/dbraw/zinc/17/67/50/498176750.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000292869023 498176758 /nfs/dbraw/zinc/17/67/58/498176758.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869023 498176764 /nfs/dbraw/zinc/17/67/64/498176764.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869023 498176774 /nfs/dbraw/zinc/17/67/74/498176774.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000292869023 498176786 /nfs/dbraw/zinc/17/67/86/498176786.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)c1 ZINC000289726942 498267615 /nfs/dbraw/zinc/26/76/15/498267615.db2.gz DDTKHOAOSOAEFI-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)c1 ZINC000289726942 498267622 /nfs/dbraw/zinc/26/76/22/498267622.db2.gz DDTKHOAOSOAEFI-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000297043500 498301266 /nfs/dbraw/zinc/30/12/66/498301266.db2.gz IAGXXUNFXWWTBP-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000297043500 498301270 /nfs/dbraw/zinc/30/12/70/498301270.db2.gz IAGXXUNFXWWTBP-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO COc1cc(NCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000301870456 498304643 /nfs/dbraw/zinc/30/46/43/498304643.db2.gz CTVYKHOWALQCNQ-UHFFFAOYSA-N 1 2 356.382 3.382 20 5 FGBDLO CCc1nocc1C[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293334151 498350888 /nfs/dbraw/zinc/35/08/88/498350888.db2.gz GSUIVCWOHHLDRR-UHFFFAOYSA-N 1 2 371.340 3.387 20 5 FGBDLO CCc1nocc1C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293334151 498350894 /nfs/dbraw/zinc/35/08/94/498350894.db2.gz GSUIVCWOHHLDRR-UHFFFAOYSA-N 1 2 371.340 3.387 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282436158 498510881 /nfs/dbraw/zinc/51/08/81/498510881.db2.gz USJOUQSBERXNRZ-HNNXBMFYSA-N 1 2 354.410 3.147 20 5 FGBDLO CC1CC[NH+](Cc2csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)CC1 ZINC000294483849 498706794 /nfs/dbraw/zinc/70/67/94/498706794.db2.gz JMLNMMQAGZZLRX-UHFFFAOYSA-N 1 2 354.476 3.149 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(OC[C@@H]4CCOC4)CC3)c2c1 ZINC000576208326 506102117 /nfs/dbraw/zinc/10/21/17/506102117.db2.gz IZONTDDBIHCCJT-CQSZACIVSA-N 1 2 357.410 3.165 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295042210 498890771 /nfs/dbraw/zinc/89/07/71/498890771.db2.gz JIMJVWTWNOAGMK-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366506085 498956521 /nfs/dbraw/zinc/95/65/21/498956521.db2.gz QYOFMDDHIKJSKK-OAHLLOKOSA-N 1 2 350.806 3.230 20 5 FGBDLO Cc1cnc([C@H]2CCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000366633750 499011629 /nfs/dbraw/zinc/01/16/29/499011629.db2.gz SOOISUNOCYIBHL-CQSZACIVSA-N 1 2 360.439 3.186 20 5 FGBDLO Cc1cnc([C@H]2CCCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000366633750 499011632 /nfs/dbraw/zinc/01/16/32/499011632.db2.gz SOOISUNOCYIBHL-CQSZACIVSA-N 1 2 360.439 3.186 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000370161077 499189951 /nfs/dbraw/zinc/18/99/51/499189951.db2.gz JBWDAMWJWXJORJ-CMPLNLGQSA-N 1 2 369.347 3.162 20 5 FGBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000370592047 499234152 /nfs/dbraw/zinc/23/41/52/499234152.db2.gz DYFVWLJBIXLQNH-UHFFFAOYSA-N 1 2 368.397 3.163 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000368549322 499306813 /nfs/dbraw/zinc/30/68/13/499306813.db2.gz ZFKOQJAWICFQPZ-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000368549322 499306814 /nfs/dbraw/zinc/30/68/14/499306814.db2.gz ZFKOQJAWICFQPZ-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009921 499356745 /nfs/dbraw/zinc/35/67/45/499356745.db2.gz ODNNWFOTOVMJQS-KRWDZBQOSA-N 1 2 372.425 3.230 20 5 FGBDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009921 499356747 /nfs/dbraw/zinc/35/67/47/499356747.db2.gz ODNNWFOTOVMJQS-KRWDZBQOSA-N 1 2 372.425 3.230 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000372177104 499406047 /nfs/dbraw/zinc/40/60/47/499406047.db2.gz ZQASJVPXWKNQAW-INIZCTEOSA-N 1 2 357.801 3.256 20 5 FGBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377317136 499679434 /nfs/dbraw/zinc/67/94/34/499679434.db2.gz OXRXLHKTGLMION-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000411775538 499789511 /nfs/dbraw/zinc/78/95/11/499789511.db2.gz YBRFCCDDODYGHB-UHFFFAOYSA-N 1 2 358.398 3.056 20 5 FGBDLO O=C(C1CCCCC1)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413077904 499910806 /nfs/dbraw/zinc/91/08/06/499910806.db2.gz AUWFDGWCZHYNIB-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO CCN(CC)C(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413095182 499912977 /nfs/dbraw/zinc/91/29/77/499912977.db2.gz RHUITSOKHYZGPT-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO O=C1CC[C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@H]2N1C1CC1 ZINC000413200644 499925923 /nfs/dbraw/zinc/92/59/23/499925923.db2.gz JEGWEITYHSGAOE-RDTXWAMCSA-N 1 2 366.421 3.123 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](OCc4ccncc4)C3)c2c1 ZINC000413211132 499927665 /nfs/dbraw/zinc/92/76/65/499927665.db2.gz WMRUPHGPAJOYOC-QGZVFWFLSA-N 1 2 350.378 3.334 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H](c4ccccc4)[C@@](F)(CO)C3)c2c1 ZINC000413317447 499940609 /nfs/dbraw/zinc/94/06/09/499940609.db2.gz QVUFHGFZROLSGF-QUCCMNQESA-N 1 2 367.380 3.447 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cccn3)cc1)CCO2 ZINC000582294195 506179194 /nfs/dbraw/zinc/17/91/94/506179194.db2.gz UYVJFCBWVGZRLK-UHFFFAOYSA-N 1 2 350.378 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cccn3)cc1)CCO2 ZINC000582294195 506179198 /nfs/dbraw/zinc/17/91/98/506179198.db2.gz UYVJFCBWVGZRLK-UHFFFAOYSA-N 1 2 350.378 3.175 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426708149 500309412 /nfs/dbraw/zinc/30/94/12/500309412.db2.gz HGXVLEPTGYOACF-UHFFFAOYSA-N 1 2 366.377 3.135 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1COCc2ccccc21 ZINC000418985713 500333928 /nfs/dbraw/zinc/33/39/28/500333928.db2.gz FWGWOZIWTRTEQF-IBGZPJMESA-N 1 2 369.421 3.110 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436971012 500582495 /nfs/dbraw/zinc/58/24/95/500582495.db2.gz HEAHRNKZWBYAHD-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000436971012 500582496 /nfs/dbraw/zinc/58/24/96/500582496.db2.gz HEAHRNKZWBYAHD-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436971008 500582674 /nfs/dbraw/zinc/58/26/74/500582674.db2.gz HEAHRNKZWBYAHD-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000436971008 500582675 /nfs/dbraw/zinc/58/26/75/500582675.db2.gz HEAHRNKZWBYAHD-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO CSC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000447802779 500664944 /nfs/dbraw/zinc/66/49/44/500664944.db2.gz NSQRXSCUNDMYKW-UHFFFAOYSA-N 1 2 351.472 3.125 20 5 FGBDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000438316591 500768516 /nfs/dbraw/zinc/76/85/16/500768516.db2.gz WRGDHEWAFIPSBI-QGZVFWFLSA-N 1 2 362.813 3.165 20 5 FGBDLO CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC000448761734 500826874 /nfs/dbraw/zinc/82/68/74/500826874.db2.gz QKIWPRCDUISXRE-UHFFFAOYSA-N 1 2 372.410 3.227 20 5 FGBDLO CCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448936920 500873796 /nfs/dbraw/zinc/87/37/96/500873796.db2.gz IYADMQWZLJWXHH-INIZCTEOSA-N 1 2 372.425 3.202 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444703583 500883383 /nfs/dbraw/zinc/88/33/83/500883383.db2.gz ZHADZHQWHMKRBM-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444703583 500883385 /nfs/dbraw/zinc/88/33/85/500883385.db2.gz ZHADZHQWHMKRBM-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214492 501104067 /nfs/dbraw/zinc/10/40/67/501104067.db2.gz YPXONUSOWNDISV-FOIQADDNSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214492 501104071 /nfs/dbraw/zinc/10/40/71/501104071.db2.gz YPXONUSOWNDISV-FOIQADDNSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214493 501104229 /nfs/dbraw/zinc/10/42/29/501104229.db2.gz YPXONUSOWNDISV-MGPUTAFESA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214493 501104231 /nfs/dbraw/zinc/10/42/31/501104231.db2.gz YPXONUSOWNDISV-MGPUTAFESA-N 1 2 372.421 3.444 20 5 FGBDLO COc1cccc2c1cc[nH+]c2N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450411987 501115567 /nfs/dbraw/zinc/11/55/67/501115567.db2.gz YRJFHFMPZVTHMK-CYBMUJFWSA-N 1 2 365.393 3.237 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000446415867 501118990 /nfs/dbraw/zinc/11/89/90/501118990.db2.gz JYJLRMUOUACHHQ-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436409170 501122280 /nfs/dbraw/zinc/12/22/80/501122280.db2.gz NHONYFLCGQVIIE-UHFFFAOYSA-N 1 2 363.421 3.444 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598942839 506236472 /nfs/dbraw/zinc/23/64/72/506236472.db2.gz PEMFRTHLQZSUJG-ORAYPTAESA-N 1 2 369.421 3.357 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)[nH]c2c1 ZINC000450535007 501148147 /nfs/dbraw/zinc/14/81/47/501148147.db2.gz JTUCSOGVVMLUKE-JOCQHMNTSA-N 1 2 352.398 3.123 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598942836 506236992 /nfs/dbraw/zinc/23/69/92/506236992.db2.gz PEMFRTHLQZSUJG-BFUOFWGJSA-N 1 2 369.421 3.357 20 5 FGBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c[nH+]1 ZINC000450903483 501226769 /nfs/dbraw/zinc/22/67/69/501226769.db2.gz CTXIMPWNEDJXCX-UHFFFAOYSA-N 1 2 354.410 3.455 20 5 FGBDLO NC(=O)c1cc(NCc2ccc(N3CCCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596080297 506244620 /nfs/dbraw/zinc/24/46/20/506244620.db2.gz GFAXHWPCCAXNDK-UHFFFAOYSA-N 1 2 369.425 3.081 20 5 FGBDLO Cc1c[nH+]cc(CCc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)c1 ZINC000453234475 501295460 /nfs/dbraw/zinc/29/54/60/501295460.db2.gz IQJDMNGLRVIBBR-UHFFFAOYSA-N 1 2 365.393 3.492 20 5 FGBDLO CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548096 501319699 /nfs/dbraw/zinc/31/96/99/501319699.db2.gz MQUSRXXRABMBKP-OAHLLOKOSA-N 1 2 373.409 3.448 20 5 FGBDLO CCOC(=O)c1c(C)onc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548096 501319703 /nfs/dbraw/zinc/31/97/03/501319703.db2.gz MQUSRXXRABMBKP-OAHLLOKOSA-N 1 2 373.409 3.448 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000453571223 501350414 /nfs/dbraw/zinc/35/04/14/501350414.db2.gz BNSJTVDSWSDFNL-IHWYPQMZSA-N 1 2 360.364 3.103 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000453573423 501351223 /nfs/dbraw/zinc/35/12/23/501351223.db2.gz HACQVPIAWWWRHK-NSCUHMNNSA-N 1 2 360.364 3.103 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)Cc2cn[nH]c2)cc1OC ZINC000611668615 506251103 /nfs/dbraw/zinc/25/11/03/506251103.db2.gz RCSWPCHOCFCWAE-ZDUSSCGKSA-N 1 2 362.430 3.383 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)Cc2cn[nH]c2)cc1OC ZINC000611668615 506251109 /nfs/dbraw/zinc/25/11/09/506251109.db2.gz RCSWPCHOCFCWAE-ZDUSSCGKSA-N 1 2 362.430 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccnc(N4CCCC4)c3)nc2c1 ZINC000602669190 506253926 /nfs/dbraw/zinc/25/39/26/506253926.db2.gz GGYYXWKAIJKDCD-UHFFFAOYSA-N 1 2 353.382 3.021 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1(C)C ZINC000452455166 501504133 /nfs/dbraw/zinc/50/41/33/501504133.db2.gz WNJYCHDYYUMSAN-HNNXBMFYSA-N 1 2 353.382 3.033 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2[nH+]ccn21 ZINC000456398629 501517554 /nfs/dbraw/zinc/51/75/54/501517554.db2.gz CLQVXMGLEGFGRZ-PRHODGIISA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1cc(C)c(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000454551100 501575835 /nfs/dbraw/zinc/57/58/35/501575835.db2.gz MESOLXKOTUCOFJ-UHFFFAOYSA-N 1 2 356.426 3.429 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2[nH+]ccn21 ZINC000459118015 501597339 /nfs/dbraw/zinc/59/73/39/501597339.db2.gz PNZOIVNVIBHVHO-LRDDRELGSA-N 1 2 355.398 3.171 20 5 FGBDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602694579 506264426 /nfs/dbraw/zinc/26/44/26/506264426.db2.gz JBMRUYLYQUXLOE-UHFFFAOYSA-N 1 2 354.332 3.296 20 5 FGBDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602694579 506264431 /nfs/dbraw/zinc/26/44/31/506264431.db2.gz JBMRUYLYQUXLOE-UHFFFAOYSA-N 1 2 354.332 3.296 20 5 FGBDLO CSc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457292112 501677036 /nfs/dbraw/zinc/67/70/36/501677036.db2.gz OAJNCHDCKHBLPJ-UHFFFAOYSA-N 1 2 352.441 3.087 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000457319920 501681469 /nfs/dbraw/zinc/68/14/69/501681469.db2.gz YQZXLEKXKMXPOF-UHFFFAOYSA-N 1 2 374.344 3.384 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000460172036 501747642 /nfs/dbraw/zinc/74/76/42/501747642.db2.gz LIMLWBSGDNFMMN-HNNXBMFYSA-N 1 2 369.421 3.169 20 5 FGBDLO CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000470697975 501772792 /nfs/dbraw/zinc/77/27/92/501772792.db2.gz VJBGSHONKSSMGN-MRXNPFEDSA-N 1 2 360.417 3.145 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)cc1SC ZINC000460333207 501794699 /nfs/dbraw/zinc/79/46/99/501794699.db2.gz GGXBMGCEWIFPHD-UHFFFAOYSA-N 1 2 358.379 3.225 20 5 FGBDLO COc1ccccc1N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599013512 506277983 /nfs/dbraw/zinc/27/79/83/506277983.db2.gz JNTWXQUSPLALHZ-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO Cc1ccn2cc(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH+]c2c1 ZINC000463962201 501864711 /nfs/dbraw/zinc/86/47/11/501864711.db2.gz SUXXXOAEFHQOFN-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950713 501868302 /nfs/dbraw/zinc/86/83/02/501868302.db2.gz VGGIYWUUJVTXRY-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950713 501868304 /nfs/dbraw/zinc/86/83/04/501868304.db2.gz VGGIYWUUJVTXRY-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474649784 501909430 /nfs/dbraw/zinc/90/94/30/501909430.db2.gz JTCJWNTUMLRGHH-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474649784 501909434 /nfs/dbraw/zinc/90/94/34/501909434.db2.gz JTCJWNTUMLRGHH-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH+]1 ZINC000468014729 501930182 /nfs/dbraw/zinc/93/01/82/501930182.db2.gz XBOIIXIDBVFJQU-UHFFFAOYSA-N 1 2 359.773 3.443 20 5 FGBDLO COc1c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cccc1[N+](=O)[O-] ZINC000474878659 501978698 /nfs/dbraw/zinc/97/86/98/501978698.db2.gz LOGNHWWGHRAPDZ-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000464771069 502087174 /nfs/dbraw/zinc/08/71/74/502087174.db2.gz KVOZAAQINGTFBG-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000464771069 502087176 /nfs/dbraw/zinc/08/71/76/502087176.db2.gz KVOZAAQINGTFBG-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482949634 502225682 /nfs/dbraw/zinc/22/56/82/502225682.db2.gz QZNHEDTTZZRVCH-KRWDZBQOSA-N 1 2 355.394 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482949634 502225686 /nfs/dbraw/zinc/22/56/86/502225686.db2.gz QZNHEDTTZZRVCH-KRWDZBQOSA-N 1 2 355.394 3.379 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000462755438 502558202 /nfs/dbraw/zinc/55/82/02/502558202.db2.gz VIMZTTPBVRRSEV-HNNXBMFYSA-N 1 2 352.394 3.128 20 5 FGBDLO CC(=O)N(c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1)C1CC1 ZINC000480483554 502580886 /nfs/dbraw/zinc/58/08/86/502580886.db2.gz PXUPUSBYVHNJKS-UHFFFAOYSA-N 1 2 360.439 3.165 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1C ZINC000488031475 502605580 /nfs/dbraw/zinc/60/55/80/502605580.db2.gz DQDVLTOJBAHJHX-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000488031475 502605585 /nfs/dbraw/zinc/60/55/85/502605585.db2.gz DQDVLTOJBAHJHX-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477058297 502664484 /nfs/dbraw/zinc/66/44/84/502664484.db2.gz PMFDFUKXQUUSCM-QGZVFWFLSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477058297 502664488 /nfs/dbraw/zinc/66/44/88/502664488.db2.gz PMFDFUKXQUUSCM-QGZVFWFLSA-N 1 2 367.833 3.079 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000470176465 502695249 /nfs/dbraw/zinc/69/52/49/502695249.db2.gz LMDDTUISKZBVRE-GDNBJRDFSA-N 1 2 356.426 3.112 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000470176465 502695252 /nfs/dbraw/zinc/69/52/52/502695252.db2.gz LMDDTUISKZBVRE-GDNBJRDFSA-N 1 2 356.426 3.112 20 5 FGBDLO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000513031984 502834285 /nfs/dbraw/zinc/83/42/85/502834285.db2.gz JATFXPNTNGWAMJ-UHFFFAOYSA-N 1 2 373.384 3.290 20 5 FGBDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488994638 502856306 /nfs/dbraw/zinc/85/63/06/502856306.db2.gz RREGDYXZRWYHGC-NSHDSACASA-N 1 2 374.426 3.301 20 5 FGBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266092 502863246 /nfs/dbraw/zinc/86/32/46/502863246.db2.gz XRUZQAMTYVYTNV-CHWSQXEVSA-N 1 2 369.412 3.390 20 5 FGBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266092 502863247 /nfs/dbraw/zinc/86/32/47/502863247.db2.gz XRUZQAMTYVYTNV-CHWSQXEVSA-N 1 2 369.412 3.390 20 5 FGBDLO Cc1csc(CC2(O)CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000602893678 506342043 /nfs/dbraw/zinc/34/20/43/506342043.db2.gz RSEYPXBZIOYTIC-UHFFFAOYSA-N 1 2 365.430 3.068 20 5 FGBDLO COCC[N@H+](Cc1scnc1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000489458874 502963394 /nfs/dbraw/zinc/96/33/94/502963394.db2.gz FIZOHLNFAPVTFQ-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO COCC[N@@H+](Cc1scnc1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000489458874 502963397 /nfs/dbraw/zinc/96/33/97/502963397.db2.gz FIZOHLNFAPVTFQ-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513707449 503005173 /nfs/dbraw/zinc/00/51/73/503005173.db2.gz DARUMUCDZXCBIG-SUMWQHHRSA-N 1 2 374.441 3.128 20 5 FGBDLO COc1ccc(NC(=O)C[NH2+]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000510154952 503060715 /nfs/dbraw/zinc/06/07/15/503060715.db2.gz SFPLTDIUMKMDTA-UHFFFAOYSA-N 1 2 357.357 3.100 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000506326366 503094570 /nfs/dbraw/zinc/09/45/70/503094570.db2.gz LYFVDUCSXHQKMJ-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000506326366 503094573 /nfs/dbraw/zinc/09/45/73/503094573.db2.gz LYFVDUCSXHQKMJ-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510354822 503097840 /nfs/dbraw/zinc/09/78/40/503097840.db2.gz QSBVMVSQILTCGE-KRWDZBQOSA-N 1 2 371.441 3.400 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000510382941 503103671 /nfs/dbraw/zinc/10/36/71/503103671.db2.gz RRCVTFLPUHFOGK-KRWDZBQOSA-N 1 2 369.425 3.154 20 5 FGBDLO Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000514189843 503109195 /nfs/dbraw/zinc/10/91/95/503109195.db2.gz LAINTWYOMXBLRD-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511137311 503265708 /nfs/dbraw/zinc/26/57/08/503265708.db2.gz LMPDFLHRRRQIAW-ZDUSSCGKSA-N 1 2 371.393 3.313 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511137311 503265712 /nfs/dbraw/zinc/26/57/12/503265712.db2.gz LMPDFLHRRRQIAW-ZDUSSCGKSA-N 1 2 371.393 3.313 20 5 FGBDLO Cc1cc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000491134729 503278571 /nfs/dbraw/zinc/27/85/71/503278571.db2.gz WVCPQCJGLXSLNP-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000491134729 503278574 /nfs/dbraw/zinc/27/85/74/503278574.db2.gz WVCPQCJGLXSLNP-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000498926742 503295945 /nfs/dbraw/zinc/29/59/45/503295945.db2.gz FNTJYEBDKZAIEL-UHFFFAOYSA-N 1 2 366.377 3.456 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503045694 503334005 /nfs/dbraw/zinc/33/40/05/503334005.db2.gz DVSYORTZHBYIGM-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503045694 503334011 /nfs/dbraw/zinc/33/40/11/503334011.db2.gz DVSYORTZHBYIGM-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000516796286 503589335 /nfs/dbraw/zinc/58/93/35/503589335.db2.gz SVHXSMASQBNCHE-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cccc(F)c2C1 ZINC000504693855 503605237 /nfs/dbraw/zinc/60/52/37/503605237.db2.gz BLKZUPLDYHKXID-UHFFFAOYSA-N 1 2 366.352 3.118 20 5 FGBDLO CCOC(=O)c1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc([N+](=O)[O-])c1 ZINC000546341177 503718070 /nfs/dbraw/zinc/71/80/70/503718070.db2.gz GLTWAMXESDUQNN-UHFFFAOYSA-N 1 2 368.349 3.116 20 5 FGBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000537026058 503780863 /nfs/dbraw/zinc/78/08/63/503780863.db2.gz SMIZRXDZBGEDKQ-SNVBAGLBSA-N 1 2 365.336 3.171 20 5 FGBDLO CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000540547182 503813157 /nfs/dbraw/zinc/81/31/57/503813157.db2.gz QANUEBFZWIIABD-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000540547182 503813160 /nfs/dbraw/zinc/81/31/60/503813160.db2.gz QANUEBFZWIIABD-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cccn2cc(Cc3noc(CNc4ccccc4[N+](=O)[O-])n3)[nH+]c12 ZINC000547086972 503978472 /nfs/dbraw/zinc/97/84/72/503978472.db2.gz PLPMWARRVPMTRN-UHFFFAOYSA-N 1 2 364.365 3.137 20 5 FGBDLO O=[N+]([O-])c1c(N2CCC(CCCn3cc[nH+]c3)CC2)nc2sccn21 ZINC000541190956 504037129 /nfs/dbraw/zinc/03/71/29/504037129.db2.gz XAXTWISQJRFWBZ-UHFFFAOYSA-N 1 2 360.443 3.197 20 5 FGBDLO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000544514494 504159265 /nfs/dbraw/zinc/15/92/65/504159265.db2.gz ZGJTZXCPRUCFFS-AWEZNQCLSA-N 1 2 368.393 3.298 20 5 FGBDLO CCc1ccc([C@@H]([NH2+]CC(=O)NC(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547710 504171985 /nfs/dbraw/zinc/17/19/85/504171985.db2.gz QRVXUKOFXWEAIM-SFHVURJKSA-N 1 2 359.426 3.344 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)c1 ZINC000541588290 504188271 /nfs/dbraw/zinc/18/82/71/504188271.db2.gz DBGNHSYJNXEMLB-QGZVFWFLSA-N 1 2 351.366 3.281 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535068382 504333324 /nfs/dbraw/zinc/33/33/24/504333324.db2.gz BXXIQNPFRRPMCF-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535068382 504333330 /nfs/dbraw/zinc/33/33/30/504333330.db2.gz BXXIQNPFRRPMCF-UHFFFAOYSA-N 1 2 358.394 3.397 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116053 504363751 /nfs/dbraw/zinc/36/37/51/504363751.db2.gz VZKYPBPMLPOXLT-QSOAKEGCSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C\c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116053 504363757 /nfs/dbraw/zinc/36/37/57/504363757.db2.gz VZKYPBPMLPOXLT-QSOAKEGCSA-N 1 2 358.398 3.320 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000519943271 504388918 /nfs/dbraw/zinc/38/89/18/504388918.db2.gz NSCUFCFMZCNQAH-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000539077571 504465830 /nfs/dbraw/zinc/46/58/30/504465830.db2.gz VESFZSKKSBSODT-MRXNPFEDSA-N 1 2 357.410 3.113 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536019340 504610048 /nfs/dbraw/zinc/61/00/48/504610048.db2.gz WITCLLOLIICMDF-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH+]1 ZINC000532440511 504652450 /nfs/dbraw/zinc/65/24/50/504652450.db2.gz FWNPSERKKBFSPO-UHFFFAOYSA-N 1 2 363.333 3.286 20 5 FGBDLO Cc1[nH]c2cc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)ccc2[nH+]1 ZINC000532440511 504652453 /nfs/dbraw/zinc/65/24/53/504652453.db2.gz FWNPSERKKBFSPO-UHFFFAOYSA-N 1 2 363.333 3.286 20 5 FGBDLO Cc1ccc2[nH+]c(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cn2c1 ZINC000556003321 504777662 /nfs/dbraw/zinc/77/76/62/504777662.db2.gz DJMTTYDLYQAVIK-UHFFFAOYSA-N 1 2 351.366 3.048 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000552926784 504789882 /nfs/dbraw/zinc/78/98/82/504789882.db2.gz YXMAAZTUMAATIJ-PBHICJAKSA-N 1 2 356.426 3.165 20 5 FGBDLO C[C@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000549373027 504803672 /nfs/dbraw/zinc/80/36/72/504803672.db2.gz LSDSGVULJIDKOD-NSHDSACASA-N 1 2 353.382 3.279 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000556170590 504809503 /nfs/dbraw/zinc/80/95/03/504809503.db2.gz IGIFLGPHKBFNKK-AWEZNQCLSA-N 1 2 363.830 3.350 20 5 FGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000565414210 504880363 /nfs/dbraw/zinc/88/03/63/504880363.db2.gz CORILOYNQJIGHI-AWEZNQCLSA-N 1 2 354.410 3.076 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550188336 504988628 /nfs/dbraw/zinc/98/86/28/504988628.db2.gz LTHHFZRTVHTFCR-UHFFFAOYSA-N 1 2 366.171 3.322 20 5 FGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550199009 504990100 /nfs/dbraw/zinc/99/01/00/504990100.db2.gz HJBBPYANLKXADD-UHFFFAOYSA-N 1 2 362.389 3.038 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000560154211 505005219 /nfs/dbraw/zinc/00/52/19/505005219.db2.gz JPSFUZIHIVBCKM-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000557498169 505150595 /nfs/dbraw/zinc/15/05/95/505150595.db2.gz VQQIIWHIZDYONI-LJQANCHMSA-N 1 2 372.428 3.296 20 5 FGBDLO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000555000264 505324835 /nfs/dbraw/zinc/32/48/35/505324835.db2.gz YYNWKSHNLMVFIF-QDMKHBRRSA-N 1 2 372.425 3.104 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561381236 505331173 /nfs/dbraw/zinc/33/11/73/505331173.db2.gz MKGWTELNPXRKAQ-UHFFFAOYSA-N 1 2 357.757 3.140 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000558396123 505376300 /nfs/dbraw/zinc/37/63/00/505376300.db2.gz DVVWOHYDRSGACG-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO Cc1noc(C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000555460515 505435550 /nfs/dbraw/zinc/43/55/50/505435550.db2.gz STYWTPHEPKTYGX-INIZCTEOSA-N 1 2 354.366 3.065 20 5 FGBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000558747763 505482313 /nfs/dbraw/zinc/48/23/13/505482313.db2.gz KXHIUWZINPKDQU-ZDUSSCGKSA-N 1 2 374.441 3.146 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000558747763 505482315 /nfs/dbraw/zinc/48/23/15/505482315.db2.gz KXHIUWZINPKDQU-ZDUSSCGKSA-N 1 2 374.441 3.146 20 5 FGBDLO Cc1cc(OCc2nc(Cc3cn4ccccc4[nH+]3)no2)ccc1[N+](=O)[O-] ZINC000564684891 505491596 /nfs/dbraw/zinc/49/15/96/505491596.db2.gz LNJFZUCRWUFXCA-UHFFFAOYSA-N 1 2 365.349 3.104 20 5 FGBDLO CC[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612077622 506424004 /nfs/dbraw/zinc/42/40/04/506424004.db2.gz DOANZSHKPWTHSE-IBGZPJMESA-N 1 2 374.462 3.378 20 5 FGBDLO CC[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612077622 506424011 /nfs/dbraw/zinc/42/40/11/506424011.db2.gz DOANZSHKPWTHSE-IBGZPJMESA-N 1 2 374.462 3.378 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000612085797 506428336 /nfs/dbraw/zinc/42/83/36/506428336.db2.gz QMBXTHSLRFWPKV-UHFFFAOYSA-N 1 2 366.483 3.271 20 5 FGBDLO O=[N+]([O-])c1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1C(F)(F)F ZINC000589105362 506441754 /nfs/dbraw/zinc/44/17/54/506441754.db2.gz IAVYOJCCQBTPIP-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000596626787 506497466 /nfs/dbraw/zinc/49/74/66/506497466.db2.gz RWJNGONADKVFDZ-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CC2(F)F)CC1 ZINC000593300469 506522660 /nfs/dbraw/zinc/52/26/60/506522660.db2.gz RUPQXAWDERPIGM-UHFFFAOYSA-N 1 2 362.336 3.042 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nnc2ccccn21 ZINC000612463212 506588295 /nfs/dbraw/zinc/58/82/95/506588295.db2.gz DIALJHZVJRNTEJ-QGZVFWFLSA-N 1 2 366.381 3.266 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c2c(c1)COCO2 ZINC000612540303 506616601 /nfs/dbraw/zinc/61/66/01/506616601.db2.gz NYZOMZUTEMGZRN-GOSISDBHSA-N 1 2 362.426 3.242 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c2c(c1)COCO2 ZINC000612540303 506616602 /nfs/dbraw/zinc/61/66/02/506616602.db2.gz NYZOMZUTEMGZRN-GOSISDBHSA-N 1 2 362.426 3.242 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661572 506719585 /nfs/dbraw/zinc/71/95/85/506719585.db2.gz QZFZYCROZVWSDD-NTEUORMPSA-N 1 2 353.426 3.058 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661572 506719591 /nfs/dbraw/zinc/71/95/91/506719591.db2.gz QZFZYCROZVWSDD-NTEUORMPSA-N 1 2 353.426 3.058 20 5 FGBDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609145549 506791252 /nfs/dbraw/zinc/79/12/52/506791252.db2.gz IDRVABLEYBGTJF-ZDUSSCGKSA-N 1 2 356.378 3.417 20 5 FGBDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609145549 506791258 /nfs/dbraw/zinc/79/12/58/506791258.db2.gz IDRVABLEYBGTJF-ZDUSSCGKSA-N 1 2 356.378 3.417 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000583492367 506808452 /nfs/dbraw/zinc/80/84/52/506808452.db2.gz FFIJWNCUZQLTKO-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000583492367 506808457 /nfs/dbraw/zinc/80/84/57/506808457.db2.gz FFIJWNCUZQLTKO-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO CCOC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000609193497 506809033 /nfs/dbraw/zinc/80/90/33/506809033.db2.gz MWWZTVWYXRXHNE-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609233821 506822465 /nfs/dbraw/zinc/82/24/65/506822465.db2.gz JAFQSDYQPCBFSF-LJQANCHMSA-N 1 2 369.421 3.021 20 5 FGBDLO CN(C(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609233821 506822466 /nfs/dbraw/zinc/82/24/66/506822466.db2.gz JAFQSDYQPCBFSF-LJQANCHMSA-N 1 2 369.421 3.021 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000612991275 506854671 /nfs/dbraw/zinc/85/46/71/506854671.db2.gz JTSXUPFRUQUXHU-RIEFBQKVSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000612991275 506854675 /nfs/dbraw/zinc/85/46/75/506854675.db2.gz JTSXUPFRUQUXHU-RIEFBQKVSA-N 1 2 356.382 3.074 20 5 FGBDLO COc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000590570865 506864921 /nfs/dbraw/zinc/86/49/21/506864921.db2.gz GQSIIZRKZKMUQR-LJQANCHMSA-N 1 2 371.437 3.397 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000583646710 506894037 /nfs/dbraw/zinc/89/40/37/506894037.db2.gz GBWUQSAUIVAMRQ-KRWDZBQOSA-N 1 2 358.348 3.486 20 5 FGBDLO Cc1cn2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2[nH+]1 ZINC000610032874 507077048 /nfs/dbraw/zinc/07/70/48/507077048.db2.gz RRRMPODMJNYBRN-UHFFFAOYSA-N 1 2 366.786 3.005 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)o2)c1 ZINC000594509880 507161302 /nfs/dbraw/zinc/16/13/02/507161302.db2.gz JCMJAXJPNWDPND-INIZCTEOSA-N 1 2 369.381 3.114 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594511486 507162689 /nfs/dbraw/zinc/16/26/89/507162689.db2.gz OBBQOOSBYNQCMM-JLJPHGGASA-N 1 2 371.441 3.065 20 5 FGBDLO CSc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610434656 507238032 /nfs/dbraw/zinc/23/80/32/507238032.db2.gz FJDOTWSUFOTWHD-UHFFFAOYSA-N 1 2 370.434 3.245 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1sccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148885 507277309 /nfs/dbraw/zinc/27/73/09/507277309.db2.gz HIYBUQMULTWEBW-AWEZNQCLSA-N 1 2 371.256 3.416 20 5 FGBDLO Cc1cc[nH+]c([C@H]2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C2)c1 ZINC000601187145 507290999 /nfs/dbraw/zinc/29/09/99/507290999.db2.gz PAKBSZFHMSAGBM-JTQLQIEISA-N 1 2 355.320 3.044 20 5 FGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094172 507388136 /nfs/dbraw/zinc/38/81/36/507388136.db2.gz HSQRPZKNBUZOTD-MSOLQXFVSA-N 1 2 358.442 3.213 20 5 FGBDLO CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000598437322 507427029 /nfs/dbraw/zinc/42/70/29/507427029.db2.gz IYKIBJRYVXAPBB-SFHVURJKSA-N 1 2 372.425 3.106 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000595293734 507451950 /nfs/dbraw/zinc/45/19/50/507451950.db2.gz FSTWGHFZDOWLIF-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595504632 507534172 /nfs/dbraw/zinc/53/41/72/507534172.db2.gz KUJZDAWCTDFDCJ-UHFFFAOYSA-N 1 2 363.364 3.291 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595504632 507534180 /nfs/dbraw/zinc/53/41/80/507534180.db2.gz KUJZDAWCTDFDCJ-UHFFFAOYSA-N 1 2 363.364 3.291 20 5 FGBDLO CSc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000595504676 507534223 /nfs/dbraw/zinc/53/42/23/507534223.db2.gz GJRUCXIGMYUOJD-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO COc1ccc(NC(=O)C[NH2+][C@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598651408 507534767 /nfs/dbraw/zinc/53/47/67/507534767.db2.gz YLVVJQDXTOMMMN-INIZCTEOSA-N 1 2 371.384 3.346 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974498 507535348 /nfs/dbraw/zinc/53/53/48/507535348.db2.gz KHRLFQPWRDPZRH-LBPRGKRZSA-N 1 2 365.174 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601974498 507535350 /nfs/dbraw/zinc/53/53/50/507535350.db2.gz KHRLFQPWRDPZRH-LBPRGKRZSA-N 1 2 365.174 3.213 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222060 507567716 /nfs/dbraw/zinc/56/77/16/507567716.db2.gz IIHACORYDWVJPR-JKSUJKDBSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222060 507567724 /nfs/dbraw/zinc/56/77/24/507567724.db2.gz IIHACORYDWVJPR-JKSUJKDBSA-N 1 2 362.817 3.127 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(OC)c1 ZINC000611252204 507582112 /nfs/dbraw/zinc/58/21/12/507582112.db2.gz LKWIHOCCFXWIMN-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(OC)c1 ZINC000611252204 507582119 /nfs/dbraw/zinc/58/21/19/507582119.db2.gz LKWIHOCCFXWIMN-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268181 507592257 /nfs/dbraw/zinc/59/22/57/507592257.db2.gz ICOUVNXYEUGUBX-UHFFFAOYSA-N 1 2 374.422 3.016 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268181 507592261 /nfs/dbraw/zinc/59/22/61/507592261.db2.gz ICOUVNXYEUGUBX-UHFFFAOYSA-N 1 2 374.422 3.016 20 5 FGBDLO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602131550 507603119 /nfs/dbraw/zinc/60/31/19/507603119.db2.gz DZRKKMHUSWCPOH-ZWNOBZJWSA-N 1 2 356.304 3.162 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000602152723 507607906 /nfs/dbraw/zinc/60/79/06/507607906.db2.gz RYMWFXGZXUGWFC-SFHVURJKSA-N 1 2 369.421 3.433 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000602152723 507607913 /nfs/dbraw/zinc/60/79/13/507607913.db2.gz RYMWFXGZXUGWFC-SFHVURJKSA-N 1 2 369.421 3.433 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1nc3sccn3c1[N+](=O)[O-])CCCC2 ZINC000614771974 507647501 /nfs/dbraw/zinc/64/75/01/507647501.db2.gz YROBOJFRKFLMME-CYBMUJFWSA-N 1 2 372.454 3.258 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1nc3sccn3c1[N+](=O)[O-])CCCC2 ZINC000614771975 507649013 /nfs/dbraw/zinc/64/90/13/507649013.db2.gz YROBOJFRKFLMME-ZDUSSCGKSA-N 1 2 372.454 3.258 20 5 FGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1nnc2n1CCCCC2 ZINC000595799253 507692667 /nfs/dbraw/zinc/69/26/67/507692667.db2.gz KGQMOPOXPBMKHJ-CQSZACIVSA-N 1 2 359.430 3.162 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587057423 507705642 /nfs/dbraw/zinc/70/56/42/507705642.db2.gz WCMJZUGVSXCRNO-ZDUSSCGKSA-N 1 2 374.466 3.428 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000007315018 695566765 /nfs/dbraw/zinc/56/67/65/695566765.db2.gz PTNZOXTWPLWMSM-NSHDSACASA-N 1 2 365.411 3.105 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000007315018 695566767 /nfs/dbraw/zinc/56/67/67/695566767.db2.gz PTNZOXTWPLWMSM-NSHDSACASA-N 1 2 365.411 3.105 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152634359 704968728 /nfs/dbraw/zinc/96/87/28/704968728.db2.gz YFUIXLICJARUDE-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000153754238 705010950 /nfs/dbraw/zinc/01/09/50/705010950.db2.gz UBHYUYGKVWIGJO-MSOLQXFVSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000153754238 705010959 /nfs/dbraw/zinc/01/09/59/705010959.db2.gz UBHYUYGKVWIGJO-MSOLQXFVSA-N 1 2 362.813 3.355 20 5 FGBDLO Cc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)sc1C ZINC000174686492 705514340 /nfs/dbraw/zinc/51/43/40/705514340.db2.gz BOQXWASMVCMCBA-UHFFFAOYSA-N 1 2 358.379 3.211 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1F ZINC000192586778 712867659 /nfs/dbraw/zinc/86/76/59/712867659.db2.gz VYAPZDFCRVKCGH-CQSZACIVSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccccc1F ZINC000192586778 712867660 /nfs/dbraw/zinc/86/76/60/712867660.db2.gz VYAPZDFCRVKCGH-CQSZACIVSA-N 1 2 368.792 3.259 20 5 FGBDLO O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488947048 714101415 /nfs/dbraw/zinc/10/14/15/714101415.db2.gz RPURAEYRGDVPQO-GFCCVEGCSA-N 1 2 350.325 3.088 20 5 FGBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000802788294 724406929 /nfs/dbraw/zinc/40/69/29/724406929.db2.gz VHAIGNOMGIYBLA-UHFFFAOYSA-N 1 2 357.288 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](OC(F)F)C3)c2)cc1 ZINC000781152118 724532410 /nfs/dbraw/zinc/53/24/10/724532410.db2.gz MGYCCSLMWNFUTR-OAHLLOKOSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@H](OC(F)F)C3)c2)cc1 ZINC000781152118 724532413 /nfs/dbraw/zinc/53/24/13/724532413.db2.gz MGYCCSLMWNFUTR-OAHLLOKOSA-N 1 2 352.341 3.119 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000746662715 722612833 /nfs/dbraw/zinc/61/28/33/722612833.db2.gz GVEDNPKQSUZYRQ-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000746662715 722612834 /nfs/dbraw/zinc/61/28/34/722612834.db2.gz GVEDNPKQSUZYRQ-CPUCHLNUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000754697300 722944608 /nfs/dbraw/zinc/94/46/08/722944608.db2.gz AIEVKOFPAKFRRW-JTQLQIEISA-N 1 2 356.407 3.154 20 5 FGBDLO Nc1cc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000792119013 723313380 /nfs/dbraw/zinc/31/33/80/723313380.db2.gz ITQUKWWQAKUMGA-UHFFFAOYSA-N 1 2 353.787 3.061 20 5 FGBDLO COCC1(C)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773720984 723816336 /nfs/dbraw/zinc/81/63/36/723816336.db2.gz CNNJWPXFCSWMIN-GFCCVEGCSA-N 1 2 369.849 3.324 20 5 FGBDLO COc1csc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170261 726846187 /nfs/dbraw/zinc/84/61/87/726846187.db2.gz AWWJQBVPFCWUCJ-AWEZNQCLSA-N 1 2 362.407 3.096 20 5 FGBDLO COc1csc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000813170261 726846190 /nfs/dbraw/zinc/84/61/90/726846190.db2.gz AWWJQBVPFCWUCJ-AWEZNQCLSA-N 1 2 362.407 3.096 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000827725303 729433829 /nfs/dbraw/zinc/43/38/29/729433829.db2.gz JBLKYPSEZMPUQI-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000827725303 729433830 /nfs/dbraw/zinc/43/38/30/729433830.db2.gz JBLKYPSEZMPUQI-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836763101 729968902 /nfs/dbraw/zinc/96/89/02/729968902.db2.gz FXURLQMGGYKKLB-BDJLRTHQSA-N 1 2 362.817 3.476 20 5 FGBDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000841891716 730283160 /nfs/dbraw/zinc/28/31/60/730283160.db2.gz TYPLWRYDEJAZLO-UHFFFAOYSA-N 1 2 363.292 3.046 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000844377275 730709979 /nfs/dbraw/zinc/70/99/79/730709979.db2.gz DSOGBHGDPSCVNB-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000844377275 730709982 /nfs/dbraw/zinc/70/99/82/730709982.db2.gz DSOGBHGDPSCVNB-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471247 730723028 /nfs/dbraw/zinc/72/30/28/730723028.db2.gz OYWGEKOVMWPEPO-XPTSAGLGSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471247 730723033 /nfs/dbraw/zinc/72/30/33/730723033.db2.gz OYWGEKOVMWPEPO-XPTSAGLGSA-N 1 2 359.760 3.306 20 5 FGBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000844718103 730757252 /nfs/dbraw/zinc/75/72/52/730757252.db2.gz FFLLZZQULNWUAO-UHFFFAOYSA-N 1 2 358.295 3.268 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000856722365 732044647 /nfs/dbraw/zinc/04/46/47/732044647.db2.gz WFISTRQKBGYXGV-UHFFFAOYSA-N 1 2 366.215 3.273 20 5 FGBDLO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000856805039 732063197 /nfs/dbraw/zinc/06/31/97/732063197.db2.gz IFHFRYAZJDWIST-LBPRGKRZSA-N 1 2 357.248 3.340 20 5 FGBDLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000856805039 732063198 /nfs/dbraw/zinc/06/31/98/732063198.db2.gz IFHFRYAZJDWIST-LBPRGKRZSA-N 1 2 357.248 3.340 20 5 FGBDLO CC(C)(O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000877754337 736714406 /nfs/dbraw/zinc/71/44/06/736714406.db2.gz BMQKSMKEDXUGPZ-UHFFFAOYSA-N 1 2 357.248 3.340 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963165 737091783 /nfs/dbraw/zinc/09/17/83/737091783.db2.gz YAERRXUFLOTJNE-RYUDHWBXSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963165 737091786 /nfs/dbraw/zinc/09/17/86/737091786.db2.gz YAERRXUFLOTJNE-RYUDHWBXSA-N 1 2 369.849 3.058 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000881538424 737348738 /nfs/dbraw/zinc/34/87/38/737348738.db2.gz IDRMEJMHOWLBTF-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000893266411 742132896 /nfs/dbraw/zinc/13/28/96/742132896.db2.gz PIKWXFXGSGQQCD-UHFFFAOYSA-N 1 2 362.817 3.088 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)n1 ZINC000895484501 742417999 /nfs/dbraw/zinc/41/79/99/742417999.db2.gz KWRYDADQFVZTQV-UHFFFAOYSA-N 1 2 358.370 3.326 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896933914 742618072 /nfs/dbraw/zinc/61/80/72/742618072.db2.gz DMYKBWRTFLKSRW-HWKANZROSA-N 1 2 352.316 3.339 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000896933914 742618074 /nfs/dbraw/zinc/61/80/74/742618074.db2.gz DMYKBWRTFLKSRW-HWKANZROSA-N 1 2 352.316 3.339 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000897333653 742669623 /nfs/dbraw/zinc/66/96/23/742669623.db2.gz JBEVFKXDYOABBT-UHFFFAOYSA-N 1 2 371.260 3.194 20 5 FGBDLO COc1ccc(C[N@@H+]2CCCSC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000933980110 761513737 /nfs/dbraw/zinc/51/37/37/761513737.db2.gz BSTZBZHLAMVQMV-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1ccc(C[N@H+]2CCCSC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000933980110 761513741 /nfs/dbraw/zinc/51/37/41/761513741.db2.gz BSTZBZHLAMVQMV-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068171302 493771213 /nfs/dbraw/zinc/77/12/13/493771213.db2.gz YLGTUEXTQSDYCW-CYBMUJFWSA-N 1 2 351.366 3.009 20 5 FGBDLO CCOc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000080772627 493777799 /nfs/dbraw/zinc/77/77/99/493777799.db2.gz OCXSEKADRVWPQB-AWEZNQCLSA-N 1 2 372.425 3.226 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028694914 493798282 /nfs/dbraw/zinc/79/82/82/493798282.db2.gz YURCCDSCZXORKL-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000081318178 493868332 /nfs/dbraw/zinc/86/83/32/493868332.db2.gz XWGVDZUCKQAPDZ-ZDUSSCGKSA-N 1 2 356.407 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000051451931 493970427 /nfs/dbraw/zinc/97/04/27/493970427.db2.gz IYZQAUVYOOYIJX-MRXNPFEDSA-N 1 2 357.341 3.037 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000069618178 493989129 /nfs/dbraw/zinc/98/91/29/493989129.db2.gz DJPWXMUFIMWNSK-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccnc1 ZINC000032638907 494002017 /nfs/dbraw/zinc/00/20/17/494002017.db2.gz PKYFUXDEMPHJQX-MRXNPFEDSA-N 1 2 363.377 3.153 20 5 FGBDLO C[N@H+](CC(=O)N1CCC[C@H]1c1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589756 494044191 /nfs/dbraw/zinc/04/41/91/494044191.db2.gz IUSVKCDBHGIEOI-INIZCTEOSA-N 1 2 359.451 3.452 20 5 FGBDLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589756 494044193 /nfs/dbraw/zinc/04/41/93/494044193.db2.gz IUSVKCDBHGIEOI-INIZCTEOSA-N 1 2 359.451 3.452 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000008120521 494069301 /nfs/dbraw/zinc/06/93/01/494069301.db2.gz GUIXAKWDIKNUCW-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000008120521 494069305 /nfs/dbraw/zinc/06/93/05/494069305.db2.gz GUIXAKWDIKNUCW-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000052865582 494069910 /nfs/dbraw/zinc/06/99/10/494069910.db2.gz YFJTXSHFVIWWBV-QGZVFWFLSA-N 1 2 369.421 3.215 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000052865582 494069911 /nfs/dbraw/zinc/06/99/11/494069911.db2.gz YFJTXSHFVIWWBV-QGZVFWFLSA-N 1 2 369.421 3.215 20 5 FGBDLO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053814852 494169609 /nfs/dbraw/zinc/16/96/09/494169609.db2.gz JHDSZHAQKVIULO-UHFFFAOYSA-N 1 2 353.378 3.028 20 5 FGBDLO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053814852 494169612 /nfs/dbraw/zinc/16/96/12/494169612.db2.gz JHDSZHAQKVIULO-UHFFFAOYSA-N 1 2 353.378 3.028 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605244 494251436 /nfs/dbraw/zinc/25/14/36/494251436.db2.gz DIRFSNIZPVQMFP-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605244 494251438 /nfs/dbraw/zinc/25/14/38/494251438.db2.gz DIRFSNIZPVQMFP-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000044633529 494370340 /nfs/dbraw/zinc/37/03/40/494370340.db2.gz KWFJAALYWOMUEP-OAHLLOKOSA-N 1 2 367.365 3.054 20 5 FGBDLO O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055655767 494382352 /nfs/dbraw/zinc/38/23/52/494382352.db2.gz SEDCZQLORWGCHP-MRXNPFEDSA-N 1 2 366.352 3.337 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000073603599 494397651 /nfs/dbraw/zinc/39/76/51/494397651.db2.gz ANCILJYVOLSBPL-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000073603599 494397655 /nfs/dbraw/zinc/39/76/55/494397655.db2.gz ANCILJYVOLSBPL-INIZCTEOSA-N 1 2 353.382 3.320 20 5 FGBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853018 494426478 /nfs/dbraw/zinc/42/64/78/494426478.db2.gz RIWWFVGEMCRFOK-KUHUBIRLSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853018 494426484 /nfs/dbraw/zinc/42/64/84/494426484.db2.gz RIWWFVGEMCRFOK-KUHUBIRLSA-N 1 2 370.405 3.423 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1F ZINC000022262634 494518590 /nfs/dbraw/zinc/51/85/90/494518590.db2.gz FFTCSZUKUDAPBR-GFCCVEGCSA-N 1 2 372.385 3.378 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000022289490 494519746 /nfs/dbraw/zinc/51/97/46/494519746.db2.gz DVHYBBBCUDPQNT-UHFFFAOYSA-N 1 2 352.441 3.351 20 5 FGBDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376437 494526804 /nfs/dbraw/zinc/52/68/04/494526804.db2.gz CAEFFGHOYQEFHC-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376437 494526807 /nfs/dbraw/zinc/52/68/07/494526807.db2.gz CAEFFGHOYQEFHC-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000074768680 494596473 /nfs/dbraw/zinc/59/64/73/494596473.db2.gz YNLNUQJSNLNRML-UHFFFAOYSA-N 1 2 355.442 3.436 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131490525 494637198 /nfs/dbraw/zinc/63/71/98/494637198.db2.gz CAFSFNMBJSMLBO-VIFPVBQESA-N 1 2 351.746 3.058 20 5 FGBDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047189302 494652582 /nfs/dbraw/zinc/65/25/82/494652582.db2.gz HUDXBIIGQLBTJU-KSSFIOAISA-N 1 2 372.425 3.106 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815118 494689501 /nfs/dbraw/zinc/68/95/01/494689501.db2.gz VZTGPVLLGHYODP-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815118 494689507 /nfs/dbraw/zinc/68/95/07/494689507.db2.gz VZTGPVLLGHYODP-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCN(c4cccs4)CC3)n2)cc1 ZINC000121300988 494690174 /nfs/dbraw/zinc/69/01/74/494690174.db2.gz MGIPCVRYMNEHJP-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131703646 494704422 /nfs/dbraw/zinc/70/44/22/494704422.db2.gz HOADPTLVHUXIEL-HNNXBMFYSA-N 1 2 356.382 3.292 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000126326279 494710732 /nfs/dbraw/zinc/71/07/32/494710732.db2.gz AIAAEMAFXFTAIO-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000025372622 494731427 /nfs/dbraw/zinc/73/14/27/494731427.db2.gz HPHMUFJCJCEYHI-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126494322 494770062 /nfs/dbraw/zinc/77/00/62/494770062.db2.gz CPWYTGXZHUQBMO-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126494322 494770067 /nfs/dbraw/zinc/77/00/67/494770067.db2.gz CPWYTGXZHUQBMO-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348706 494820190 /nfs/dbraw/zinc/82/01/90/494820190.db2.gz FHNXYTAPMXCCFN-ZDUSSCGKSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348706 494820194 /nfs/dbraw/zinc/82/01/94/494820194.db2.gz FHNXYTAPMXCCFN-ZDUSSCGKSA-N 1 2 361.829 3.385 20 5 FGBDLO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026347913 494820452 /nfs/dbraw/zinc/82/04/52/494820452.db2.gz JCMXVZRHVMQKLY-UHFFFAOYSA-N 1 2 357.435 3.166 20 5 FGBDLO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026347913 494820455 /nfs/dbraw/zinc/82/04/55/494820455.db2.gz JCMXVZRHVMQKLY-UHFFFAOYSA-N 1 2 357.435 3.166 20 5 FGBDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338323 494872051 /nfs/dbraw/zinc/87/20/51/494872051.db2.gz JPFRRDUABUGBCS-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338323 494872057 /nfs/dbraw/zinc/87/20/57/494872057.db2.gz JPFRRDUABUGBCS-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420710 494890454 /nfs/dbraw/zinc/89/04/54/494890454.db2.gz LCXVUDLAYGMPQJ-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420710 494890455 /nfs/dbraw/zinc/89/04/55/494890455.db2.gz LCXVUDLAYGMPQJ-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000117330999 494911087 /nfs/dbraw/zinc/91/10/87/494911087.db2.gz KHGANWXITOLHRE-UHFFFAOYSA-N 1 2 365.393 3.436 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000117752285 494952228 /nfs/dbraw/zinc/95/22/28/494952228.db2.gz OXJDWHFTCYFJFI-UHFFFAOYSA-N 1 2 374.828 3.102 20 5 FGBDLO CCc1nn(C)c(NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000094137548 494953867 /nfs/dbraw/zinc/95/38/67/494953867.db2.gz MEHCKGBMLNGADS-UHFFFAOYSA-N 1 2 358.446 3.278 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000133163547 494979266 /nfs/dbraw/zinc/97/92/66/494979266.db2.gz UMKOLWIEZUJVIR-WBVHZDCISA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000133163547 494979270 /nfs/dbraw/zinc/97/92/70/494979270.db2.gz UMKOLWIEZUJVIR-WBVHZDCISA-N 1 2 361.348 3.048 20 5 FGBDLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000111376502 495069587 /nfs/dbraw/zinc/06/95/87/495069587.db2.gz JQHLUOIZRSZYQQ-RISCZKNCSA-N 1 2 360.439 3.070 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129987185 495324319 /nfs/dbraw/zinc/32/43/19/495324319.db2.gz INUXHYCPZAZUKC-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129987185 495324324 /nfs/dbraw/zinc/32/43/24/495324324.db2.gz INUXHYCPZAZUKC-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000105159836 495341916 /nfs/dbraw/zinc/34/19/16/495341916.db2.gz METSGOUUGGEHMB-AWEZNQCLSA-N 1 2 357.414 3.242 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCCNc1cccc[nH+]1 ZINC000130205708 495356349 /nfs/dbraw/zinc/35/63/49/495356349.db2.gz GCQTXPHRQHIBQF-UHFFFAOYSA-N 1 2 367.409 3.022 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000114804280 495428286 /nfs/dbraw/zinc/42/82/86/495428286.db2.gz KYKZKVDAUJOMQW-OAHLLOKOSA-N 1 2 369.425 3.209 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000140220107 495490746 /nfs/dbraw/zinc/49/07/46/495490746.db2.gz HXKAOUQKSLWGIA-LJQANCHMSA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000140220107 495490749 /nfs/dbraw/zinc/49/07/49/495490749.db2.gz HXKAOUQKSLWGIA-LJQANCHMSA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000159074449 495650550 /nfs/dbraw/zinc/65/05/50/495650550.db2.gz OUHNFNKNGBHPMD-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)o1 ZINC000159074449 495650556 /nfs/dbraw/zinc/65/05/56/495650556.db2.gz OUHNFNKNGBHPMD-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000580613019 505797491 /nfs/dbraw/zinc/79/74/91/505797491.db2.gz UZWBZWZPJVQQFS-HNNXBMFYSA-N 1 2 364.405 3.260 20 5 FGBDLO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159887663 495832470 /nfs/dbraw/zinc/83/24/70/495832470.db2.gz SFCZNQZXEGUSBX-UHFFFAOYSA-N 1 2 352.394 3.162 20 5 FGBDLO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159887663 495832475 /nfs/dbraw/zinc/83/24/75/495832475.db2.gz SFCZNQZXEGUSBX-UHFFFAOYSA-N 1 2 352.394 3.162 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151524996 495867111 /nfs/dbraw/zinc/86/71/11/495867111.db2.gz PFWPLXNVTIWRIN-AWEZNQCLSA-N 1 2 357.414 3.123 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186204243 495895559 /nfs/dbraw/zinc/89/55/59/495895559.db2.gz UDUZICLPMNZNMI-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186204243 495895563 /nfs/dbraw/zinc/89/55/63/495895563.db2.gz UDUZICLPMNZNMI-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000186354526 495961736 /nfs/dbraw/zinc/96/17/36/495961736.db2.gz FBTSLBGRDCPNHB-UHFFFAOYSA-N 1 2 373.413 3.051 20 5 FGBDLO CC(C)n1ncc2cc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC000577945764 505824841 /nfs/dbraw/zinc/82/48/41/505824841.db2.gz ZTMYTYFDTYQPSN-UHFFFAOYSA-N 1 2 367.409 3.315 20 5 FGBDLO CC(C)n1ncc2cc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cnc21 ZINC000577945764 505824846 /nfs/dbraw/zinc/82/48/46/505824846.db2.gz ZTMYTYFDTYQPSN-UHFFFAOYSA-N 1 2 367.409 3.315 20 5 FGBDLO CCNC(=O)C(C)(C)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161334646 496154082 /nfs/dbraw/zinc/15/40/82/496154082.db2.gz JTDVWUVNUPVOJJ-UHFFFAOYSA-N 1 2 371.441 3.188 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000161515364 496190152 /nfs/dbraw/zinc/19/01/52/496190152.db2.gz DEJZLQPFKSQLCC-AWEZNQCLSA-N 1 2 369.381 3.266 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169811 496193421 /nfs/dbraw/zinc/19/34/21/496193421.db2.gz DQRZVEHHOUFFEM-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169811 496193423 /nfs/dbraw/zinc/19/34/23/496193423.db2.gz DQRZVEHHOUFFEM-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178029266 496295255 /nfs/dbraw/zinc/29/52/55/496295255.db2.gz BZANWHDFKBPTQK-BBRMVZONSA-N 1 2 360.439 3.185 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175228139 496300247 /nfs/dbraw/zinc/30/02/47/496300247.db2.gz CZMJRIPWLDSTMQ-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184276627 496316520 /nfs/dbraw/zinc/31/65/20/496316520.db2.gz AUIXURUEHDBLIG-GHMZBOCLSA-N 1 2 364.427 3.046 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000175272499 496316744 /nfs/dbraw/zinc/31/67/44/496316744.db2.gz CFCZZXOLBQEEKJ-RHSMWYFYSA-N 1 2 369.421 3.083 20 5 FGBDLO Cc1c(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000162289706 496330387 /nfs/dbraw/zinc/33/03/87/496330387.db2.gz LGEDQKFTARJKFL-UHFFFAOYSA-N 1 2 354.341 3.409 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000184356571 496348743 /nfs/dbraw/zinc/34/87/43/496348743.db2.gz LRTKAGNIHOMIDE-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153274157 496405016 /nfs/dbraw/zinc/40/50/16/496405016.db2.gz SSAZDFOAQNAACS-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153274157 496405020 /nfs/dbraw/zinc/40/50/20/496405020.db2.gz SSAZDFOAQNAACS-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1(c2ccccc2)CCC1 ZINC000153330775 496422174 /nfs/dbraw/zinc/42/21/74/496422174.db2.gz OSEHGXUBZMNFIU-UHFFFAOYSA-N 1 2 365.433 3.149 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1(c2ccccc2)CCC1 ZINC000153330775 496422179 /nfs/dbraw/zinc/42/21/79/496422179.db2.gz OSEHGXUBZMNFIU-UHFFFAOYSA-N 1 2 365.433 3.149 20 5 FGBDLO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000178428031 496452664 /nfs/dbraw/zinc/45/26/64/496452664.db2.gz CBJGTBSYSYLTOP-UHFFFAOYSA-N 1 2 351.834 3.225 20 5 FGBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184624089 496468421 /nfs/dbraw/zinc/46/84/21/496468421.db2.gz ISKUOUDDKINQBT-QMTHXVAHSA-N 1 2 367.789 3.146 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000187513068 496471196 /nfs/dbraw/zinc/47/11/96/496471196.db2.gz TZAAWBWGUXUXPZ-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184752050 496518151 /nfs/dbraw/zinc/51/81/51/496518151.db2.gz DGZYYXZZCUPWNP-CYBMUJFWSA-N 1 2 367.789 3.065 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000157939848 496590686 /nfs/dbraw/zinc/59/06/86/496590686.db2.gz JTHJRAXPRAQSOM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000157939848 496590694 /nfs/dbraw/zinc/59/06/94/496590694.db2.gz JTHJRAXPRAQSOM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153888134 496614038 /nfs/dbraw/zinc/61/40/38/496614038.db2.gz GWAPEDOIFUIAQS-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153888134 496614047 /nfs/dbraw/zinc/61/40/47/496614047.db2.gz GWAPEDOIFUIAQS-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cc(C)c([N+](=O)[O-])cc3F)c2cc1C ZINC000185103735 496662063 /nfs/dbraw/zinc/66/20/63/496662063.db2.gz TXNKEAYVSQMQEN-AWEZNQCLSA-N 1 2 373.384 3.449 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCO2 ZINC000182266379 496723440 /nfs/dbraw/zinc/72/34/40/496723440.db2.gz GVOSMTBDWAGJLA-NSHDSACASA-N 1 2 368.349 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195017486 496793017 /nfs/dbraw/zinc/79/30/17/496793017.db2.gz SOTABAZRESTKJF-SFHVURJKSA-N 1 2 360.435 3.315 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195017486 496793020 /nfs/dbraw/zinc/79/30/20/496793020.db2.gz SOTABAZRESTKJF-SFHVURJKSA-N 1 2 360.435 3.315 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265132852 497054807 /nfs/dbraw/zinc/05/48/07/497054807.db2.gz HIGNJVISGMMYMB-HNNXBMFYSA-N 1 2 369.425 3.209 20 5 FGBDLO CC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000279330112 497408081 /nfs/dbraw/zinc/40/80/81/497408081.db2.gz PICRWOQIFUIIPF-UHFFFAOYSA-N 1 2 360.439 3.138 20 5 FGBDLO Cc1cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000193616745 497429628 /nfs/dbraw/zinc/42/96/28/497429628.db2.gz QBBPXAPAZWOCBQ-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000245649008 497488445 /nfs/dbraw/zinc/48/84/45/497488445.db2.gz CWRQKIWLPSQLGR-IUODEOHRSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000245649008 497488446 /nfs/dbraw/zinc/48/84/46/497488446.db2.gz CWRQKIWLPSQLGR-IUODEOHRSA-N 1 2 367.377 3.110 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279955239 497600858 /nfs/dbraw/zinc/60/08/58/497600858.db2.gz XYFQWVXYVGEFTN-OAHLLOKOSA-N 1 2 364.442 3.152 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279955239 497600864 /nfs/dbraw/zinc/60/08/64/497600864.db2.gz XYFQWVXYVGEFTN-OAHLLOKOSA-N 1 2 364.442 3.152 20 5 FGBDLO COCc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272470069 497637513 /nfs/dbraw/zinc/63/75/13/497637513.db2.gz ABRMONRZTHISQF-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272572854 497666238 /nfs/dbraw/zinc/66/62/38/497666238.db2.gz DCISKQDTIAPTKJ-MRXNPFEDSA-N 1 2 373.413 3.001 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272572854 497666245 /nfs/dbraw/zinc/66/62/45/497666245.db2.gz DCISKQDTIAPTKJ-MRXNPFEDSA-N 1 2 373.413 3.001 20 5 FGBDLO CC(=O)N1CCC[C@H](CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000280494763 497771257 /nfs/dbraw/zinc/77/12/57/497771257.db2.gz OUDXBUYEKRCAAB-OAHLLOKOSA-N 1 2 369.425 3.031 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000296169854 497941782 /nfs/dbraw/zinc/94/17/82/497941782.db2.gz LJKNILHLHUXBJT-HNNXBMFYSA-N 1 2 362.817 3.134 20 5 FGBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569537405 505957837 /nfs/dbraw/zinc/95/78/37/505957837.db2.gz DESIZKVWHKOXMP-CQSZACIVSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1cc(NC[C@@H](O)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301189143 497990697 /nfs/dbraw/zinc/99/06/97/497990697.db2.gz KXKWNBKKFMFXLN-SFHVURJKSA-N 1 2 364.405 3.376 20 5 FGBDLO COc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301380021 498083259 /nfs/dbraw/zinc/08/32/59/498083259.db2.gz YIDIBKXFRQAVBD-GOSISDBHSA-N 1 2 357.410 3.089 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317000 498102041 /nfs/dbraw/zinc/10/20/41/498102041.db2.gz IMSNMFDFGBAVDR-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281317000 498102048 /nfs/dbraw/zinc/10/20/48/498102048.db2.gz IMSNMFDFGBAVDR-DGCLKSJQSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(NCc2cn3cc(Br)ccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000301423071 498104105 /nfs/dbraw/zinc/10/41/05/498104105.db2.gz GAUAALQWVDWVOQ-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000281366302 498121972 /nfs/dbraw/zinc/12/19/72/498121972.db2.gz CDZDIRPAVUMRTH-HNNXBMFYSA-N 1 2 369.425 3.428 20 5 FGBDLO O=[N+]([O-])c1c(NCc2[nH+]ccn2CCc2ccccc2)nc2sccn21 ZINC000301580519 498172527 /nfs/dbraw/zinc/17/25/27/498172527.db2.gz PDXBDBQZESFKOI-UHFFFAOYSA-N 1 2 368.422 3.355 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000281789731 498270233 /nfs/dbraw/zinc/27/02/33/498270233.db2.gz LXWCOXKZARGZAH-HNNXBMFYSA-N 1 2 358.398 3.187 20 5 FGBDLO COC(=O)c1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)cc(C)c1[N+](=O)[O-] ZINC000361186486 498356258 /nfs/dbraw/zinc/35/62/58/498356258.db2.gz DIEMEJACFNMKDK-CYBMUJFWSA-N 1 2 358.398 3.184 20 5 FGBDLO Cc1cc(N(C)Cc2ncc(Cl)n2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302018822 498370931 /nfs/dbraw/zinc/37/09/31/498370931.db2.gz DAGYRSFXZSGVJF-UHFFFAOYSA-N 1 2 372.816 3.384 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293429468 498382070 /nfs/dbraw/zinc/38/20/70/498382070.db2.gz NTCYLIHDJOJYTF-LLVKDONJSA-N 1 2 357.370 3.388 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293429468 498382073 /nfs/dbraw/zinc/38/20/73/498382073.db2.gz NTCYLIHDJOJYTF-LLVKDONJSA-N 1 2 357.370 3.388 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290084739 498423703 /nfs/dbraw/zinc/42/37/03/498423703.db2.gz ZFWJWIVSYUJZNR-GFCCVEGCSA-N 1 2 354.769 3.039 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1F ZINC000290084739 498423707 /nfs/dbraw/zinc/42/37/07/498423707.db2.gz ZFWJWIVSYUJZNR-GFCCVEGCSA-N 1 2 354.769 3.039 20 5 FGBDLO Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000286547399 498432068 /nfs/dbraw/zinc/43/20/68/498432068.db2.gz WDCPEDDZPFRQFW-UHFFFAOYSA-N 1 2 369.381 3.050 20 5 FGBDLO Cc1cc(F)c(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000282291294 498454148 /nfs/dbraw/zinc/45/41/48/498454148.db2.gz BZBBVRSLUIQKOM-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO CSc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000365621855 498561432 /nfs/dbraw/zinc/56/14/32/498561432.db2.gz AOYZDRWJHLAXLY-CYBMUJFWSA-N 1 2 360.439 3.070 20 5 FGBDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000363013726 498603991 /nfs/dbraw/zinc/60/39/91/498603991.db2.gz DKNVOECMUBEEIZ-HNNXBMFYSA-N 1 2 373.413 3.096 20 5 FGBDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000363013726 498603996 /nfs/dbraw/zinc/60/39/96/498603996.db2.gz DKNVOECMUBEEIZ-HNNXBMFYSA-N 1 2 373.413 3.096 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC000366496240 498953705 /nfs/dbraw/zinc/95/37/05/498953705.db2.gz VWTXQDROEFKLEG-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC000366496240 498953713 /nfs/dbraw/zinc/95/37/13/498953713.db2.gz VWTXQDROEFKLEG-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1cc(F)c(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000284206315 499069119 /nfs/dbraw/zinc/06/91/19/499069119.db2.gz YYQNSGYKPQGBHQ-UHFFFAOYSA-N 1 2 373.388 3.359 20 5 FGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000299481945 499072536 /nfs/dbraw/zinc/07/25/36/499072536.db2.gz AGKHAQATORDKDG-UHFFFAOYSA-N 1 2 358.373 3.179 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818486 499107811 /nfs/dbraw/zinc/10/78/11/499107811.db2.gz CBEBGVLILRYIFI-ABAIWWIYSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818486 499107815 /nfs/dbraw/zinc/10/78/15/499107815.db2.gz CBEBGVLILRYIFI-ABAIWWIYSA-N 1 2 369.849 3.322 20 5 FGBDLO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364094311 499113984 /nfs/dbraw/zinc/11/39/84/499113984.db2.gz MCRAJMVHRDKQKP-JXMROGBWSA-N 1 2 366.421 3.130 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3cncc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000367458117 499200945 /nfs/dbraw/zinc/20/09/45/499200945.db2.gz JHGMDJGOVRGLRZ-UHFFFAOYSA-N 1 2 358.329 3.326 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3cncc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000367458117 499200946 /nfs/dbraw/zinc/20/09/46/499200946.db2.gz JHGMDJGOVRGLRZ-UHFFFAOYSA-N 1 2 358.329 3.326 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370621844 499236519 /nfs/dbraw/zinc/23/65/19/499236519.db2.gz IMVMNTUOPGUYTJ-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370621844 499236521 /nfs/dbraw/zinc/23/65/21/499236521.db2.gz IMVMNTUOPGUYTJ-HNNXBMFYSA-N 1 2 366.381 3.162 20 5 FGBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368852318 499339767 /nfs/dbraw/zinc/33/97/67/499339767.db2.gz DNENYIFIDAUCQE-AWEZNQCLSA-N 1 2 372.381 3.132 20 5 FGBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368852318 499339768 /nfs/dbraw/zinc/33/97/68/499339768.db2.gz DNENYIFIDAUCQE-AWEZNQCLSA-N 1 2 372.381 3.132 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000372981602 499445848 /nfs/dbraw/zinc/44/58/48/499445848.db2.gz KPGNSSBPHBIYNU-LJQANCHMSA-N 1 2 352.394 3.216 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000373305591 499462664 /nfs/dbraw/zinc/46/26/64/499462664.db2.gz RIWFENLFSMZZMV-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000373305591 499462665 /nfs/dbraw/zinc/46/26/65/499462665.db2.gz RIWFENLFSMZZMV-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(-c2ccncc2F)s1 ZINC000373466098 499471476 /nfs/dbraw/zinc/47/14/76/499471476.db2.gz NPMLDAUYYVXNJR-UHFFFAOYSA-N 1 2 359.386 3.246 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378522289 499527702 /nfs/dbraw/zinc/52/77/02/499527702.db2.gz OXKWLXMDUSHCNW-LBPRGKRZSA-N 1 2 354.288 3.314 20 5 FGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378525439 499528363 /nfs/dbraw/zinc/52/83/63/499528363.db2.gz YGGDGLCABAJCGW-GFCCVEGCSA-N 1 2 365.187 3.058 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378640092 499540277 /nfs/dbraw/zinc/54/02/77/499540277.db2.gz AAYGECMNHLUFCB-AWEZNQCLSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]2c2cccc(Br)c2)c1 ZINC000378640092 499540278 /nfs/dbraw/zinc/54/02/78/499540278.db2.gz AAYGECMNHLUFCB-AWEZNQCLSA-N 1 2 351.204 3.001 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000378639864 499540022 /nfs/dbraw/zinc/54/00/22/499540022.db2.gz HDLHEPDYWDLHEB-IBGZPJMESA-N 1 2 352.394 3.216 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000376556799 499618236 /nfs/dbraw/zinc/61/82/36/499618236.db2.gz OTMYCKOVZFDKDE-SNVBAGLBSA-N 1 2 366.780 3.059 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@]2(CCOC2)O1 ZINC000573270565 506158388 /nfs/dbraw/zinc/15/83/88/506158388.db2.gz QQQWLLJWLVUBKF-PKOBYXMFSA-N 1 2 364.442 3.152 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@]2(CCOC2)O1 ZINC000573270565 506158391 /nfs/dbraw/zinc/15/83/91/506158391.db2.gz QQQWLLJWLVUBKF-PKOBYXMFSA-N 1 2 364.442 3.152 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411876796 499798809 /nfs/dbraw/zinc/79/88/09/499798809.db2.gz QKFDKFASYBZKQJ-MLGOLLRUSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411876796 499798811 /nfs/dbraw/zinc/79/88/11/499798811.db2.gz QKFDKFASYBZKQJ-MLGOLLRUSA-N 1 2 358.398 3.207 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413258479 499933508 /nfs/dbraw/zinc/93/35/08/499933508.db2.gz AHXYUPYJUYGDDM-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCCOC2)O1 ZINC000413274216 499935490 /nfs/dbraw/zinc/93/54/90/499935490.db2.gz WFYLGZWKQSJZCO-IBGZPJMESA-N 1 2 357.410 3.307 20 5 FGBDLO O=C(N1CCCC1)N1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413281094 499936408 /nfs/dbraw/zinc/93/64/08/499936408.db2.gz MEIFXBVFXUXTKX-OAHLLOKOSA-N 1 2 369.425 3.235 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269935 506172193 /nfs/dbraw/zinc/17/21/93/506172193.db2.gz ADHKJYVPIWJKID-NVXWUHKLSA-N 1 2 350.390 3.276 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269935 506172195 /nfs/dbraw/zinc/17/21/95/506172195.db2.gz ADHKJYVPIWJKID-NVXWUHKLSA-N 1 2 350.390 3.276 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000421459990 500054375 /nfs/dbraw/zinc/05/43/75/500054375.db2.gz FMDXIEQUMLWSLI-UHFFFAOYSA-N 1 2 370.331 3.243 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000425397550 500093601 /nfs/dbraw/zinc/09/36/01/500093601.db2.gz SAYGFPLWUNABOW-AWEZNQCLSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000425397550 500093604 /nfs/dbraw/zinc/09/36/04/500093604.db2.gz SAYGFPLWUNABOW-AWEZNQCLSA-N 1 2 365.231 3.391 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000426844173 500328108 /nfs/dbraw/zinc/32/81/08/500328108.db2.gz XMZBHQMMBICVSX-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000426844173 500328109 /nfs/dbraw/zinc/32/81/09/500328109.db2.gz XMZBHQMMBICVSX-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO C[C@@H]1[C@H](C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000419336832 500355139 /nfs/dbraw/zinc/35/51/39/500355139.db2.gz AVYUXKJSDPCZHD-MXWKQRLJSA-N 1 2 370.247 3.272 20 5 FGBDLO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000419336832 500355140 /nfs/dbraw/zinc/35/51/40/500355140.db2.gz AVYUXKJSDPCZHD-MXWKQRLJSA-N 1 2 370.247 3.272 20 5 FGBDLO Cc1[nH]nc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)c1[N+](=O)[O-] ZINC000428194004 500479482 /nfs/dbraw/zinc/47/94/82/500479482.db2.gz IUKNOGMVYKMSJY-UHFFFAOYSA-N 1 2 353.338 3.374 20 5 FGBDLO Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000433108743 500627577 /nfs/dbraw/zinc/62/75/77/500627577.db2.gz IEEMDYYZXGFAOW-UHFFFAOYSA-N 1 2 350.378 3.329 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576993 500662622 /nfs/dbraw/zinc/66/26/22/500662622.db2.gz CWZXOISEMRQPKP-DYVFJYSZSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437576993 500662624 /nfs/dbraw/zinc/66/26/24/500662624.db2.gz CWZXOISEMRQPKP-DYVFJYSZSA-N 1 2 355.394 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCCS1 ZINC000447808260 500666953 /nfs/dbraw/zinc/66/69/53/500666953.db2.gz UQEYWNHEGMPKJK-HNNXBMFYSA-N 1 2 351.472 3.125 20 5 FGBDLO COCCOc1cc(C)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602572246 506220387 /nfs/dbraw/zinc/22/03/87/506220387.db2.gz DGLRIIVXIMPNRB-UHFFFAOYSA-N 1 2 371.393 3.359 20 5 FGBDLO CCn1nccc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000434750861 500889247 /nfs/dbraw/zinc/88/92/47/500889247.db2.gz ZPMSZAHSAFQQEV-UHFFFAOYSA-N 1 2 354.414 3.067 20 5 FGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000449250207 500957251 /nfs/dbraw/zinc/95/72/51/500957251.db2.gz OKCADLUDFXDHKT-AWEZNQCLSA-N 1 2 367.409 3.013 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000445247749 500960041 /nfs/dbraw/zinc/96/00/41/500960041.db2.gz ICMCHKAQLJRTBN-UHFFFAOYSA-N 1 2 363.801 3.108 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592746174 506227955 /nfs/dbraw/zinc/22/79/55/506227955.db2.gz PCMYUHCIJIDHKS-CQSZACIVSA-N 1 2 352.394 3.013 20 5 FGBDLO Cc1ccc2nc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n2c1 ZINC000441249634 501108630 /nfs/dbraw/zinc/10/86/30/501108630.db2.gz CJXSXYHHMACODE-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO Cc1ccc2nc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)n2c1 ZINC000441249634 501108633 /nfs/dbraw/zinc/10/86/33/501108633.db2.gz CJXSXYHHMACODE-UHFFFAOYSA-N 1 2 364.405 3.076 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000446715548 501155892 /nfs/dbraw/zinc/15/58/92/501155892.db2.gz TVCZDZFIPNRVBI-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000446715548 501155896 /nfs/dbraw/zinc/15/58/96/501155896.db2.gz TVCZDZFIPNRVBI-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO CCc1cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450825886 501214305 /nfs/dbraw/zinc/21/43/05/501214305.db2.gz FTRXPRPXNYBKQY-BLLLJJGKSA-N 1 2 364.409 3.351 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456352932 501507354 /nfs/dbraw/zinc/50/73/54/501507354.db2.gz MEQVLXQYFHSLON-SECBINFHSA-N 1 2 356.304 3.321 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000454550153 501575181 /nfs/dbraw/zinc/57/51/81/501575181.db2.gz LFPRKGHIRFDDMF-CQSZACIVSA-N 1 2 359.430 3.194 20 5 FGBDLO O=C(NC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1)C1CC1 ZINC000459624211 501689172 /nfs/dbraw/zinc/68/91/72/501689172.db2.gz YHHHYXPWMHTATD-UHFFFAOYSA-N 1 2 357.435 3.034 20 5 FGBDLO CN(Cc1ccccc1F)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000477829088 501801690 /nfs/dbraw/zinc/80/16/90/501801690.db2.gz UEGWYNSUFGZAST-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596158700 506286085 /nfs/dbraw/zinc/28/60/85/506286085.db2.gz HPEOBEUCSMFKAH-UHFFFAOYSA-N 1 2 364.789 3.142 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000596158700 506286092 /nfs/dbraw/zinc/28/60/92/506286092.db2.gz HPEOBEUCSMFKAH-UHFFFAOYSA-N 1 2 364.789 3.142 20 5 FGBDLO COc1cc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])cc1F ZINC000464486391 502002960 /nfs/dbraw/zinc/00/29/60/502002960.db2.gz JIZQRJFVXIVUOC-KRWDZBQOSA-N 1 2 373.388 3.272 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000471394384 502009972 /nfs/dbraw/zinc/00/99/72/502009972.db2.gz NLTYOQGKXWSJCC-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000475360770 502147925 /nfs/dbraw/zinc/14/79/25/502147925.db2.gz KZUNLNIXMLVUAE-UHFFFAOYSA-N 1 2 354.410 3.475 20 5 FGBDLO Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000475360770 502147929 /nfs/dbraw/zinc/14/79/29/502147929.db2.gz KZUNLNIXMLVUAE-UHFFFAOYSA-N 1 2 354.410 3.475 20 5 FGBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000475491173 502188557 /nfs/dbraw/zinc/18/85/57/502188557.db2.gz DEKUCWYMUXIPQY-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000475491173 502188565 /nfs/dbraw/zinc/18/85/65/502188565.db2.gz DEKUCWYMUXIPQY-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO Cc1ncc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)s1 ZINC000461788906 502201574 /nfs/dbraw/zinc/20/15/74/502201574.db2.gz YFASSMOAQJGGPR-UHFFFAOYSA-N 1 2 350.419 3.129 20 5 FGBDLO CC(C)(C)OC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000468879159 502216254 /nfs/dbraw/zinc/21/62/54/502216254.db2.gz GLDIMKBANSRIGY-UHFFFAOYSA-N 1 2 372.425 3.200 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](OCc2ccccn2)C1 ZINC000599058693 506300526 /nfs/dbraw/zinc/30/05/26/506300526.db2.gz FMUWIZCNDCJKBI-MRXNPFEDSA-N 1 2 350.378 3.334 20 5 FGBDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482974491 502234131 /nfs/dbraw/zinc/23/41/31/502234131.db2.gz APEGTYQLAPUVIA-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482974491 502234137 /nfs/dbraw/zinc/23/41/37/502234137.db2.gz APEGTYQLAPUVIA-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO COc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000479396210 502246398 /nfs/dbraw/zinc/24/63/98/502246398.db2.gz PLCGLXYTJNGXOE-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479563408 502298534 /nfs/dbraw/zinc/29/85/34/502298534.db2.gz BQRHTZUNUHEMTE-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479563408 502298537 /nfs/dbraw/zinc/29/85/37/502298537.db2.gz BQRHTZUNUHEMTE-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000602807593 506307681 /nfs/dbraw/zinc/30/76/81/506307681.db2.gz YOYIJWIGKHJAFD-UHFFFAOYSA-N 1 2 353.220 3.116 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000487111328 502362554 /nfs/dbraw/zinc/36/25/54/502362554.db2.gz SEIDMAVTHRKVPN-AWEZNQCLSA-N 1 2 356.426 3.071 20 5 FGBDLO CN(C)c1cnn(C2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)c1 ZINC000599086290 506316743 /nfs/dbraw/zinc/31/67/43/506316743.db2.gz INANKIHEJDWXAM-UHFFFAOYSA-N 1 2 366.425 3.247 20 5 FGBDLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000473170290 502534432 /nfs/dbraw/zinc/53/44/32/502534432.db2.gz OPNAVSWZCJSEBU-QMTHXVAHSA-N 1 2 360.395 3.091 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000484005296 502547797 /nfs/dbraw/zinc/54/77/97/502547797.db2.gz OEPZVRQXOMDNJD-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000484005296 502547801 /nfs/dbraw/zinc/54/78/01/502547801.db2.gz OEPZVRQXOMDNJD-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c2c(c1)COCO2 ZINC000462824218 502588369 /nfs/dbraw/zinc/58/83/69/502588369.db2.gz CIBNWNVWKCREPI-UHFFFAOYSA-N 1 2 368.389 3.214 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c2c(c1)COCO2 ZINC000462824218 502588374 /nfs/dbraw/zinc/58/83/74/502588374.db2.gz CIBNWNVWKCREPI-UHFFFAOYSA-N 1 2 368.389 3.214 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000463030818 502667237 /nfs/dbraw/zinc/66/72/37/502667237.db2.gz ARAAKOFHXHQRNZ-GFCCVEGCSA-N 1 2 363.414 3.314 20 5 FGBDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000477321262 502742082 /nfs/dbraw/zinc/74/20/82/502742082.db2.gz KTLYPFAEVDWHFA-UHFFFAOYSA-N 1 2 357.410 3.155 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000467119906 502791802 /nfs/dbraw/zinc/79/18/02/502791802.db2.gz UQXMCMHSWBUWJH-HNNXBMFYSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000467119906 502791809 /nfs/dbraw/zinc/79/18/09/502791809.db2.gz UQXMCMHSWBUWJH-HNNXBMFYSA-N 1 2 373.409 3.418 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000509126459 502828412 /nfs/dbraw/zinc/82/84/12/502828412.db2.gz OCYYPWHPBLMGCZ-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO Cc1cc(N[C@H](C)c2ccncc2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509432498 502901634 /nfs/dbraw/zinc/90/16/34/502901634.db2.gz ZQJYAQJNAICTRB-GFCCVEGCSA-N 1 2 353.357 3.489 20 5 FGBDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2C1 ZINC000505570807 502937683 /nfs/dbraw/zinc/93/76/83/502937683.db2.gz PSACQUPDOZUQJQ-AWEZNQCLSA-N 1 2 372.494 3.498 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509662922 502961848 /nfs/dbraw/zinc/96/18/48/502961848.db2.gz AFNJMPJRXDSQAT-ZDUSSCGKSA-N 1 2 362.380 3.147 20 5 FGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513661712 502994399 /nfs/dbraw/zinc/99/43/99/502994399.db2.gz PYYHMKDVMHVPQU-OALUTQOASA-N 1 2 366.421 3.395 20 5 FGBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000506059031 503039080 /nfs/dbraw/zinc/03/90/80/503039080.db2.gz CBIMCYSVCYNMLJ-UHFFFAOYSA-N 1 2 370.453 3.319 20 5 FGBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000506059031 503039084 /nfs/dbraw/zinc/03/90/84/503039084.db2.gz CBIMCYSVCYNMLJ-UHFFFAOYSA-N 1 2 370.453 3.319 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000506138857 503055466 /nfs/dbraw/zinc/05/54/66/503055466.db2.gz URLWUZLNDRLTAP-UHFFFAOYSA-N 1 2 367.352 3.107 20 5 FGBDLO Cn1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918253 506351537 /nfs/dbraw/zinc/35/15/37/506351537.db2.gz PFBMWDZXGABWMY-IBGZPJMESA-N 1 2 366.421 3.064 20 5 FGBDLO Cn1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918253 506351546 /nfs/dbraw/zinc/35/15/46/506351546.db2.gz PFBMWDZXGABWMY-IBGZPJMESA-N 1 2 366.421 3.064 20 5 FGBDLO COc1ccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000510474206 503122516 /nfs/dbraw/zinc/12/25/16/503122516.db2.gz RXGNPVJKUULFDI-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000510631646 503159644 /nfs/dbraw/zinc/15/96/44/503159644.db2.gz SWYPSAKWVDKXLE-UHFFFAOYSA-N 1 2 360.395 3.347 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000510631646 503159650 /nfs/dbraw/zinc/15/96/50/503159650.db2.gz SWYPSAKWVDKXLE-UHFFFAOYSA-N 1 2 360.395 3.347 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000511521367 503336622 /nfs/dbraw/zinc/33/66/22/503336622.db2.gz OQKMICYKVTZJJB-YVMONPNESA-N 1 2 365.433 3.374 20 5 FGBDLO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507660973 503342007 /nfs/dbraw/zinc/34/20/07/503342007.db2.gz QYTXLOYKIUETNC-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2csc(COC)n2)cc1[N+](=O)[O-] ZINC000515562499 503366648 /nfs/dbraw/zinc/36/66/48/503366648.db2.gz ZEHRMYYLTHQTET-LLVKDONJSA-N 1 2 351.428 3.447 20 5 FGBDLO CCO[C@@H](C)c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602965717 506369136 /nfs/dbraw/zinc/36/91/36/506369136.db2.gz MNYMKJBZTLVTIH-SJCJKPOMSA-N 1 2 365.455 3.146 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499457037 503409921 /nfs/dbraw/zinc/40/99/21/503409921.db2.gz MKHCXIWEFFOVQG-KGLIPLIRSA-N 1 2 359.451 3.391 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499457037 503409923 /nfs/dbraw/zinc/40/99/23/503409923.db2.gz MKHCXIWEFFOVQG-KGLIPLIRSA-N 1 2 359.451 3.391 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494660677 503586193 /nfs/dbraw/zinc/58/61/93/503586193.db2.gz GMPAXZYZEUXYAS-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494660677 503586196 /nfs/dbraw/zinc/58/61/96/503586196.db2.gz GMPAXZYZEUXYAS-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO Cc1ccc(Cc2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)c[nH+]1 ZINC000546353430 503721241 /nfs/dbraw/zinc/72/12/41/503721241.db2.gz SSMFUJZMIILZRO-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544041108 503982888 /nfs/dbraw/zinc/98/28/88/503982888.db2.gz XOFNRQSQSZQBJR-UHFFFAOYSA-N 1 2 360.389 3.263 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c1)O[C@H](C)C2 ZINC000537628528 503983605 /nfs/dbraw/zinc/98/36/05/503983605.db2.gz LMEHYPPLVCTUGB-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c1)O[C@H](C)C2 ZINC000537628528 503983610 /nfs/dbraw/zinc/98/36/10/503983610.db2.gz LMEHYPPLVCTUGB-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000544374875 504108394 /nfs/dbraw/zinc/10/83/94/504108394.db2.gz BKJJCDIMYOREBX-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510475 504159494 /nfs/dbraw/zinc/15/94/94/504159494.db2.gz SNEMNVYYBQZJAS-LSDHHAIUSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510475 504159497 /nfs/dbraw/zinc/15/94/97/504159497.db2.gz SNEMNVYYBQZJAS-LSDHHAIUSA-N 1 2 365.433 3.319 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000538277035 504185330 /nfs/dbraw/zinc/18/53/30/504185330.db2.gz NUODASOUGCEPQT-QGZVFWFLSA-N 1 2 362.357 3.078 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701986 504226941 /nfs/dbraw/zinc/22/69/41/504226941.db2.gz JBNIDFBJHUIRKW-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541701986 504226945 /nfs/dbraw/zinc/22/69/45/504226945.db2.gz JBNIDFBJHUIRKW-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000539077570 504466157 /nfs/dbraw/zinc/46/61/57/504466157.db2.gz VESFZSKKSBSODT-INIZCTEOSA-N 1 2 357.410 3.113 20 5 FGBDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000532632621 504717788 /nfs/dbraw/zinc/71/77/88/504717788.db2.gz USZWWESJEAIVFN-UHFFFAOYSA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000565108660 504795981 /nfs/dbraw/zinc/79/59/81/504795981.db2.gz IZGIEGYGXQQFOX-CYBMUJFWSA-N 1 2 371.441 3.219 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000561189071 505275276 /nfs/dbraw/zinc/27/52/76/505275276.db2.gz HFJYLNXEBIXJKY-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000552079444 505392670 /nfs/dbraw/zinc/39/26/70/505392670.db2.gz MHRWLBOINNQCRT-CYBMUJFWSA-N 1 2 367.352 3.269 20 5 FGBDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000552079444 505392673 /nfs/dbraw/zinc/39/26/73/505392673.db2.gz MHRWLBOINNQCRT-CYBMUJFWSA-N 1 2 367.352 3.269 20 5 FGBDLO CSc1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000552122172 505407306 /nfs/dbraw/zinc/40/73/06/505407306.db2.gz LLRHOLDYZYPAMT-UHFFFAOYSA-N 1 2 373.425 3.024 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567265239 505412998 /nfs/dbraw/zinc/41/29/98/505412998.db2.gz FUMBUVWEYOQNKO-JSGCOSHPSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567265239 505413003 /nfs/dbraw/zinc/41/30/03/505413003.db2.gz FUMBUVWEYOQNKO-JSGCOSHPSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567265238 505413121 /nfs/dbraw/zinc/41/31/21/505413121.db2.gz FUMBUVWEYOQNKO-GXTWGEPZSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567265238 505413124 /nfs/dbraw/zinc/41/31/24/505413124.db2.gz FUMBUVWEYOQNKO-GXTWGEPZSA-N 1 2 374.828 3.460 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000564444327 505421645 /nfs/dbraw/zinc/42/16/45/505421645.db2.gz RWRQMLARDUBXEF-AWEZNQCLSA-N 1 2 357.414 3.361 20 5 FGBDLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000558691523 505465076 /nfs/dbraw/zinc/46/50/76/505465076.db2.gz JNJFOOBJHTYBNL-AWEZNQCLSA-N 1 2 350.378 3.200 20 5 FGBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558743952 505481241 /nfs/dbraw/zinc/48/12/41/505481241.db2.gz ZCWITSNFTRPODG-AWEZNQCLSA-N 1 2 358.446 3.322 20 5 FGBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558743952 505481244 /nfs/dbraw/zinc/48/12/44/505481244.db2.gz ZCWITSNFTRPODG-AWEZNQCLSA-N 1 2 358.446 3.322 20 5 FGBDLO Cc1ccc2c(c1)CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])CC2 ZINC000596411519 506394379 /nfs/dbraw/zinc/39/43/79/506394379.db2.gz XDCDRRKJHTURHJ-UHFFFAOYSA-N 1 2 367.449 3.298 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 ZINC000589188744 506475245 /nfs/dbraw/zinc/47/52/45/506475245.db2.gz LDZXAQCNPRIWMH-UHFFFAOYSA-N 1 2 356.378 3.069 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 ZINC000589188744 506475252 /nfs/dbraw/zinc/47/52/52/506475252.db2.gz LDZXAQCNPRIWMH-UHFFFAOYSA-N 1 2 356.378 3.069 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513235 506480611 /nfs/dbraw/zinc/48/06/11/506480611.db2.gz RCICRQXQKJUUOL-TUAOUCFPSA-N 1 2 371.384 3.154 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513235 506480615 /nfs/dbraw/zinc/48/06/15/506480615.db2.gz RCICRQXQKJUUOL-TUAOUCFPSA-N 1 2 371.384 3.154 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000596598344 506483128 /nfs/dbraw/zinc/48/31/28/506483128.db2.gz LUMHGATXSJMNPO-UHFFFAOYSA-N 1 2 362.405 3.061 20 5 FGBDLO COc1cc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000596598344 506483133 /nfs/dbraw/zinc/48/31/33/506483133.db2.gz LUMHGATXSJMNPO-UHFFFAOYSA-N 1 2 362.405 3.061 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596598118 506483357 /nfs/dbraw/zinc/48/33/57/506483357.db2.gz BPGXECJSQOIEGZ-CYBMUJFWSA-N 1 2 371.441 3.038 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596598118 506483365 /nfs/dbraw/zinc/48/33/65/506483365.db2.gz BPGXECJSQOIEGZ-CYBMUJFWSA-N 1 2 371.441 3.038 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649586 506510435 /nfs/dbraw/zinc/51/04/35/506510435.db2.gz CQVDKZFKAXZYSI-MOPGFXCFSA-N 1 2 363.421 3.277 20 5 FGBDLO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599661563 506562196 /nfs/dbraw/zinc/56/21/96/506562196.db2.gz YOPLLISVMYRJII-UHFFFAOYSA-N 1 2 350.422 3.394 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599661563 506562199 /nfs/dbraw/zinc/56/21/99/506562199.db2.gz YOPLLISVMYRJII-UHFFFAOYSA-N 1 2 350.422 3.394 20 5 FGBDLO Cc1ccn2cc(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000604128332 506724585 /nfs/dbraw/zinc/72/45/85/506724585.db2.gz VZDAOCCKOMOEQA-CYBMUJFWSA-N 1 2 353.382 3.111 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597014806 506732414 /nfs/dbraw/zinc/73/24/14/506732414.db2.gz SKEMCXDWKGETKE-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)nc1 ZINC000597014806 506732420 /nfs/dbraw/zinc/73/24/20/506732420.db2.gz SKEMCXDWKGETKE-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO COc1ccccc1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000609075606 506769948 /nfs/dbraw/zinc/76/99/48/506769948.db2.gz GPJPKVBSJIMYTI-UHFFFAOYSA-N 1 2 355.438 3.230 20 5 FGBDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609144023 506790861 /nfs/dbraw/zinc/79/08/61/506790861.db2.gz YAYGHZASSNMNGQ-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO Cc1ccc2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]c2c1 ZINC000597148385 506799554 /nfs/dbraw/zinc/79/95/54/506799554.db2.gz CWBFEGAITPGTQS-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000604560330 506875870 /nfs/dbraw/zinc/87/58/70/506875870.db2.gz SGLHDBMARUQBQU-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609834439 507018639 /nfs/dbraw/zinc/01/86/39/507018639.db2.gz KHKBMHWICBEDTF-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCC2 ZINC000594510928 507162932 /nfs/dbraw/zinc/16/29/32/507162932.db2.gz MNLNQYQPDIHQAV-JKSUJKDBSA-N 1 2 357.414 3.122 20 5 FGBDLO O=C(NCCc1cn2ccccc2[nH+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600981332 507214254 /nfs/dbraw/zinc/21/42/54/507214254.db2.gz GWAMMHPAMBMKMX-UHFFFAOYSA-N 1 2 364.405 3.023 20 5 FGBDLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610370780 507218885 /nfs/dbraw/zinc/21/88/85/507218885.db2.gz IIVQKJKBDKHPBK-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000610435082 507238531 /nfs/dbraw/zinc/23/85/31/507238531.db2.gz XOGMUQLHDOUPAC-UHFFFAOYSA-N 1 2 370.434 3.245 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505240 507268384 /nfs/dbraw/zinc/26/83/84/507268384.db2.gz DFGFQOJJWKYITQ-QZTJIDSGSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505240 507268386 /nfs/dbraw/zinc/26/83/86/507268386.db2.gz DFGFQOJJWKYITQ-QZTJIDSGSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@H]([N@@H+]2CC[C@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505242 507268915 /nfs/dbraw/zinc/26/89/15/507268915.db2.gz DFGFQOJJWKYITQ-ZWKOTPCHSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@H]([N@H+]2CC[C@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505242 507268922 /nfs/dbraw/zinc/26/89/22/507268922.db2.gz DFGFQOJJWKYITQ-ZWKOTPCHSA-N 1 2 355.369 3.286 20 5 FGBDLO CC1CC(n2nnc3c2CN(c2[nH+]ccc4ccc([N+](=O)[O-])cc42)CC3)C1 ZINC000601233140 507306014 /nfs/dbraw/zinc/30/60/14/507306014.db2.gz YISBGKFOGWFCSE-UHFFFAOYSA-N 1 2 364.409 3.268 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610644676 507331489 /nfs/dbraw/zinc/33/14/89/507331489.db2.gz ICFVFBDTWZBIOW-ZBFHGGJFSA-N 1 2 357.414 3.207 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(OC3CC3)c2F)c([N+](=O)[O-])cc1O ZINC000594971922 507338615 /nfs/dbraw/zinc/33/86/15/507338615.db2.gz ULXVUNOKZXFOHU-UHFFFAOYSA-N 1 2 362.357 3.279 20 5 FGBDLO CCOC(=O)Cc1ccc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000591913269 507407056 /nfs/dbraw/zinc/40/70/56/507407056.db2.gz ZEJCDDVXFRUXCD-UHFFFAOYSA-N 1 2 368.393 3.269 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610963891 507457614 /nfs/dbraw/zinc/45/76/14/507457614.db2.gz HTQODLBQEVJUOU-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595323459 507459836 /nfs/dbraw/zinc/45/98/36/507459836.db2.gz UNLQHYQLTODKLW-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595462168 507509339 /nfs/dbraw/zinc/50/93/39/507509339.db2.gz TVELQNUUHSUVGU-ZDUSSCGKSA-N 1 2 367.409 3.150 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595462168 507509347 /nfs/dbraw/zinc/50/93/47/507509347.db2.gz TVELQNUUHSUVGU-ZDUSSCGKSA-N 1 2 367.409 3.150 20 5 FGBDLO Cc1noc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000595477683 507521495 /nfs/dbraw/zinc/52/14/95/507521495.db2.gz SKNHPYPPXSNZIH-ZDUSSCGKSA-N 1 2 367.203 3.290 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598648710 507532794 /nfs/dbraw/zinc/53/27/94/507532794.db2.gz JXLQSLZBUCMPKJ-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598648710 507532800 /nfs/dbraw/zinc/53/28/00/507532800.db2.gz JXLQSLZBUCMPKJ-AWEZNQCLSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598651409 507535045 /nfs/dbraw/zinc/53/50/45/507535045.db2.gz YLVVJQDXTOMMMN-MRXNPFEDSA-N 1 2 371.384 3.346 20 5 FGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598679465 507549159 /nfs/dbraw/zinc/54/91/59/507549159.db2.gz UTTIZQVGXXDEPT-UHFFFAOYSA-N 1 2 357.410 3.151 20 5 FGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598679465 507549163 /nfs/dbraw/zinc/54/91/63/507549163.db2.gz UTTIZQVGXXDEPT-UHFFFAOYSA-N 1 2 357.410 3.151 20 5 FGBDLO CC(C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000602113695 507596060 /nfs/dbraw/zinc/59/60/60/507596060.db2.gz OSGQOVMEPPKKDV-ZDUSSCGKSA-N 1 2 370.331 3.336 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789014 507687268 /nfs/dbraw/zinc/68/72/68/507687268.db2.gz PANIZVKJKARYPZ-KRWDZBQOSA-N 1 2 361.442 3.123 20 5 FGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602448312 507713217 /nfs/dbraw/zinc/71/32/17/507713217.db2.gz IUSGBJJLGGCYSL-UHFFFAOYSA-N 1 2 359.249 3.174 20 5 FGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602448312 507713220 /nfs/dbraw/zinc/71/32/20/507713220.db2.gz IUSGBJJLGGCYSL-UHFFFAOYSA-N 1 2 359.249 3.174 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555133 507737812 /nfs/dbraw/zinc/73/78/12/507737812.db2.gz ONEGSZNNMMBDJM-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555133 507737819 /nfs/dbraw/zinc/73/78/19/507737819.db2.gz ONEGSZNNMMBDJM-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO Cc1sc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000600364078 673762227 /nfs/dbraw/zinc/76/22/27/673762227.db2.gz GBPACUSHOWLMOR-UHFFFAOYSA-N 1 2 363.443 3.028 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000133663245 700840058 /nfs/dbraw/zinc/84/00/58/700840058.db2.gz PVHHNAKGAJULRY-ZDUSSCGKSA-N 1 2 350.806 3.193 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000133663245 700840061 /nfs/dbraw/zinc/84/00/61/700840061.db2.gz PVHHNAKGAJULRY-ZDUSSCGKSA-N 1 2 350.806 3.193 20 5 FGBDLO Cc1nc(CO[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cs1 ZINC000374877122 713950342 /nfs/dbraw/zinc/95/03/42/713950342.db2.gz LAXNIFRURURSKM-HNNXBMFYSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1nc(CO[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cs1 ZINC000374877122 713950344 /nfs/dbraw/zinc/95/03/44/713950344.db2.gz LAXNIFRURURSKM-HNNXBMFYSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1c(Br)cc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000784353591 724846128 /nfs/dbraw/zinc/84/61/28/724846128.db2.gz WSPQVPALTASGPQ-UHFFFAOYSA-N 1 2 368.187 3.109 20 5 FGBDLO O=[N+]([O-])c1cc(-c2nc(Cc3cccs3)no2)ccc1-n1cc[nH+]c1 ZINC000731792200 722478149 /nfs/dbraw/zinc/47/81/49/722478149.db2.gz GZLIUJIVGCKDPM-UHFFFAOYSA-N 1 2 353.363 3.483 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734837427 722510415 /nfs/dbraw/zinc/51/04/15/722510415.db2.gz IRRZFWSDKQMRPR-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734837427 722510416 /nfs/dbraw/zinc/51/04/16/722510416.db2.gz IRRZFWSDKQMRPR-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C(OCc1cc(Cl)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735885967 722519900 /nfs/dbraw/zinc/51/99/00/722519900.db2.gz IVQSOYWBSFENKR-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000743863788 722572016 /nfs/dbraw/zinc/57/20/16/722572016.db2.gz DMBHYFLZZFADJB-CQSZACIVSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000743863788 722572017 /nfs/dbraw/zinc/57/20/17/722572017.db2.gz DMBHYFLZZFADJB-CQSZACIVSA-N 1 2 353.394 3.223 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761095384 723121477 /nfs/dbraw/zinc/12/14/77/723121477.db2.gz OSEIQKCYAUHCCA-IFUGULHKSA-N 1 2 358.423 3.140 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761095384 723121480 /nfs/dbraw/zinc/12/14/80/723121480.db2.gz OSEIQKCYAUHCCA-IFUGULHKSA-N 1 2 358.423 3.140 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761514437 723161602 /nfs/dbraw/zinc/16/16/02/723161602.db2.gz JIQGHPGLDYQUQF-CABCVRRESA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761514437 723161605 /nfs/dbraw/zinc/16/16/05/723161605.db2.gz JIQGHPGLDYQUQF-CABCVRRESA-N 1 2 353.850 3.470 20 5 FGBDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796507117 723640817 /nfs/dbraw/zinc/64/08/17/723640817.db2.gz CXVCXGVAWRLAPJ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796507117 723640818 /nfs/dbraw/zinc/64/08/18/723640818.db2.gz CXVCXGVAWRLAPJ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796718064 723651670 /nfs/dbraw/zinc/65/16/70/723651670.db2.gz UEQBOAOPEGZCCD-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796718064 723651672 /nfs/dbraw/zinc/65/16/72/723651672.db2.gz UEQBOAOPEGZCCD-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796718687 723651812 /nfs/dbraw/zinc/65/18/12/723651812.db2.gz XVYDTBRRWQGPCJ-CYBMUJFWSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796718687 723651813 /nfs/dbraw/zinc/65/18/13/723651813.db2.gz XVYDTBRRWQGPCJ-CYBMUJFWSA-N 1 2 353.394 3.223 20 5 FGBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)S(C)(=O)=O ZINC000769519267 723688796 /nfs/dbraw/zinc/68/87/96/723688796.db2.gz OETVPCGHGMVMHQ-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)S(C)(=O)=O ZINC000769519267 723688797 /nfs/dbraw/zinc/68/87/97/723688797.db2.gz OETVPCGHGMVMHQ-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccc2[nH+]ccn21 ZINC000777092358 724215048 /nfs/dbraw/zinc/21/50/48/724215048.db2.gz NUHSDRXVSNEPHZ-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)cc1Cl ZINC000778586732 724347494 /nfs/dbraw/zinc/34/74/94/724347494.db2.gz FZBLTXMNSFPFPJ-UHFFFAOYSA-N 1 2 352.778 3.124 20 5 FGBDLO O=C(OCc1cnc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679598 724929854 /nfs/dbraw/zinc/92/98/54/724929854.db2.gz VLDRRMFFFOGGRK-UHFFFAOYSA-N 1 2 364.770 3.247 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000809697534 725259985 /nfs/dbraw/zinc/25/99/85/725259985.db2.gz IPCUBROMLVQWDO-QWRGUYRKSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000809697534 725259987 /nfs/dbraw/zinc/25/99/87/725259987.db2.gz IPCUBROMLVQWDO-QWRGUYRKSA-N 1 2 352.740 3.241 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1 ZINC000820632154 729012799 /nfs/dbraw/zinc/01/27/99/729012799.db2.gz FATUKIOOVFWAIF-HNNXBMFYSA-N 1 2 350.802 3.120 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1 ZINC000820632154 729012804 /nfs/dbraw/zinc/01/28/04/729012804.db2.gz FATUKIOOVFWAIF-HNNXBMFYSA-N 1 2 350.802 3.120 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000844718912 730757422 /nfs/dbraw/zinc/75/74/22/730757422.db2.gz XJOQOCZGGPTKFT-CQSZACIVSA-N 1 2 352.822 3.445 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000844718912 730757424 /nfs/dbraw/zinc/75/74/24/730757424.db2.gz XJOQOCZGGPTKFT-CQSZACIVSA-N 1 2 352.822 3.445 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc1 ZINC000847034036 731009546 /nfs/dbraw/zinc/00/95/46/731009546.db2.gz JBPVDXCDCVVDRQ-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000852734746 731627686 /nfs/dbraw/zinc/62/76/86/731627686.db2.gz DHBXBYQTIQILKC-HUUCEWRRSA-N 1 2 353.394 3.032 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000852734746 731627688 /nfs/dbraw/zinc/62/76/88/731627688.db2.gz DHBXBYQTIQILKC-HUUCEWRRSA-N 1 2 353.394 3.032 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(c4ccon4)CC3)c2c(Cl)c1 ZINC000853590554 731728690 /nfs/dbraw/zinc/72/86/90/731728690.db2.gz TZHGBTHECZUKMI-UHFFFAOYSA-N 1 2 361.789 3.423 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000865705436 733255038 /nfs/dbraw/zinc/25/50/38/733255038.db2.gz RHTSJPOPUHPUBS-OAHLLOKOSA-N 1 2 356.209 3.294 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872068788 735584125 /nfs/dbraw/zinc/58/41/25/735584125.db2.gz ZRHIQEBWEQCJNH-JTQLQIEISA-N 1 2 372.443 3.440 20 5 FGBDLO COc1c(O)ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000894694379 742319330 /nfs/dbraw/zinc/31/93/30/742319330.db2.gz DDMKOBZOOOCHDH-CQSZACIVSA-N 1 2 366.801 3.128 20 5 FGBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000894694379 742319337 /nfs/dbraw/zinc/31/93/37/742319337.db2.gz DDMKOBZOOOCHDH-CQSZACIVSA-N 1 2 366.801 3.128 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895011470 742364517 /nfs/dbraw/zinc/36/45/17/742364517.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 1 2 355.320 3.030 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895011470 742364522 /nfs/dbraw/zinc/36/45/22/742364522.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 1 2 355.320 3.030 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562553 742427068 /nfs/dbraw/zinc/42/70/68/742427068.db2.gz OZKRCVVTTZOGRY-HYXAFXHYSA-N 1 2 352.316 3.339 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562553 742427070 /nfs/dbraw/zinc/42/70/70/742427070.db2.gz OZKRCVVTTZOGRY-HYXAFXHYSA-N 1 2 352.316 3.339 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000896655453 742578171 /nfs/dbraw/zinc/57/81/71/742578171.db2.gz YLNPZNCBPMCWFV-UHFFFAOYSA-N 1 2 351.204 3.136 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900540568 743127066 /nfs/dbraw/zinc/12/70/66/743127066.db2.gz LZYKPJHKZQGDKX-VIFPVBQESA-N 1 2 352.753 3.130 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563521 743129461 /nfs/dbraw/zinc/12/94/61/743129461.db2.gz UVYIYIFZUDIOSO-LLVKDONJSA-N 1 2 352.753 3.061 20 5 FGBDLO O=C1OCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000933616288 761439671 /nfs/dbraw/zinc/43/96/71/761439671.db2.gz DQGFRBSNSWWQED-UHFFFAOYSA-N 1 2 353.806 3.055 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000933987400 761517838 /nfs/dbraw/zinc/51/78/38/761517838.db2.gz ZHDVIMFRQPRXRC-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000933987400 761517845 /nfs/dbraw/zinc/51/78/45/761517845.db2.gz ZHDVIMFRQPRXRC-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO CCc1cc(N)nc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC000573650728 505587559 /nfs/dbraw/zinc/58/75/59/505587559.db2.gz WQOALKUVCGLQBG-UHFFFAOYSA-N 1 2 357.395 3.307 20 5 FGBDLO CCOc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000080772622 493777695 /nfs/dbraw/zinc/77/76/95/493777695.db2.gz OCXSEKADRVWPQB-CQSZACIVSA-N 1 2 372.425 3.226 20 5 FGBDLO CCc1noc(C)c1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000571230521 505684569 /nfs/dbraw/zinc/68/45/69/505684569.db2.gz ZJRSNCVSYCAPCW-KRWDZBQOSA-N 1 2 355.398 3.066 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000058956799 493895820 /nfs/dbraw/zinc/89/58/20/493895820.db2.gz MZYWJCBMPYZGEE-UHFFFAOYSA-N 1 2 373.409 3.043 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007929574 494054332 /nfs/dbraw/zinc/05/43/32/494054332.db2.gz WQNYQIJEODJTEQ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007929574 494054335 /nfs/dbraw/zinc/05/43/35/494054335.db2.gz WQNYQIJEODJTEQ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000008177728 494074353 /nfs/dbraw/zinc/07/43/53/494074353.db2.gz KTLHJULTBVEOMM-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036753866 494097603 /nfs/dbraw/zinc/09/76/03/494097603.db2.gz JAMNPLRWUDRMDG-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000086336152 494148469 /nfs/dbraw/zinc/14/84/69/494148469.db2.gz UWPHCOFWUFPKJB-GFCCVEGCSA-N 1 2 366.377 3.286 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781788 494165410 /nfs/dbraw/zinc/16/54/10/494165410.db2.gz QGMHENQQRQMKRT-LLVKDONJSA-N 1 2 370.434 3.496 20 5 FGBDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781788 494165414 /nfs/dbraw/zinc/16/54/14/494165414.db2.gz QGMHENQQRQMKRT-LLVKDONJSA-N 1 2 370.434 3.496 20 5 FGBDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000015299768 494347269 /nfs/dbraw/zinc/34/72/69/494347269.db2.gz MKXLKUVKKMSDRT-UHFFFAOYSA-N 1 2 357.410 3.454 20 5 FGBDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000015299768 494347271 /nfs/dbraw/zinc/34/72/71/494347271.db2.gz MKXLKUVKKMSDRT-UHFFFAOYSA-N 1 2 357.410 3.454 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638320 494397433 /nfs/dbraw/zinc/39/74/33/494397433.db2.gz BMOATONIEIHGMB-UHFFFAOYSA-N 1 2 368.418 3.167 20 5 FGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816017 494410549 /nfs/dbraw/zinc/41/05/49/494410549.db2.gz SRNVNMZZTVOANV-JXMROGBWSA-N 1 2 367.405 3.079 20 5 FGBDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000066874879 494430751 /nfs/dbraw/zinc/43/07/51/494430751.db2.gz FTKZWABRDLSGPH-UHFFFAOYSA-N 1 2 363.433 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCN(CC(F)F)CC3)co2)cc1 ZINC000091083252 494527974 /nfs/dbraw/zinc/52/79/74/494527974.db2.gz NVMWOUOIMRHNFW-UHFFFAOYSA-N 1 2 366.368 3.023 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCN(CC(F)F)CC3)co2)cc1 ZINC000091083252 494527977 /nfs/dbraw/zinc/52/79/77/494527977.db2.gz NVMWOUOIMRHNFW-UHFFFAOYSA-N 1 2 366.368 3.023 20 5 FGBDLO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000074825014 494611399 /nfs/dbraw/zinc/61/13/99/494611399.db2.gz SOFWPRVFRIEETR-UHFFFAOYSA-N 1 2 368.393 3.069 20 5 FGBDLO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000121213424 494649517 /nfs/dbraw/zinc/64/95/17/494649517.db2.gz FPBVYSDYWHCKIV-UHFFFAOYSA-N 1 2 363.458 3.275 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000057220812 494684114 /nfs/dbraw/zinc/68/41/14/494684114.db2.gz ZPOGKDSSLABLSD-ZDUSSCGKSA-N 1 2 353.382 3.111 20 5 FGBDLO Cc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)no1 ZINC000092787968 494749375 /nfs/dbraw/zinc/74/93/75/494749375.db2.gz OGKLXQMJDFOQQR-UHFFFAOYSA-N 1 2 368.340 3.267 20 5 FGBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000080640669 494751872 /nfs/dbraw/zinc/75/18/72/494751872.db2.gz WPRABXDZAXMTRP-CYBMUJFWSA-N 1 2 360.389 3.021 20 5 FGBDLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000126448467 494754833 /nfs/dbraw/zinc/75/48/33/494754833.db2.gz DNELPUDTMBTWGE-UHFFFAOYSA-N 1 2 364.405 3.463 20 5 FGBDLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000126448467 494754840 /nfs/dbraw/zinc/75/48/40/494754840.db2.gz DNELPUDTMBTWGE-UHFFFAOYSA-N 1 2 364.405 3.463 20 5 FGBDLO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000116426636 494783270 /nfs/dbraw/zinc/78/32/70/494783270.db2.gz HNBLUMNMVCJRGL-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093234227 494848044 /nfs/dbraw/zinc/84/80/44/494848044.db2.gz WYJDBXGIDAFGKB-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093234227 494848048 /nfs/dbraw/zinc/84/80/48/494848048.db2.gz WYJDBXGIDAFGKB-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000116883378 494866112 /nfs/dbraw/zinc/86/61/12/494866112.db2.gz LNSFAHOAZNNPLG-UHFFFAOYSA-N 1 2 369.421 3.385 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)cs2)c1 ZINC000093611519 494904142 /nfs/dbraw/zinc/90/41/42/494904142.db2.gz OVHOZMLMPZMFAG-CQSZACIVSA-N 1 2 373.356 3.217 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)cs2)c1 ZINC000093611519 494904146 /nfs/dbraw/zinc/90/41/46/494904146.db2.gz OVHOZMLMPZMFAG-CQSZACIVSA-N 1 2 373.356 3.217 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122927559 495054041 /nfs/dbraw/zinc/05/40/41/495054041.db2.gz WYBHWTXQQIGBNN-VBQJREDUSA-N 1 2 374.466 3.382 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000128190967 495058808 /nfs/dbraw/zinc/05/88/08/495058808.db2.gz TXGSXBSTHBASFR-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000128190967 495058811 /nfs/dbraw/zinc/05/88/11/495058811.db2.gz TXGSXBSTHBASFR-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCCCC1 ZINC000113341319 495298176 /nfs/dbraw/zinc/29/81/76/495298176.db2.gz PQBUVNLIZIOMFM-UHFFFAOYSA-N 1 2 374.466 3.257 20 5 FGBDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577689978 505775810 /nfs/dbraw/zinc/77/58/10/505775810.db2.gz OUYIURDLFGKPQM-HNNXBMFYSA-N 1 2 368.437 3.400 20 5 FGBDLO CCc1cc(NCCSCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000105604970 495376279 /nfs/dbraw/zinc/37/62/79/495376279.db2.gz GVTXHRSZNOKUAF-UHFFFAOYSA-N 1 2 362.455 3.142 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114706195 495412511 /nfs/dbraw/zinc/41/25/11/495412511.db2.gz RPDOMVPUWPPJLR-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO CCc1cc(NCC2(OC)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000120597108 495413697 /nfs/dbraw/zinc/41/36/97/495413697.db2.gz BADFBNSCFAJKJY-UHFFFAOYSA-N 1 2 372.425 3.222 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C1CC1)C1CCCC1 ZINC000130984484 495475571 /nfs/dbraw/zinc/47/55/71/495475571.db2.gz VERCSWGBFNIRGV-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C1CC1)C1CCCC1 ZINC000130984484 495475574 /nfs/dbraw/zinc/47/55/74/495475574.db2.gz VERCSWGBFNIRGV-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000131258931 495513156 /nfs/dbraw/zinc/51/31/56/495513156.db2.gz RMSHUTGWZYDVPQ-GFCCVEGCSA-N 1 2 357.395 3.118 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107181582 495523179 /nfs/dbraw/zinc/52/31/79/495523179.db2.gz ICTRLZHEPPLTBF-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000158533526 495532003 /nfs/dbraw/zinc/53/20/03/495532003.db2.gz SZYIXKRQUNVTLL-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000158533526 495532006 /nfs/dbraw/zinc/53/20/06/495532006.db2.gz SZYIXKRQUNVTLL-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000179518677 495625105 /nfs/dbraw/zinc/62/51/05/495625105.db2.gz OQUDROKFVTWIEZ-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000179518677 495625110 /nfs/dbraw/zinc/62/51/10/495625110.db2.gz OQUDROKFVTWIEZ-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO C[N@H+](CCOCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154673531 495691267 /nfs/dbraw/zinc/69/12/67/495691267.db2.gz JYFXVPYJRJGCEY-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[N@@H+](CCOCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154673531 495691274 /nfs/dbraw/zinc/69/12/74/495691274.db2.gz JYFXVPYJRJGCEY-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015142 495788804 /nfs/dbraw/zinc/78/88/04/495788804.db2.gz DXLHBTMQLMTNFH-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015142 495788810 /nfs/dbraw/zinc/78/88/10/495788810.db2.gz DXLHBTMQLMTNFH-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186179794 495886903 /nfs/dbraw/zinc/88/69/03/495886903.db2.gz AYLARPSXTJLDNH-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186179794 495886910 /nfs/dbraw/zinc/88/69/10/495886910.db2.gz AYLARPSXTJLDNH-UHFFFAOYSA-N 1 2 367.405 3.089 20 5 FGBDLO Cc1ccc(F)cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180190592 495898472 /nfs/dbraw/zinc/89/84/72/495898472.db2.gz DEZOJBZJDMTHLP-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171589227 495939654 /nfs/dbraw/zinc/93/96/54/495939654.db2.gz IHZLYISVAHGONN-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000183364192 495947888 /nfs/dbraw/zinc/94/78/88/495947888.db2.gz NUJGKVCCGXHXDR-GHMZBOCLSA-N 1 2 356.386 3.099 20 5 FGBDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000160428656 495960555 /nfs/dbraw/zinc/96/05/55/495960555.db2.gz QFNRWXHPLGBVPL-UHFFFAOYSA-N 1 2 367.409 3.209 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186655096 496092509 /nfs/dbraw/zinc/09/25/09/496092509.db2.gz GAOGKXRHQHJXCO-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186655096 496092513 /nfs/dbraw/zinc/09/25/13/496092513.db2.gz GAOGKXRHQHJXCO-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000175120476 496255283 /nfs/dbraw/zinc/25/52/83/496255283.db2.gz AYDBAUYYDSWERF-SFHVURJKSA-N 1 2 356.426 3.123 20 5 FGBDLO CN(C(=O)C[N@H+]1CCCC[C@H]1c1cccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000175120476 496255287 /nfs/dbraw/zinc/25/52/87/496255287.db2.gz AYDBAUYYDSWERF-SFHVURJKSA-N 1 2 356.426 3.123 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000172414199 496288187 /nfs/dbraw/zinc/28/81/87/496288187.db2.gz PEXYGBAIGXNPRS-UHFFFAOYSA-N 1 2 351.366 3.317 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175198331 496288385 /nfs/dbraw/zinc/28/83/85/496288385.db2.gz XXSMEOUOYHTEDH-UHFFFAOYSA-N 1 2 369.377 3.420 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175198331 496288391 /nfs/dbraw/zinc/28/83/91/496288391.db2.gz XXSMEOUOYHTEDH-UHFFFAOYSA-N 1 2 369.377 3.420 20 5 FGBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000184256344 496306772 /nfs/dbraw/zinc/30/67/72/496306772.db2.gz PZLIFYFJMXWUIT-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO C[C@@H]1COc2ccccc2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175349677 496351207 /nfs/dbraw/zinc/35/12/07/496351207.db2.gz GJHUYFVMIJUFGB-CYBMUJFWSA-N 1 2 364.361 3.208 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000162457836 496355326 /nfs/dbraw/zinc/35/53/26/496355326.db2.gz OEZPZUMVICXBTH-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175408689 496378807 /nfs/dbraw/zinc/37/88/07/496378807.db2.gz CSMNOALFJVNTAX-RDJZCZTQSA-N 1 2 372.450 3.281 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153290270 496410901 /nfs/dbraw/zinc/41/09/01/496410901.db2.gz RIFFYCOTHJGGGH-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153290270 496410907 /nfs/dbraw/zinc/41/09/07/496410907.db2.gz RIFFYCOTHJGGGH-HNNXBMFYSA-N 1 2 353.422 3.000 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181675524 496498547 /nfs/dbraw/zinc/49/85/47/496498547.db2.gz BFGUEEWHUGJNOD-CYBMUJFWSA-N 1 2 366.364 3.135 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181675524 496498548 /nfs/dbraw/zinc/49/85/48/496498548.db2.gz BFGUEEWHUGJNOD-CYBMUJFWSA-N 1 2 366.364 3.135 20 5 FGBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184719852 496506411 /nfs/dbraw/zinc/50/64/11/496506411.db2.gz FYDDEMNRVBXOHC-DZGCQCFKSA-N 1 2 361.398 3.109 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000172992182 496512520 /nfs/dbraw/zinc/51/25/20/496512520.db2.gz QJZSJTTUGVZJFJ-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184795656 496535252 /nfs/dbraw/zinc/53/52/52/496535252.db2.gz INLPUBIVOBWTER-SWLSCSKDSA-N 1 2 361.398 3.055 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000157954223 496593630 /nfs/dbraw/zinc/59/36/30/496593630.db2.gz RXKIRCOKAIEMAG-UHFFFAOYSA-N 1 2 372.368 3.350 20 5 FGBDLO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000157954223 496593632 /nfs/dbraw/zinc/59/36/32/496593632.db2.gz RXKIRCOKAIEMAG-UHFFFAOYSA-N 1 2 372.368 3.350 20 5 FGBDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000181950898 496610511 /nfs/dbraw/zinc/61/05/11/496610511.db2.gz MRCFJCKYDYKEIB-KDOFPFPSSA-N 1 2 360.435 3.062 20 5 FGBDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000181950898 496610517 /nfs/dbraw/zinc/61/05/17/496610517.db2.gz MRCFJCKYDYKEIB-KDOFPFPSSA-N 1 2 360.435 3.062 20 5 FGBDLO CCOC(=O)C[C@@H](C)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182087884 496665292 /nfs/dbraw/zinc/66/52/92/496665292.db2.gz KDEXTNPOODUMBZ-CYBMUJFWSA-N 1 2 358.398 3.138 20 5 FGBDLO CC(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000188069799 496671546 /nfs/dbraw/zinc/67/15/46/496671546.db2.gz XKXRMMUGRKGKIS-HNNXBMFYSA-N 1 2 354.410 3.122 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000158340905 496680147 /nfs/dbraw/zinc/68/01/47/496680147.db2.gz DEBFDXYZGLQVKN-AOIWGVFYSA-N 1 2 364.442 3.150 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000158340905 496680153 /nfs/dbraw/zinc/68/01/53/496680153.db2.gz DEBFDXYZGLQVKN-AOIWGVFYSA-N 1 2 364.442 3.150 20 5 FGBDLO COc1cccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000185182530 496695641 /nfs/dbraw/zinc/69/56/41/496695641.db2.gz UCWWTDGYNKGRNZ-ZIAGYGMSSA-N 1 2 372.425 3.224 20 5 FGBDLO COc1cccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000185182510 496695748 /nfs/dbraw/zinc/69/57/48/496695748.db2.gz UCWWTDGYNKGRNZ-KBPBESRZSA-N 1 2 372.425 3.224 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000179239658 496719110 /nfs/dbraw/zinc/71/91/10/496719110.db2.gz NHWVQUMVCBJSEB-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000179239658 496719113 /nfs/dbraw/zinc/71/91/13/496719113.db2.gz NHWVQUMVCBJSEB-UHFFFAOYSA-N 1 2 374.462 3.423 20 5 FGBDLO COCC(C)(C)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000574841147 505865262 /nfs/dbraw/zinc/86/52/62/505865262.db2.gz WECTYDHAFUCMJT-UHFFFAOYSA-N 1 2 365.474 3.292 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)cc1SC ZINC000264006394 496787746 /nfs/dbraw/zinc/78/77/46/496787746.db2.gz MZZVDIABPQRAHG-UHFFFAOYSA-N 1 2 362.411 3.039 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)Cc3ccccc3)n2)cc1 ZINC000268988374 496843657 /nfs/dbraw/zinc/84/36/57/496843657.db2.gz RFLPTUCMFKRXKS-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)Cc3ccccc3)n2)cc1 ZINC000268988374 496843661 /nfs/dbraw/zinc/84/36/61/496843661.db2.gz RFLPTUCMFKRXKS-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2ccc(F)cc2C1 ZINC000574872879 505873001 /nfs/dbraw/zinc/87/30/01/505873001.db2.gz CDBVJTRUFHFWIZ-UHFFFAOYSA-N 1 2 371.412 3.129 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000188928584 496951430 /nfs/dbraw/zinc/95/14/30/496951430.db2.gz GUKGONUUJCSVSW-UHFFFAOYSA-N 1 2 368.437 3.071 20 5 FGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000248366423 496984231 /nfs/dbraw/zinc/98/42/31/496984231.db2.gz SBOARVBWSDJXHR-UWVGGRQHSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000248366423 496984227 /nfs/dbraw/zinc/98/42/27/496984227.db2.gz SBOARVBWSDJXHR-UWVGGRQHSA-N 1 2 356.220 3.026 20 5 FGBDLO CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000270958480 497233583 /nfs/dbraw/zinc/23/35/83/497233583.db2.gz YYBJDAZBFVFVNL-WMLDXEAASA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000270999875 497243314 /nfs/dbraw/zinc/24/33/14/497243314.db2.gz KXFMYCGUDTVUFB-QGZVFWFLSA-N 1 2 374.466 3.225 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000193189790 497320992 /nfs/dbraw/zinc/32/09/92/497320992.db2.gz VXNRLHHRZKHCLD-UHFFFAOYSA-N 1 2 367.365 3.234 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000279617661 497487687 /nfs/dbraw/zinc/48/76/87/497487687.db2.gz YAAAZMZSPQHVSQ-CHWSQXEVSA-N 1 2 352.398 3.495 20 5 FGBDLO CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH]cc[nH+]1 ZINC000276590781 497608042 /nfs/dbraw/zinc/60/80/42/497608042.db2.gz KIQJRAWWGCDTNB-KRWDZBQOSA-N 1 2 371.441 3.048 20 5 FGBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000267802110 497620367 /nfs/dbraw/zinc/62/03/67/497620367.db2.gz KXEGXUAXOWRWHA-LSDHHAIUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000267802110 497620369 /nfs/dbraw/zinc/62/03/69/497620369.db2.gz KXEGXUAXOWRWHA-LSDHHAIUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@H](O)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272509141 497647446 /nfs/dbraw/zinc/64/74/46/497647446.db2.gz IQLZQCDZCFOCRB-IFXJQAMLSA-N 1 2 366.421 3.261 20 5 FGBDLO CCC(=O)c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000280118771 497654698 /nfs/dbraw/zinc/65/46/98/497654698.db2.gz WKWTZNLCZGDXBK-UHFFFAOYSA-N 1 2 370.409 3.031 20 5 FGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268226499 497706065 /nfs/dbraw/zinc/70/60/65/497706065.db2.gz DMVTZJQVXGCLQT-RISCZKNCSA-N 1 2 352.341 3.480 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000268347015 497730944 /nfs/dbraw/zinc/73/09/44/497730944.db2.gz BZKOOTALBVCLAI-WFASDCNBSA-N 1 2 354.366 3.261 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000280628284 497833268 /nfs/dbraw/zinc/83/32/68/497833268.db2.gz LMGGKMHWKLZGJD-CYBMUJFWSA-N 1 2 366.780 3.407 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296056212 497906477 /nfs/dbraw/zinc/90/64/77/497906477.db2.gz ZNFLMDVOVXTEQJ-WFASDCNBSA-N 1 2 374.466 3.419 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000296169860 497941837 /nfs/dbraw/zinc/94/18/37/497941837.db2.gz LJKNILHLHUXBJT-OAHLLOKOSA-N 1 2 362.817 3.134 20 5 FGBDLO CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128340 497964254 /nfs/dbraw/zinc/96/42/54/497964254.db2.gz VUZHEFDGBXKAPQ-DGCLKSJQSA-N 1 2 357.414 3.075 20 5 FGBDLO CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128343 497964373 /nfs/dbraw/zinc/96/43/73/497964373.db2.gz VUZHEFDGBXKAPQ-YPMHNXCESA-N 1 2 357.414 3.075 20 5 FGBDLO COc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301349285 498068682 /nfs/dbraw/zinc/06/86/82/498068682.db2.gz JEQKPGZORKTVIM-QGZVFWFLSA-N 1 2 357.410 3.089 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000578591993 505975431 /nfs/dbraw/zinc/97/54/31/505975431.db2.gz OBJCHRMNRDJXQS-GFCCVEGCSA-N 1 2 359.430 3.074 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000578591993 505975433 /nfs/dbraw/zinc/97/54/33/505975433.db2.gz OBJCHRMNRDJXQS-GFCCVEGCSA-N 1 2 359.430 3.074 20 5 FGBDLO COc1cc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000301382114 498084716 /nfs/dbraw/zinc/08/47/16/498084716.db2.gz ZQXUAQJZWZFIJN-UHFFFAOYSA-N 1 2 371.441 3.152 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000289524319 498179630 /nfs/dbraw/zinc/17/96/30/498179630.db2.gz LMPBGDMVZFWRQB-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000289524319 498179637 /nfs/dbraw/zinc/17/96/37/498179637.db2.gz LMPBGDMVZFWRQB-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301601692 498182719 /nfs/dbraw/zinc/18/27/19/498182719.db2.gz VRDIAGGZYAJJCW-LLVKDONJSA-N 1 2 354.863 3.170 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1)C1CC1 ZINC000289547047 498188569 /nfs/dbraw/zinc/18/85/69/498188569.db2.gz CYMXXVPGFGIHCN-UHFFFAOYSA-N 1 2 372.252 3.392 20 5 FGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285767041 498195294 /nfs/dbraw/zinc/19/52/94/498195294.db2.gz SNFCMIMQJJEWQN-UHFFFAOYSA-N 1 2 357.370 3.275 20 5 FGBDLO COC(=O)c1cc(NCc2cc[nH+]c(N3CCCC3)c2)cc(C)c1[N+](=O)[O-] ZINC000301673298 498217325 /nfs/dbraw/zinc/21/73/25/498217325.db2.gz GJNLSYDKHRWTQI-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1NCCCCNc1cccc[nH+]1 ZINC000301691323 498226219 /nfs/dbraw/zinc/22/62/19/498226219.db2.gz NTWSLEOIFMJAIU-UHFFFAOYSA-N 1 2 366.219 3.452 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000360131000 498248655 /nfs/dbraw/zinc/24/86/55/498248655.db2.gz QSNJVMNTWXPERG-UHFFFAOYSA-N 1 2 368.397 3.135 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000281736869 498252107 /nfs/dbraw/zinc/25/21/07/498252107.db2.gz JDYNHGWCAKICSI-KRWDZBQOSA-N 1 2 371.441 3.001 20 5 FGBDLO C[C@@]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000569750966 506007918 /nfs/dbraw/zinc/00/79/18/506007918.db2.gz UVCQAOQOLLSWQB-INIZCTEOSA-N 1 2 367.327 3.104 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282409186 498500569 /nfs/dbraw/zinc/50/05/69/498500569.db2.gz SNJZISMLLTZJJA-MRXNPFEDSA-N 1 2 368.437 3.076 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282409177 498500987 /nfs/dbraw/zinc/50/09/87/498500987.db2.gz SNJZISMLLTZJJA-INIZCTEOSA-N 1 2 368.437 3.076 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302781863 498572286 /nfs/dbraw/zinc/57/22/86/498572286.db2.gz SDRVEHLFSYWMCX-AWEZNQCLSA-N 1 2 370.331 3.287 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000365789761 498641298 /nfs/dbraw/zinc/64/12/98/498641298.db2.gz MZTMKIRKVJYJSL-AWEZNQCLSA-N 1 2 372.428 3.045 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000294298873 498649594 /nfs/dbraw/zinc/64/95/94/498649594.db2.gz WWJNIWHIRHXVOM-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000294298873 498649600 /nfs/dbraw/zinc/64/96/00/498649600.db2.gz WWJNIWHIRHXVOM-GFCCVEGCSA-N 1 2 374.359 3.384 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 ZINC000291019692 498760480 /nfs/dbraw/zinc/76/04/80/498760480.db2.gz XPMMTARQHJOBQB-AWEZNQCLSA-N 1 2 352.341 3.148 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 ZINC000291019692 498760487 /nfs/dbraw/zinc/76/04/87/498760487.db2.gz XPMMTARQHJOBQB-AWEZNQCLSA-N 1 2 352.341 3.148 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287578027 498802709 /nfs/dbraw/zinc/80/27/09/498802709.db2.gz DJROGYWNFXTADM-CQSZACIVSA-N 1 2 373.413 3.033 20 5 FGBDLO CCn1cc[nH+]c1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000295057788 498893802 /nfs/dbraw/zinc/89/38/02/498893802.db2.gz VDBRGXBLOZXPRP-UHFFFAOYSA-N 1 2 365.262 3.472 20 5 FGBDLO Cc1cc(C2=CC[N@H+](Cc3ncnn3C(C)(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000367305236 499177229 /nfs/dbraw/zinc/17/72/29/499177229.db2.gz LLVYEGHQICQDPH-UHFFFAOYSA-N 1 2 370.457 3.121 20 5 FGBDLO Cc1cc(C2=CC[N@@H+](Cc3ncnn3C(C)(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000367305236 499177231 /nfs/dbraw/zinc/17/72/31/499177231.db2.gz LLVYEGHQICQDPH-UHFFFAOYSA-N 1 2 370.457 3.121 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)c1 ZINC000369018669 499357673 /nfs/dbraw/zinc/35/76/73/499357673.db2.gz MEDWXOKIGDNJMA-INIZCTEOSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)c1 ZINC000369018669 499357675 /nfs/dbraw/zinc/35/76/75/499357675.db2.gz MEDWXOKIGDNJMA-INIZCTEOSA-N 1 2 371.372 3.423 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372247411 499412944 /nfs/dbraw/zinc/41/29/44/499412944.db2.gz ABQRDLQATKKPBW-KGLIPLIRSA-N 1 2 374.466 3.274 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000372248413 499413206 /nfs/dbraw/zinc/41/32/06/499413206.db2.gz HIVDJSQFVVVANF-NSHDSACASA-N 1 2 363.805 3.452 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752906 499486386 /nfs/dbraw/zinc/48/63/86/499486386.db2.gz ZMSLJRYUIFEUIU-CRAIPNDOSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752906 499486387 /nfs/dbraw/zinc/48/63/87/499486387.db2.gz ZMSLJRYUIFEUIU-CRAIPNDOSA-N 1 2 370.405 3.425 20 5 FGBDLO Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378269553 499496687 /nfs/dbraw/zinc/49/66/87/499496687.db2.gz IUNMHYFPEAAGQR-UHFFFAOYSA-N 1 2 364.409 3.467 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000375243427 499498484 /nfs/dbraw/zinc/49/84/84/499498484.db2.gz XYRAWMIYIAITTN-QGZVFWFLSA-N 1 2 358.394 3.051 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@H](O)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000375243427 499498485 /nfs/dbraw/zinc/49/84/85/499498485.db2.gz XYRAWMIYIAITTN-QGZVFWFLSA-N 1 2 358.394 3.051 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488789 499523563 /nfs/dbraw/zinc/52/35/63/499523563.db2.gz BLWBPGOFICXAOH-RDJZCZTQSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488789 499523565 /nfs/dbraw/zinc/52/35/65/499523565.db2.gz BLWBPGOFICXAOH-RDJZCZTQSA-N 1 2 374.393 3.007 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411993884 499810978 /nfs/dbraw/zinc/81/09/78/499810978.db2.gz YCYNAXLYLSPKOA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411993884 499810979 /nfs/dbraw/zinc/81/09/79/499810979.db2.gz YCYNAXLYLSPKOA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000412191997 499832404 /nfs/dbraw/zinc/83/24/04/499832404.db2.gz ZLWZMRIJVZVRKI-WMLDXEAASA-N 1 2 372.425 3.302 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413027815 499905073 /nfs/dbraw/zinc/90/50/73/499905073.db2.gz NJTYPWUEYHQCKP-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000413194644 499925228 /nfs/dbraw/zinc/92/52/28/499925228.db2.gz IFEXVVHLIJEAFT-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(F)c1 ZINC000413229682 499930079 /nfs/dbraw/zinc/93/00/79/499930079.db2.gz RKNGHVGVWWAKLS-UHFFFAOYSA-N 1 2 367.384 3.131 20 5 FGBDLO Cc1noc(C2(C)CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413249255 499932502 /nfs/dbraw/zinc/93/25/02/499932502.db2.gz STYQRTHPUNTXGB-UHFFFAOYSA-N 1 2 353.382 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000413281893 499936734 /nfs/dbraw/zinc/93/67/34/499936734.db2.gz ODOZKNSQXQFBOR-FZMZJTMJSA-N 1 2 355.316 3.140 20 5 FGBDLO Cn1ccnc1[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413313096 499940247 /nfs/dbraw/zinc/94/02/47/499940247.db2.gz GYHRGLDTSFNDCF-CJNGLKHVSA-N 1 2 353.382 3.209 20 5 FGBDLO CCN(CCOC)c1cccc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC000570438154 506167856 /nfs/dbraw/zinc/16/78/56/506167856.db2.gz SEFZJJXZZJKYDQ-UHFFFAOYSA-N 1 2 369.425 3.169 20 5 FGBDLO Cc1cccc2c1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000429217288 500025096 /nfs/dbraw/zinc/02/50/96/500025096.db2.gz RVULXCWPBDMAHY-UHFFFAOYSA-N 1 2 362.389 3.287 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)cs2)c1 ZINC000425358053 500084870 /nfs/dbraw/zinc/08/48/70/500084870.db2.gz YZLKNGFVGLHFQZ-INIZCTEOSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](n4ccnn4)C3)cs2)c1 ZINC000425358053 500084872 /nfs/dbraw/zinc/08/48/72/500084872.db2.gz YZLKNGFVGLHFQZ-INIZCTEOSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000425412585 500097496 /nfs/dbraw/zinc/09/74/96/500097496.db2.gz FVNDJQBNWNCPNW-JSGCOSHPSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000425412585 500097501 /nfs/dbraw/zinc/09/75/01/500097501.db2.gz FVNDJQBNWNCPNW-JSGCOSHPSA-N 1 2 373.272 3.064 20 5 FGBDLO Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C)[nH+]1 ZINC000422204708 500233789 /nfs/dbraw/zinc/23/37/89/500233789.db2.gz JKWZEEZNWMDCEP-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000431433619 500376946 /nfs/dbraw/zinc/37/69/46/500376946.db2.gz VFGPWEFWZAUZHC-UHFFFAOYSA-N 1 2 366.377 3.006 20 5 FGBDLO CCc1cc(NCCCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420645811 500482388 /nfs/dbraw/zinc/48/23/88/500482388.db2.gz XADQLNAVXGASCA-UHFFFAOYSA-N 1 2 356.426 3.143 20 5 FGBDLO CN(CCc1ccccc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804577 500666137 /nfs/dbraw/zinc/66/61/37/500666137.db2.gz GEGIQCRTYNMAMP-UHFFFAOYSA-N 1 2 355.438 3.106 20 5 FGBDLO CC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443129856 500685238 /nfs/dbraw/zinc/68/52/38/500685238.db2.gz HPTHDYVNBXKZAR-NSHDSACASA-N 1 2 352.778 3.008 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1[nH+]ccn1CC(C)C ZINC000433406314 500688529 /nfs/dbraw/zinc/68/85/29/500688529.db2.gz NROLSHOUJPFHPG-UHFFFAOYSA-N 1 2 364.377 3.375 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437823507 500701720 /nfs/dbraw/zinc/70/17/20/500701720.db2.gz OWHQTWCWGCQNIE-MRXNPFEDSA-N 1 2 369.421 3.249 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437823507 500701723 /nfs/dbraw/zinc/70/17/23/500701723.db2.gz OWHQTWCWGCQNIE-MRXNPFEDSA-N 1 2 369.421 3.249 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329477 500710410 /nfs/dbraw/zinc/71/04/10/500710410.db2.gz BNOVSVVQDZJJES-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329477 500710412 /nfs/dbraw/zinc/71/04/12/500710412.db2.gz BNOVSVVQDZJJES-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444070143 500799357 /nfs/dbraw/zinc/79/93/57/500799357.db2.gz CMJFUGUBVZRTKD-FQEVSTJZSA-N 1 2 363.461 3.094 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444070143 500799361 /nfs/dbraw/zinc/79/93/61/500799361.db2.gz CMJFUGUBVZRTKD-FQEVSTJZSA-N 1 2 363.461 3.094 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434368996 500833304 /nfs/dbraw/zinc/83/33/04/500833304.db2.gz ILLCFLLUEQVFQR-UHFFFAOYSA-N 1 2 368.368 3.103 20 5 FGBDLO Cc1[nH]nc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1[N+](=O)[O-] ZINC000444543210 500857696 /nfs/dbraw/zinc/85/76/96/500857696.db2.gz JLQKUPDGDYOQHD-UHFFFAOYSA-N 1 2 366.381 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)nc2c1 ZINC000444596561 500864276 /nfs/dbraw/zinc/86/42/76/500864276.db2.gz LMSIDHJRACBPEV-UHFFFAOYSA-N 1 2 374.404 3.215 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)nc2c1 ZINC000444596561 500864281 /nfs/dbraw/zinc/86/42/81/500864281.db2.gz LMSIDHJRACBPEV-UHFFFAOYSA-N 1 2 374.404 3.215 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCc4c([nH+]cn4-c4ccccc4)C3)nc2c1 ZINC000444667311 500875075 /nfs/dbraw/zinc/87/50/75/500875075.db2.gz CBCHWEYONKFIOT-UHFFFAOYSA-N 1 2 374.404 3.215 20 5 FGBDLO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444783918 500900016 /nfs/dbraw/zinc/90/00/16/500900016.db2.gz LQFJEKIKMOQKBI-UHFFFAOYSA-N 1 2 368.231 3.314 20 5 FGBDLO O=C(C[N@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444783918 500900018 /nfs/dbraw/zinc/90/00/18/500900018.db2.gz LQFJEKIKMOQKBI-UHFFFAOYSA-N 1 2 368.231 3.314 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436103389 501071240 /nfs/dbraw/zinc/07/12/40/501071240.db2.gz RZSDETKFCGATRG-UHFFFAOYSA-N 1 2 372.428 3.072 20 5 FGBDLO CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000436158185 501080219 /nfs/dbraw/zinc/08/02/19/501080219.db2.gz CKTBVNVGCNACBF-IINYFYTJSA-N 1 2 370.331 3.487 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)c2ccsc2)cc1Br ZINC000602620613 506234906 /nfs/dbraw/zinc/23/49/06/506234906.db2.gz YGGOFURXYHYLSG-SNVBAGLBSA-N 1 2 363.258 3.304 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(C(F)(F)F)CC1 ZINC000449994813 501147981 /nfs/dbraw/zinc/14/79/81/501147981.db2.gz VAKSQQHNDNMDGI-UHFFFAOYSA-N 1 2 368.315 3.195 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1 ZINC000446735088 501158575 /nfs/dbraw/zinc/15/85/75/501158575.db2.gz INMDHVHZDXYIAB-LJQANCHMSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1 ZINC000446735088 501158578 /nfs/dbraw/zinc/15/85/78/501158578.db2.gz INMDHVHZDXYIAB-LJQANCHMSA-N 1 2 351.406 3.149 20 5 FGBDLO CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450050981 501164742 /nfs/dbraw/zinc/16/47/42/501164742.db2.gz HGWTZJBHIFFKKM-APWZRJJASA-N 1 2 372.425 3.056 20 5 FGBDLO CCSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450055098 501166392 /nfs/dbraw/zinc/16/63/92/501166392.db2.gz BDBLCIRSVUCDBU-CYBMUJFWSA-N 1 2 362.455 3.384 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000450256673 501220156 /nfs/dbraw/zinc/22/01/56/501220156.db2.gz RBXWHSIMAFVVKD-CQSZACIVSA-N 1 2 369.381 3.266 20 5 FGBDLO Cc1ccc[nH+]c1CCc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000453219857 501294025 /nfs/dbraw/zinc/29/40/25/501294025.db2.gz IMQYWQGUHHZPOB-UHFFFAOYSA-N 1 2 353.382 3.121 20 5 FGBDLO O=C(NCC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451480747 501302743 /nfs/dbraw/zinc/30/27/43/501302743.db2.gz PUPSBBDKKYMZAV-UHFFFAOYSA-N 1 2 364.352 3.336 20 5 FGBDLO Cn1cc(Br)c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000453310484 501312672 /nfs/dbraw/zinc/31/26/72/501312672.db2.gz REZJGRVYBKXMBJ-CQSZACIVSA-N 1 2 365.231 3.258 20 5 FGBDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550797 501320844 /nfs/dbraw/zinc/32/08/44/501320844.db2.gz RYRJPIKTSVTKRB-OCCSQVGLSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550797 501320847 /nfs/dbraw/zinc/32/08/47/501320847.db2.gz RYRJPIKTSVTKRB-OCCSQVGLSA-N 1 2 360.439 3.258 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846826 501321103 /nfs/dbraw/zinc/32/11/03/501321103.db2.gz BXIJZERPZUOOQA-UHFFFAOYSA-N 1 2 362.455 3.193 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCC[C@@H]21 ZINC000452152892 501447280 /nfs/dbraw/zinc/44/72/80/501447280.db2.gz DFEVKLWYVWREMI-LSDHHAIUSA-N 1 2 354.410 3.431 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359641 501508687 /nfs/dbraw/zinc/50/86/87/501508687.db2.gz CWEMDIURXKFFOM-PWSUYJOCSA-N 1 2 364.789 3.036 20 5 FGBDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2nccn21 ZINC000602682542 506260285 /nfs/dbraw/zinc/26/02/85/506260285.db2.gz LZHRVXHQRKBDCI-XVKPBYJWSA-N 1 2 357.233 3.411 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000602690020 506262710 /nfs/dbraw/zinc/26/27/10/506262710.db2.gz IQFNSLIONLKTMF-UHFFFAOYSA-N 1 2 366.339 3.360 20 5 FGBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602680948 506260375 /nfs/dbraw/zinc/26/03/75/506260375.db2.gz IIIGPTQBYNGNLS-QMMMGPOBSA-N 1 2 359.249 3.486 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459066784 501587175 /nfs/dbraw/zinc/58/71/75/501587175.db2.gz VDEYMVOQOVQCER-CYBMUJFWSA-N 1 2 357.414 3.246 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611700288 506262544 /nfs/dbraw/zinc/26/25/44/506262544.db2.gz NVOCCIBJOWVREK-QGZVFWFLSA-N 1 2 360.377 3.473 20 5 FGBDLO Cc1cc(C)c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000456837142 501608106 /nfs/dbraw/zinc/60/81/06/501608106.db2.gz KIWPOJCFQFXXKE-UHFFFAOYSA-N 1 2 363.801 3.345 20 5 FGBDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459620411 501688374 /nfs/dbraw/zinc/68/83/74/501688374.db2.gz KLFLPQHAKYKAAV-UHFFFAOYSA-N 1 2 358.442 3.426 20 5 FGBDLO Cn1cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c([N+](=O)[O-])n1 ZINC000602706891 506268242 /nfs/dbraw/zinc/26/82/42/506268242.db2.gz HFPBTDXAPPFYLN-UHFFFAOYSA-N 1 2 355.423 3.010 20 5 FGBDLO Cn1cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c([N+](=O)[O-])n1 ZINC000602706891 506268252 /nfs/dbraw/zinc/26/82/52/506268252.db2.gz HFPBTDXAPPFYLN-UHFFFAOYSA-N 1 2 355.423 3.010 20 5 FGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000460342558 501796505 /nfs/dbraw/zinc/79/65/05/501796505.db2.gz IBZCRESAAAWXJY-UHFFFAOYSA-N 1 2 360.757 3.304 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCC(F)(F)C1 ZINC000485419608 501816732 /nfs/dbraw/zinc/81/67/32/501816732.db2.gz ZBPNUMFFBQFBNR-CQSZACIVSA-N 1 2 355.385 3.274 20 5 FGBDLO O=C(C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000599011851 506276232 /nfs/dbraw/zinc/27/62/32/506276232.db2.gz AAVBXUXXNRRAMR-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000464102989 501899064 /nfs/dbraw/zinc/89/90/64/501899064.db2.gz VELWIEGAGWDPFM-UHFFFAOYSA-N 1 2 368.405 3.296 20 5 FGBDLO O=C(C[N@@H+]1CCC12CCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000471044785 501900904 /nfs/dbraw/zinc/90/09/04/501900904.db2.gz UTXIWXAYEQOXAX-UHFFFAOYSA-N 1 2 358.423 3.285 20 5 FGBDLO O=C(C[N@H+]1CCC12CCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000471044785 501900910 /nfs/dbraw/zinc/90/09/10/501900910.db2.gz UTXIWXAYEQOXAX-UHFFFAOYSA-N 1 2 358.423 3.285 20 5 FGBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000461193170 502034263 /nfs/dbraw/zinc/03/42/63/502034263.db2.gz GXZPRXPBKFRXQX-UHFFFAOYSA-N 1 2 363.377 3.191 20 5 FGBDLO Cc1c(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000478799236 502089776 /nfs/dbraw/zinc/08/97/76/502089776.db2.gz VOQLYXNHLABTFP-UHFFFAOYSA-N 1 2 365.393 3.088 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000596173244 506293375 /nfs/dbraw/zinc/29/33/75/506293375.db2.gz SEKCZBDEPOSPID-NSHDSACASA-N 1 2 363.215 3.443 20 5 FGBDLO CSc1cccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000486486424 502168253 /nfs/dbraw/zinc/16/82/53/502168253.db2.gz LSWIOHQUGXZAMR-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479381833 502240881 /nfs/dbraw/zinc/24/08/81/502240881.db2.gz SBQKVWCSERCWFB-UHFFFAOYSA-N 1 2 354.341 3.233 20 5 FGBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000475997072 502354278 /nfs/dbraw/zinc/35/42/78/502354278.db2.gz UEUGYUKXBOIREQ-UHFFFAOYSA-N 1 2 362.187 3.096 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCNc2ccccc2[N+](=O)[O-])c1C ZINC000476207153 502414048 /nfs/dbraw/zinc/41/40/48/502414048.db2.gz SXHWWURIASHOME-UHFFFAOYSA-N 1 2 372.425 3.076 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccsc1 ZINC000469505731 502444359 /nfs/dbraw/zinc/44/43/59/502444359.db2.gz XIKQTEIPXTVHIA-MRXNPFEDSA-N 1 2 363.439 3.175 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596225279 506318939 /nfs/dbraw/zinc/31/89/39/506318939.db2.gz QWZNDMOOXIJQGR-UHFFFAOYSA-N 1 2 353.382 3.195 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000470170999 502692603 /nfs/dbraw/zinc/69/26/03/502692603.db2.gz DGZXTWMHGGCWBT-NTCAYCPXSA-N 1 2 355.394 3.049 20 5 FGBDLO C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473912469 502746336 /nfs/dbraw/zinc/74/63/36/502746336.db2.gz NGTGIUGWXHVMAL-CYBMUJFWSA-N 1 2 366.377 3.319 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000484887597 502766582 /nfs/dbraw/zinc/76/65/82/502766582.db2.gz NMYHPXQHQOSRTB-UHFFFAOYSA-N 1 2 374.360 3.000 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000474071916 502798479 /nfs/dbraw/zinc/79/84/79/502798479.db2.gz GXPGJZUCAGULTF-UHFFFAOYSA-N 1 2 360.320 3.478 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000474098321 502807782 /nfs/dbraw/zinc/80/77/82/502807782.db2.gz RBKJOMPYBJFBON-UHFFFAOYSA-N 1 2 360.320 3.478 20 5 FGBDLO Cc1cc(Cl)cnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485085019 502814115 /nfs/dbraw/zinc/81/41/15/502814115.db2.gz AFRQZPNBTSDRTB-UHFFFAOYSA-N 1 2 357.757 3.390 20 5 FGBDLO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000496056649 502872102 /nfs/dbraw/zinc/87/21/02/502872102.db2.gz VDEATTMYHAWXSW-CYBMUJFWSA-N 1 2 357.410 3.160 20 5 FGBDLO COCC[N@H+](Cc1scnc1C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489428632 502955883 /nfs/dbraw/zinc/95/58/83/502955883.db2.gz NOOPNLPZNZMREJ-UHFFFAOYSA-N 1 2 369.418 3.156 20 5 FGBDLO COCC[N@@H+](Cc1scnc1C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489428632 502955886 /nfs/dbraw/zinc/95/58/86/502955886.db2.gz NOOPNLPZNZMREJ-UHFFFAOYSA-N 1 2 369.418 3.156 20 5 FGBDLO COCc1ccccc1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513761038 503017384 /nfs/dbraw/zinc/01/73/84/503017384.db2.gz LSCMEXZPAPMUGO-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000514128862 503094141 /nfs/dbraw/zinc/09/41/41/503094141.db2.gz OWMBCNUFDNHNTG-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000514128862 503094146 /nfs/dbraw/zinc/09/41/46/503094146.db2.gz OWMBCNUFDNHNTG-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000510358851 503098833 /nfs/dbraw/zinc/09/88/33/503098833.db2.gz ARWFZGBPEGUQOI-QGZVFWFLSA-N 1 2 369.425 3.154 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491238494 503289344 /nfs/dbraw/zinc/28/93/44/503289344.db2.gz HMBCXYCDRMGYGJ-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO Cn1cc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)nn1 ZINC000611931300 506366493 /nfs/dbraw/zinc/36/64/93/506366493.db2.gz MEUPCMKREMEEAT-UHFFFAOYSA-N 1 2 373.800 3.459 20 5 FGBDLO CCc1cc(N[C@H](C)[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503300748 503386008 /nfs/dbraw/zinc/38/60/08/503386008.db2.gz FTOPYSLPPXLTQN-HIFRSBDPSA-N 1 2 356.426 3.263 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000515925420 503421028 /nfs/dbraw/zinc/42/10/28/503421028.db2.gz UWFQNPMCQBAMDC-UHFFFAOYSA-N 1 2 361.361 3.480 20 5 FGBDLO CCc1cc(NCC2(C)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000499653531 503450531 /nfs/dbraw/zinc/45/05/31/503450531.db2.gz BJKBYBCNTNEEKR-UHFFFAOYSA-N 1 2 356.426 3.265 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000512243290 503495831 /nfs/dbraw/zinc/49/58/31/503495831.db2.gz KGROZYKEAIGSTH-UHFFFAOYSA-N 1 2 355.394 3.045 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000512243290 503495833 /nfs/dbraw/zinc/49/58/33/503495833.db2.gz KGROZYKEAIGSTH-UHFFFAOYSA-N 1 2 355.394 3.045 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(C)nn(C)c1C ZINC000543450806 503775717 /nfs/dbraw/zinc/77/57/17/503775717.db2.gz ZGRKSHNYKQCTBC-OAHLLOKOSA-N 1 2 370.413 3.236 20 5 FGBDLO Cc1ccn2cc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000543538066 503805085 /nfs/dbraw/zinc/80/50/85/503805085.db2.gz UPEKFGURUVIAIJ-LBPRGKRZSA-N 1 2 356.357 3.110 20 5 FGBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000543840162 503910616 /nfs/dbraw/zinc/91/06/16/503910616.db2.gz PQHYEDZOQYBFRA-QGZVFWFLSA-N 1 2 368.393 3.030 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540873527 503921526 /nfs/dbraw/zinc/92/15/26/503921526.db2.gz JTEABTCOSTXPEE-UHFFFAOYSA-N 1 2 370.796 3.497 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC000533803270 503955994 /nfs/dbraw/zinc/95/59/94/503955994.db2.gz SIUOTEYWLMVHRG-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC000533803270 503955999 /nfs/dbraw/zinc/95/59/99/503955999.db2.gz SIUOTEYWLMVHRG-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO COc1cc(C)[nH+]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000533839115 503966643 /nfs/dbraw/zinc/96/66/43/503966643.db2.gz IXQWXKXLLALVNX-UHFFFAOYSA-N 1 2 357.410 3.350 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)nc2c1 ZINC000530725089 504065881 /nfs/dbraw/zinc/06/58/81/504065881.db2.gz QCCUYJWZUHTXKP-LLVKDONJSA-N 1 2 359.304 3.279 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)nc2c1 ZINC000530725089 504065886 /nfs/dbraw/zinc/06/58/86/504065886.db2.gz QCCUYJWZUHTXKP-LLVKDONJSA-N 1 2 359.304 3.279 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519060847 504130434 /nfs/dbraw/zinc/13/04/34/504130434.db2.gz YYFGDWCFGXGJHT-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)cn1 ZINC000544611508 504190972 /nfs/dbraw/zinc/19/09/72/504190972.db2.gz SRYQBRIOXOTZGW-OWOJBTEDSA-N 1 2 360.364 3.103 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2ccon2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541718490 504233018 /nfs/dbraw/zinc/23/30/18/504233018.db2.gz LDTKPTNABIQHJH-SECBINFHSA-N 1 2 357.313 3.086 20 5 FGBDLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541728471 504234653 /nfs/dbraw/zinc/23/46/53/504234653.db2.gz SVXGTVQLSXQNGO-ZDUSSCGKSA-N 1 2 368.368 3.340 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000545444985 504488719 /nfs/dbraw/zinc/48/87/19/504488719.db2.gz SODVWSBUYOCCOS-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000545444985 504488726 /nfs/dbraw/zinc/48/87/26/504488726.db2.gz SODVWSBUYOCCOS-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000545444984 504488968 /nfs/dbraw/zinc/48/89/68/504488968.db2.gz SODVWSBUYOCCOS-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000545444984 504488974 /nfs/dbraw/zinc/48/89/74/504488974.db2.gz SODVWSBUYOCCOS-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO COc1cc(NCC=Cc2ccccc2[N+](=O)[O-])[nH+]cc1Br ZINC000539554822 504606251 /nfs/dbraw/zinc/60/62/51/504606251.db2.gz GMVJZRSMYWZCMD-GQCTYLIASA-N 1 2 364.199 3.308 20 5 FGBDLO Cn1c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1[N+](=O)[O-] ZINC000536045751 504616598 /nfs/dbraw/zinc/61/65/98/504616598.db2.gz NKEJCORZFODOKG-UHFFFAOYSA-N 1 2 363.377 3.101 20 5 FGBDLO C[C@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000532587562 504702747 /nfs/dbraw/zinc/70/27/47/504702747.db2.gz XBHGAUOCSOYEIE-AWEZNQCLSA-N 1 2 368.393 3.028 20 5 FGBDLO C[C@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000532587562 504702750 /nfs/dbraw/zinc/70/27/50/504702750.db2.gz XBHGAUOCSOYEIE-AWEZNQCLSA-N 1 2 368.393 3.028 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000539835761 504711207 /nfs/dbraw/zinc/71/12/07/504711207.db2.gz SUMMEFORNBKXGL-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO CCc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543138191 504739281 /nfs/dbraw/zinc/73/92/81/504739281.db2.gz DOPAOGFPTYLMRV-UHFFFAOYSA-N 1 2 362.451 3.063 20 5 FGBDLO CCc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543138191 504739283 /nfs/dbraw/zinc/73/92/83/504739283.db2.gz DOPAOGFPTYLMRV-UHFFFAOYSA-N 1 2 362.451 3.063 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539924053 504739948 /nfs/dbraw/zinc/73/99/48/504739948.db2.gz JZIANPDPEIQVCN-CQSZACIVSA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539924053 504739952 /nfs/dbraw/zinc/73/99/52/504739952.db2.gz JZIANPDPEIQVCN-CQSZACIVSA-N 1 2 366.311 3.478 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536508730 504750880 /nfs/dbraw/zinc/75/08/80/504750880.db2.gz VGPNHQMJUOZPIA-UHFFFAOYSA-N 1 2 369.768 3.307 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000532751618 504751727 /nfs/dbraw/zinc/75/17/27/504751727.db2.gz MTTFUGCUWQFGBW-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000532751618 504751729 /nfs/dbraw/zinc/75/17/29/504751729.db2.gz MTTFUGCUWQFGBW-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC=C(c2ccco2)C1 ZINC000553266741 504869432 /nfs/dbraw/zinc/86/94/32/504869432.db2.gz RTUROKISCAKPFS-UHFFFAOYSA-N 1 2 369.421 3.314 20 5 FGBDLO CCc1cc(NC[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553308620 504879235 /nfs/dbraw/zinc/87/92/35/504879235.db2.gz HMRKJMDKNZQGBS-HIFRSBDPSA-N 1 2 356.426 3.121 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000556529915 504897586 /nfs/dbraw/zinc/89/75/86/504897586.db2.gz IYVOYFYCSDJLEF-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000550306127 505017363 /nfs/dbraw/zinc/01/73/63/505017363.db2.gz QVQYTFQLEITTTI-UTUOFQBUSA-N 1 2 360.439 3.386 20 5 FGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000550306127 505017365 /nfs/dbraw/zinc/01/73/65/505017365.db2.gz QVQYTFQLEITTTI-UTUOFQBUSA-N 1 2 360.439 3.386 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000553908084 505039386 /nfs/dbraw/zinc/03/93/86/505039386.db2.gz UCKWXMSJQWWZCX-GUYCJALGSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000553908084 505039391 /nfs/dbraw/zinc/03/93/91/505039391.db2.gz UCKWXMSJQWWZCX-GUYCJALGSA-N 1 2 354.410 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccnc3)o2)cc1 ZINC000554242481 505124002 /nfs/dbraw/zinc/12/40/02/505124002.db2.gz ABQFFNMLFPQDDX-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccnc3)o2)cc1 ZINC000554242481 505124005 /nfs/dbraw/zinc/12/40/05/505124005.db2.gz ABQFFNMLFPQDDX-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000563636328 505197949 /nfs/dbraw/zinc/19/79/49/505197949.db2.gz MNTMRVIXELFXDG-GOSISDBHSA-N 1 2 356.357 3.052 20 5 FGBDLO Cc1cc(N[C@@H](CO)c2ccccc2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000563663667 505204566 /nfs/dbraw/zinc/20/45/66/505204566.db2.gz QHHCFPHFJIQDMW-SFHVURJKSA-N 1 2 364.405 3.236 20 5 FGBDLO O=C(NCCc1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000557699025 505206228 /nfs/dbraw/zinc/20/62/28/505206228.db2.gz FSTKKQYUMSSGGV-UHFFFAOYSA-N 1 2 372.331 3.031 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000563709878 505217610 /nfs/dbraw/zinc/21/76/10/505217610.db2.gz UWKXHOOBCZWKBN-OAHLLOKOSA-N 1 2 356.407 3.424 20 5 FGBDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000554836971 505276098 /nfs/dbraw/zinc/27/60/98/505276098.db2.gz DPENXXKQPWDYNJ-UHFFFAOYSA-N 1 2 367.405 3.256 20 5 FGBDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000554836971 505276102 /nfs/dbraw/zinc/27/61/02/505276102.db2.gz DPENXXKQPWDYNJ-UHFFFAOYSA-N 1 2 367.405 3.256 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000558473004 505401377 /nfs/dbraw/zinc/40/13/77/505401377.db2.gz TVOWXARMWHBCSE-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000567297168 505421647 /nfs/dbraw/zinc/42/16/47/505421647.db2.gz OJECZMGEJLAIGS-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000555417601 505427715 /nfs/dbraw/zinc/42/77/15/505427715.db2.gz CDUZWLBWKOLALR-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000555417601 505427719 /nfs/dbraw/zinc/42/77/19/505427719.db2.gz CDUZWLBWKOLALR-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555800392 505517579 /nfs/dbraw/zinc/51/75/79/505517579.db2.gz XFLYDBDBSHDJJS-UHFFFAOYSA-N 1 2 367.449 3.390 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555800392 505517580 /nfs/dbraw/zinc/51/75/80/505517580.db2.gz XFLYDBDBSHDJJS-UHFFFAOYSA-N 1 2 367.449 3.390 20 5 FGBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000552617500 505522908 /nfs/dbraw/zinc/52/29/08/505522908.db2.gz PUUNCYFONGEZIX-CQSZACIVSA-N 1 2 368.393 3.133 20 5 FGBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000552617500 505522911 /nfs/dbraw/zinc/52/29/11/505522911.db2.gz PUUNCYFONGEZIX-CQSZACIVSA-N 1 2 368.393 3.133 20 5 FGBDLO Cc1cc(N2CCCC[C@H]2[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596436454 506404249 /nfs/dbraw/zinc/40/42/49/506404249.db2.gz RWVKUAZFLWONMJ-DYVFJYSZSA-N 1 2 356.426 3.348 20 5 FGBDLO CCSC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000596510075 506440042 /nfs/dbraw/zinc/44/00/42/506440042.db2.gz CEJLXSPUQCVWAJ-UHFFFAOYSA-N 1 2 351.472 3.125 20 5 FGBDLO COc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1C ZINC000596552575 506457031 /nfs/dbraw/zinc/45/70/31/506457031.db2.gz OACBIOPPCQXTPW-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1C1CC1 ZINC000589201077 506481579 /nfs/dbraw/zinc/48/15/79/506481579.db2.gz BBTNRZHTSIEXDO-UHFFFAOYSA-N 1 2 359.357 3.083 20 5 FGBDLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000599635036 506542565 /nfs/dbraw/zinc/54/25/65/506542565.db2.gz JWGSUWMENFQQLD-AWEZNQCLSA-N 1 2 368.315 3.446 20 5 FGBDLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000599635036 506542566 /nfs/dbraw/zinc/54/25/66/506542566.db2.gz JWGSUWMENFQQLD-AWEZNQCLSA-N 1 2 368.315 3.446 20 5 FGBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000596829218 506623425 /nfs/dbraw/zinc/62/34/25/506623425.db2.gz QRRKFYGHJGPHCZ-QMMMGPOBSA-N 1 2 357.292 3.230 20 5 FGBDLO COCCCOc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000583235675 506665672 /nfs/dbraw/zinc/66/56/72/506665672.db2.gz LDEAKLVYLAVGNV-UHFFFAOYSA-N 1 2 372.421 3.405 20 5 FGBDLO COCCCOc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000583235675 506665679 /nfs/dbraw/zinc/66/56/79/506665679.db2.gz LDEAKLVYLAVGNV-UHFFFAOYSA-N 1 2 372.421 3.405 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000604044245 506696293 /nfs/dbraw/zinc/69/62/93/506696293.db2.gz GWKJMGUTSMCNOB-UHFFFAOYSA-N 1 2 356.426 3.004 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000600111650 506782111 /nfs/dbraw/zinc/78/21/11/506782111.db2.gz DRZADNWZRPFOPB-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234409 506821962 /nfs/dbraw/zinc/82/19/62/506821962.db2.gz ROPUJUYPSVZATE-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234409 506821966 /nfs/dbraw/zinc/82/19/66/506821966.db2.gz ROPUJUYPSVZATE-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583607510 506875056 /nfs/dbraw/zinc/87/50/56/506875056.db2.gz SHKJMRAEWSPJTH-QGZVFWFLSA-N 1 2 371.441 3.161 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590629353 506888765 /nfs/dbraw/zinc/88/87/65/506888765.db2.gz PZWNBOXGIABPEY-GFCCVEGCSA-N 1 2 368.315 3.287 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH+]c12 ZINC000609521896 506908325 /nfs/dbraw/zinc/90/83/25/506908325.db2.gz WUAUBGJDAPFAEY-UHFFFAOYSA-N 1 2 350.334 3.227 20 5 FGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000609536574 506912715 /nfs/dbraw/zinc/91/27/15/506912715.db2.gz UNFQSGBDYKKHAO-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000609536574 506912720 /nfs/dbraw/zinc/91/27/20/506912720.db2.gz UNFQSGBDYKKHAO-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO CC(C)(CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590747590 506935621 /nfs/dbraw/zinc/93/56/21/506935621.db2.gz CZDRXSAHBILIPG-UHFFFAOYSA-N 1 2 356.304 3.241 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590758707 506940547 /nfs/dbraw/zinc/94/05/47/506940547.db2.gz UTAABGOCZCSLLQ-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590758707 506940552 /nfs/dbraw/zinc/94/05/52/506940552.db2.gz UTAABGOCZCSLLQ-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000590759770 506941169 /nfs/dbraw/zinc/94/11/69/506941169.db2.gz LTRLPSIJUUDSKK-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000590759770 506941179 /nfs/dbraw/zinc/94/11/79/506941179.db2.gz LTRLPSIJUUDSKK-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1cccn2cc(C[S@@](=O)CCCOc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000600901625 507171109 /nfs/dbraw/zinc/17/11/09/507171109.db2.gz ASEPAIUEIZOMBA-SANMLTNESA-N 1 2 373.434 3.269 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597942508 507190253 /nfs/dbraw/zinc/19/02/53/507190253.db2.gz ZPQUHRKQIJCHJU-ZWKOTPCHSA-N 1 2 366.421 3.010 20 5 FGBDLO C[C@@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420578 507233189 /nfs/dbraw/zinc/23/31/89/507233189.db2.gz ZLDFJSQSPRFGQV-DYESRHJHSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420578 507233192 /nfs/dbraw/zinc/23/31/92/507233192.db2.gz ZLDFJSQSPRFGQV-DYESRHJHSA-N 1 2 369.465 3.273 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601039007 507239307 /nfs/dbraw/zinc/23/93/07/507239307.db2.gz CEEKFKRGGLWKQL-UHFFFAOYSA-N 1 2 368.437 3.420 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)nc2c1 ZINC000610582785 507303346 /nfs/dbraw/zinc/30/33/46/507303346.db2.gz ZSLYNKLTVUHDHX-QGZVFWFLSA-N 1 2 363.377 3.464 20 5 FGBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)Nc1ccccc1 ZINC000610844527 507409726 /nfs/dbraw/zinc/40/97/26/507409726.db2.gz VXAROIFBBYYKQB-UHFFFAOYSA-N 1 2 354.366 3.243 20 5 FGBDLO Cc1noc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[N+](=O)[O-] ZINC000595295737 507450536 /nfs/dbraw/zinc/45/05/36/507450536.db2.gz QVGVXRHVXXBZLI-SWLSCSKDSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[N+](=O)[O-] ZINC000595295737 507450540 /nfs/dbraw/zinc/45/05/40/507450540.db2.gz QVGVXRHVXXBZLI-SWLSCSKDSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC000595415846 507486428 /nfs/dbraw/zinc/48/64/28/507486428.db2.gz RLOYWEYOWGEFFO-JTQLQIEISA-N 1 2 359.361 3.375 20 5 FGBDLO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422798 507490025 /nfs/dbraw/zinc/49/00/25/507490025.db2.gz ONYYNLUOARQWMR-CQSZACIVSA-N 1 2 374.445 3.437 20 5 FGBDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611243725 507575806 /nfs/dbraw/zinc/57/58/06/507575806.db2.gz PQBDBOJXBGDQAT-UHFFFAOYSA-N 1 2 373.409 3.228 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595618109 507593308 /nfs/dbraw/zinc/59/33/08/507593308.db2.gz LSBFTFSSCVFQPQ-KRWDZBQOSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595618109 507593310 /nfs/dbraw/zinc/59/33/10/507593310.db2.gz LSBFTFSSCVFQPQ-KRWDZBQOSA-N 1 2 372.368 3.206 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595702759 507637604 /nfs/dbraw/zinc/63/76/04/507637604.db2.gz KBASLZIUYXMOIK-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595702759 507637607 /nfs/dbraw/zinc/63/76/07/507637607.db2.gz KBASLZIUYXMOIK-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)c1 ZINC000611462285 507692420 /nfs/dbraw/zinc/69/24/20/507692420.db2.gz WONZCGWHBVXKKS-UHFFFAOYSA-N 1 2 358.467 3.252 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4ccon4)CC3)o2)cc1 ZINC000595831480 507704950 /nfs/dbraw/zinc/70/49/50/507704950.db2.gz COTRTTMSJDWDQM-UHFFFAOYSA-N 1 2 355.354 3.012 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602484967 507722397 /nfs/dbraw/zinc/72/23/97/507722397.db2.gz KZATWPKIYIAPOT-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602484967 507722402 /nfs/dbraw/zinc/72/24/02/507722402.db2.gz KZATWPKIYIAPOT-FVQBIDKESA-N 1 2 374.359 3.382 20 5 FGBDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148905 695597125 /nfs/dbraw/zinc/59/71/25/695597125.db2.gz KWIZQLSJYDHFFE-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148905 695597128 /nfs/dbraw/zinc/59/71/28/695597128.db2.gz KWIZQLSJYDHFFE-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069390518 695949758 /nfs/dbraw/zinc/94/97/58/695949758.db2.gz ADNYTFZGLMHYEP-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512456 700585928 /nfs/dbraw/zinc/58/59/28/700585928.db2.gz KIWUVFDAVRHFIW-DGCLKSJQSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512456 700585930 /nfs/dbraw/zinc/58/59/30/700585930.db2.gz KIWUVFDAVRHFIW-DGCLKSJQSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374029394 713894177 /nfs/dbraw/zinc/89/41/77/713894177.db2.gz XFSXHHBJPQTOFN-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374029394 713894180 /nfs/dbraw/zinc/89/41/80/713894180.db2.gz XFSXHHBJPQTOFN-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO Cc1ccc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804432009 724516591 /nfs/dbraw/zinc/51/65/91/724516591.db2.gz NBSCMRXWRZVPSS-RYUDHWBXSA-N 1 2 372.263 3.187 20 5 FGBDLO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c(Br)n1 ZINC000720634958 722419444 /nfs/dbraw/zinc/41/94/44/722419444.db2.gz PASCZALSMFSBMR-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584572 723260999 /nfs/dbraw/zinc/26/09/99/723260999.db2.gz UDJAVYNMVPLJKI-WPRPVWTQSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584572 723261004 /nfs/dbraw/zinc/26/10/04/723261004.db2.gz UDJAVYNMVPLJKI-WPRPVWTQSA-N 1 2 365.739 3.459 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784412345 724851315 /nfs/dbraw/zinc/85/13/15/724851315.db2.gz SPLGKWUETAHNIP-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784412345 724851317 /nfs/dbraw/zinc/85/13/17/724851317.db2.gz SPLGKWUETAHNIP-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809692154 725259138 /nfs/dbraw/zinc/25/91/38/725259138.db2.gz XZJOZSPKKXPYAS-ZDUSSCGKSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809692154 725259141 /nfs/dbraw/zinc/25/91/41/725259141.db2.gz XZJOZSPKKXPYAS-ZDUSSCGKSA-N 1 2 355.822 3.349 20 5 FGBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017162 725282465 /nfs/dbraw/zinc/28/24/65/725282465.db2.gz NNOSAHOPRYQOKC-BXUZGUMPSA-N 1 2 374.268 3.197 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(C3(O)CC3)CC2)ccc1Br ZINC000844362594 730707550 /nfs/dbraw/zinc/70/75/50/730707550.db2.gz GVFOPEGEAKBESB-UHFFFAOYSA-N 1 2 355.232 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C(F)F)c1 ZINC000865459164 733205497 /nfs/dbraw/zinc/20/54/97/733205497.db2.gz CHQIKWUACCYWPS-MRXNPFEDSA-N 1 2 373.425 3.152 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865804235 733272518 /nfs/dbraw/zinc/27/25/18/733272518.db2.gz UNDBHHUWRCTYHY-UHFFFAOYSA-N 1 2 354.332 3.436 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000872803366 735678662 /nfs/dbraw/zinc/67/86/62/735678662.db2.gz BJEVAWNFWXPKCD-AWEZNQCLSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000872803366 735678663 /nfs/dbraw/zinc/67/86/63/735678663.db2.gz BJEVAWNFWXPKCD-AWEZNQCLSA-N 1 2 355.320 3.085 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2nccs2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880317376 737153572 /nfs/dbraw/zinc/15/35/72/737153572.db2.gz NOWILQRNCAIZFI-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2nccs2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880317376 737153577 /nfs/dbraw/zinc/15/35/77/737153577.db2.gz NOWILQRNCAIZFI-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880547921 737186208 /nfs/dbraw/zinc/18/62/08/737186208.db2.gz XNIGGGAVIRRFSW-UHFFFAOYSA-N 1 2 361.225 3.283 20 5 FGBDLO Cc1[nH]c([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC000895194181 742386491 /nfs/dbraw/zinc/38/64/91/742386491.db2.gz XMJFTGXNGKGWJD-LBPRGKRZSA-N 1 2 366.219 3.434 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC000919680995 758461498 /nfs/dbraw/zinc/46/14/98/758461498.db2.gz FNUKOGTXUMXSBG-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO CC(C)[N@@H+](Cc1cccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919953798 758493712 /nfs/dbraw/zinc/49/37/12/758493712.db2.gz BFLREDRBVJHFKH-UHFFFAOYSA-N 1 2 359.249 3.483 20 5 FGBDLO CC(C)[N@H+](Cc1cccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919953798 758493716 /nfs/dbraw/zinc/49/37/16/758493716.db2.gz BFLREDRBVJHFKH-UHFFFAOYSA-N 1 2 359.249 3.483 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000933256478 761347211 /nfs/dbraw/zinc/34/72/11/761347211.db2.gz MGCDUSVKWBHPHZ-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000057584478 132303746 /nfs/dbraw/zinc/30/37/46/132303746.db2.gz UDRQHHSYVVJHJI-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccon1 ZINC000570859154 505596624 /nfs/dbraw/zinc/59/66/24/505596624.db2.gz YYGZQLXHESMKCF-MRVPVSSYSA-N 1 2 373.150 3.038 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CCO2 ZINC000573854783 505635793 /nfs/dbraw/zinc/63/57/93/505635793.db2.gz VNRBNCRGGMMUBL-UHFFFAOYSA-N 1 2 356.407 3.441 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccsc1)CCO2 ZINC000573854783 505635795 /nfs/dbraw/zinc/63/57/95/505635795.db2.gz VNRBNCRGGMMUBL-UHFFFAOYSA-N 1 2 356.407 3.441 20 5 FGBDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048023014 493775187 /nfs/dbraw/zinc/77/51/87/493775187.db2.gz CQKNZEWVXSPZDI-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000075954674 493800199 /nfs/dbraw/zinc/80/01/99/493800199.db2.gz BZDCYOBJOHMJFR-UHFFFAOYSA-N 1 2 353.382 3.383 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000081099833 493833176 /nfs/dbraw/zinc/83/31/76/493833176.db2.gz VMQJIRIQEMTNMS-UHFFFAOYSA-N 1 2 350.378 3.112 20 5 FGBDLO Cc1sc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000031900726 493965456 /nfs/dbraw/zinc/96/54/56/493965456.db2.gz WIVSUVKPIUKUFM-HNNXBMFYSA-N 1 2 374.397 3.357 20 5 FGBDLO Cc1cccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451854 493970754 /nfs/dbraw/zinc/97/07/54/493970754.db2.gz HVXGJNVJWDEOCA-KRWDZBQOSA-N 1 2 353.378 3.207 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccncc1 ZINC000032141362 493976442 /nfs/dbraw/zinc/97/64/42/493976442.db2.gz BWSANUAKZVIMMU-INIZCTEOSA-N 1 2 363.377 3.153 20 5 FGBDLO COc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032488412 493992712 /nfs/dbraw/zinc/99/27/12/493992712.db2.gz MFQYWVUIMOOYTF-UHFFFAOYSA-N 1 2 366.377 3.061 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000076991403 494004365 /nfs/dbraw/zinc/00/43/65/494004365.db2.gz VHLAUQNZMDAXDN-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO Cc1ccccc1N1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000007619400 494031168 /nfs/dbraw/zinc/03/11/68/494031168.db2.gz JNRZNTHBOXGVDL-UHFFFAOYSA-N 1 2 369.421 3.092 20 5 FGBDLO Cc1cc(NCCCOC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077229466 494037367 /nfs/dbraw/zinc/03/73/67/494037367.db2.gz NVTIXJLSQCUVOF-OAHLLOKOSA-N 1 2 372.425 3.215 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000052751106 494059505 /nfs/dbraw/zinc/05/95/05/494059505.db2.gz TXRKOEUENFVFDL-MRXNPFEDSA-N 1 2 353.422 3.422 20 5 FGBDLO CCOC(=O)c1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000010895886 494164499 /nfs/dbraw/zinc/16/44/99/494164499.db2.gz JXTNGJIYMKENLR-UHFFFAOYSA-N 1 2 368.349 3.209 20 5 FGBDLO CCOC(=O)c1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000010895886 494164502 /nfs/dbraw/zinc/16/45/02/494164502.db2.gz JXTNGJIYMKENLR-UHFFFAOYSA-N 1 2 368.349 3.209 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000065424801 494195182 /nfs/dbraw/zinc/19/51/82/494195182.db2.gz AFLYKDRIPWRLFV-SNVBAGLBSA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000065424801 494195186 /nfs/dbraw/zinc/19/51/86/494195186.db2.gz AFLYKDRIPWRLFV-SNVBAGLBSA-N 1 2 360.357 3.204 20 5 FGBDLO C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054166017 494201540 /nfs/dbraw/zinc/20/15/40/494201540.db2.gz WMYUKMNNGBPTBD-ZDUSSCGKSA-N 1 2 368.368 3.281 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043149361 494271107 /nfs/dbraw/zinc/27/11/07/494271107.db2.gz RRDWTXXPMBFJBL-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000045101168 494398004 /nfs/dbraw/zinc/39/80/04/494398004.db2.gz WXKDJNMUKNBXJX-UHFFFAOYSA-N 1 2 367.409 3.095 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000045782858 494460666 /nfs/dbraw/zinc/46/06/66/494460666.db2.gz XTRGKISYKFTMHO-UHFFFAOYSA-N 1 2 368.397 3.293 20 5 FGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000046342254 494517185 /nfs/dbraw/zinc/51/71/85/494517185.db2.gz WQTPRJPISHMNCT-STQMWFEESA-N 1 2 359.382 3.049 20 5 FGBDLO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046598913 494539813 /nfs/dbraw/zinc/53/98/13/494539813.db2.gz BHPMVULYXNIINS-UHFFFAOYSA-N 1 2 371.437 3.084 20 5 FGBDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046598913 494539819 /nfs/dbraw/zinc/53/98/19/494539819.db2.gz BHPMVULYXNIINS-UHFFFAOYSA-N 1 2 371.437 3.084 20 5 FGBDLO COc1cccc([C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000074727524 494583904 /nfs/dbraw/zinc/58/39/04/494583904.db2.gz VPPTZEZKMLDOCM-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO Cc1ccn2cc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000080097563 494591744 /nfs/dbraw/zinc/59/17/44/494591744.db2.gz FDMAHNWLFAPFAT-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121186155 494636967 /nfs/dbraw/zinc/63/69/67/494636967.db2.gz FALJHVZHSJLCFI-CZUORRHYSA-N 1 2 373.434 3.150 20 5 FGBDLO CCc1nc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000092504792 494648214 /nfs/dbraw/zinc/64/82/14/494648214.db2.gz CISNCBPBCHSJDS-UHFFFAOYSA-N 1 2 360.483 3.240 20 5 FGBDLO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126289875 494699019 /nfs/dbraw/zinc/69/90/19/494699019.db2.gz JMTOOAZMPYJSAU-MLGOLLRUSA-N 1 2 362.817 3.097 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000047417795 494703323 /nfs/dbraw/zinc/70/33/23/494703323.db2.gz CMNSJSCAFLHOKB-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121338242 494709562 /nfs/dbraw/zinc/70/95/62/494709562.db2.gz KTQNBSITQPLXGC-CYBMUJFWSA-N 1 2 359.407 3.005 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000092063541 494774495 /nfs/dbraw/zinc/77/44/95/494774495.db2.gz IAZHQZXYZRTDEV-UHFFFAOYSA-N 1 2 350.802 3.338 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000092063541 494774503 /nfs/dbraw/zinc/77/45/03/494774503.db2.gz IAZHQZXYZRTDEV-UHFFFAOYSA-N 1 2 350.802 3.338 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Cl)s1 ZINC000027359803 494864362 /nfs/dbraw/zinc/86/43/62/494864362.db2.gz KCGKTUDKGSQOBO-UHFFFAOYSA-N 1 2 365.842 3.331 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Cl)s1 ZINC000027359803 494864366 /nfs/dbraw/zinc/86/43/66/494864366.db2.gz KCGKTUDKGSQOBO-UHFFFAOYSA-N 1 2 365.842 3.331 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000027383167 494866174 /nfs/dbraw/zinc/86/61/74/494866174.db2.gz OSUYJVNNFMRJRY-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000093528212 494897639 /nfs/dbraw/zinc/89/76/39/494897639.db2.gz YATTXUUBSLIRNF-CQSZACIVSA-N 1 2 366.801 3.355 20 5 FGBDLO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000093528212 494897642 /nfs/dbraw/zinc/89/76/42/494897642.db2.gz YATTXUUBSLIRNF-CQSZACIVSA-N 1 2 366.801 3.355 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000127625050 494971530 /nfs/dbraw/zinc/97/15/30/494971530.db2.gz IEULTTHKGJXOFR-UHFFFAOYSA-N 1 2 365.792 3.482 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000127625050 494971533 /nfs/dbraw/zinc/97/15/33/494971533.db2.gz IEULTTHKGJXOFR-UHFFFAOYSA-N 1 2 365.792 3.482 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)oc1C ZINC000110535808 494986836 /nfs/dbraw/zinc/98/68/36/494986836.db2.gz MTMRIPAYCQHMAQ-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000574365245 505755623 /nfs/dbraw/zinc/75/56/23/505755623.db2.gz YNPKGMXCOXRRIJ-RDJZCZTQSA-N 1 2 374.441 3.496 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000574365245 505755626 /nfs/dbraw/zinc/75/56/26/505755626.db2.gz YNPKGMXCOXRRIJ-RDJZCZTQSA-N 1 2 374.441 3.496 20 5 FGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC000122824887 495036673 /nfs/dbraw/zinc/03/66/73/495036673.db2.gz UNPKLOCRQBVZBS-QWRGUYRKSA-N 1 2 370.247 3.274 20 5 FGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC000122824887 495036676 /nfs/dbraw/zinc/03/66/76/495036676.db2.gz UNPKLOCRQBVZBS-QWRGUYRKSA-N 1 2 370.247 3.274 20 5 FGBDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000119305176 495138336 /nfs/dbraw/zinc/13/83/36/495138336.db2.gz BKZJWUQSSKXQNV-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc2n1C ZINC000568807048 505781523 /nfs/dbraw/zinc/78/15/23/505781523.db2.gz BTJYEKWPVKEUOJ-UHFFFAOYSA-N 1 2 360.320 3.249 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130873287 495459835 /nfs/dbraw/zinc/45/98/35/495459835.db2.gz XGNCQLUGEWPRRU-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130873287 495459838 /nfs/dbraw/zinc/45/98/38/495459838.db2.gz XGNCQLUGEWPRRU-UHFFFAOYSA-N 1 2 359.451 3.246 20 5 FGBDLO CCc1cc(NCCOC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000115519148 495512710 /nfs/dbraw/zinc/51/27/10/495512710.db2.gz ZHWFQKHFOFUOFA-KRWDZBQOSA-N 1 2 372.425 3.222 20 5 FGBDLO COc1cc(F)ccc1N1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000115551133 495515566 /nfs/dbraw/zinc/51/55/66/495515566.db2.gz KSNQZCSWXXASPL-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000159038485 495642924 /nfs/dbraw/zinc/64/29/24/495642924.db2.gz ZIIPTVFOTHWFCW-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000159038485 495642931 /nfs/dbraw/zinc/64/29/31/495642931.db2.gz ZIIPTVFOTHWFCW-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179590086 495652454 /nfs/dbraw/zinc/65/24/54/495652454.db2.gz LHLJLRJZCIFVBE-UHFFFAOYSA-N 1 2 363.421 3.307 20 5 FGBDLO Cc1cc(F)ccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176449094 495654357 /nfs/dbraw/zinc/65/43/57/495654357.db2.gz PSFGHRJTWJOMDN-UHFFFAOYSA-N 1 2 368.368 3.201 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CCCO)c3ccccc3)o2)cc1 ZINC000179730864 495709136 /nfs/dbraw/zinc/70/91/36/495709136.db2.gz DBLHQCSLQWMDMZ-QGZVFWFLSA-N 1 2 368.393 3.248 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000173857575 495722504 /nfs/dbraw/zinc/72/25/04/495722504.db2.gz XFMYZRCATJUASV-UHFFFAOYSA-N 1 2 373.478 3.106 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000183203938 495879561 /nfs/dbraw/zinc/87/95/61/495879561.db2.gz OIBYMKRHYDCNBH-NAVKMHBDSA-N 1 2 354.410 3.304 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175145208 496265962 /nfs/dbraw/zinc/26/59/62/496265962.db2.gz BBQRYDZNMOKMAZ-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175145208 496265964 /nfs/dbraw/zinc/26/59/64/496265964.db2.gz BBQRYDZNMOKMAZ-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H](c1ccccc1)C1CC1 ZINC000153307450 496415745 /nfs/dbraw/zinc/41/57/45/496415745.db2.gz GPTCGJRPYHTAAR-NRFANRHFSA-N 1 2 365.433 3.220 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H](c1ccccc1)C1CC1 ZINC000153307450 496415748 /nfs/dbraw/zinc/41/57/48/496415748.db2.gz GPTCGJRPYHTAAR-NRFANRHFSA-N 1 2 365.433 3.220 20 5 FGBDLO O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178511830 496481512 /nfs/dbraw/zinc/48/15/12/496481512.db2.gz RCSNMQQWKOJUOE-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184719868 496506874 /nfs/dbraw/zinc/50/68/74/496506874.db2.gz FYDDEMNRVBXOHC-ZFWWWQNUSA-N 1 2 361.398 3.109 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000184768707 496524319 /nfs/dbraw/zinc/52/43/19/496524319.db2.gz SJIWRXGAXCEUSB-INIZCTEOSA-N 1 2 366.421 3.436 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4cccc(F)c4)CC3)nc2c1 ZINC000178772701 496565154 /nfs/dbraw/zinc/56/51/54/496565154.db2.gz GBNYJDXLZZUFPT-UHFFFAOYSA-N 1 2 370.384 3.193 20 5 FGBDLO CC(C)c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000182053444 496650381 /nfs/dbraw/zinc/65/03/81/496650381.db2.gz JLSSFZAJISCWTM-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000182053444 496650385 /nfs/dbraw/zinc/65/03/85/496650385.db2.gz JLSSFZAJISCWTM-UHFFFAOYSA-N 1 2 354.454 3.431 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185116544 496667023 /nfs/dbraw/zinc/66/70/23/496667023.db2.gz YZEVNXOYROYPKJ-OAHLLOKOSA-N 1 2 361.442 3.029 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154064996 496672333 /nfs/dbraw/zinc/67/23/33/496672333.db2.gz YJBQNKAJFNQORO-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154064996 496672336 /nfs/dbraw/zinc/67/23/36/496672336.db2.gz YJBQNKAJFNQORO-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182111716 496674423 /nfs/dbraw/zinc/67/44/23/496674423.db2.gz OWRUWBNVSRCOLO-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182111716 496674426 /nfs/dbraw/zinc/67/44/26/496674426.db2.gz OWRUWBNVSRCOLO-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO CSc1cccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000188151270 496702106 /nfs/dbraw/zinc/70/21/06/496702106.db2.gz IGWCBMIGBIZIRY-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182212827 496709657 /nfs/dbraw/zinc/70/96/57/496709657.db2.gz UHGKOJIXYQOHHO-OAHLLOKOSA-N 1 2 362.451 3.370 20 5 FGBDLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182212827 496709660 /nfs/dbraw/zinc/70/96/60/496709660.db2.gz UHGKOJIXYQOHHO-OAHLLOKOSA-N 1 2 362.451 3.370 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000191347561 496733246 /nfs/dbraw/zinc/73/32/46/496733246.db2.gz DCMOVKMXKJTIFA-CQSZACIVSA-N 1 2 355.398 3.007 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@]1=O ZINC000277373456 496752113 /nfs/dbraw/zinc/75/21/13/496752113.db2.gz XSHKZCQZZGEUBO-SXBQZSJRSA-N 1 2 355.459 3.289 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@]1=O ZINC000277373456 496752116 /nfs/dbraw/zinc/75/21/16/496752116.db2.gz XSHKZCQZZGEUBO-SXBQZSJRSA-N 1 2 355.459 3.289 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000264270743 496857689 /nfs/dbraw/zinc/85/76/89/496857689.db2.gz LWMWOUXEWXNPRV-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000264270743 496857693 /nfs/dbraw/zinc/85/76/93/496857693.db2.gz LWMWOUXEWXNPRV-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000227693166 497090628 /nfs/dbraw/zinc/09/06/28/497090628.db2.gz SNGWHODOTGFVDD-APWZRJJASA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000227693166 497090633 /nfs/dbraw/zinc/09/06/33/497090633.db2.gz SNGWHODOTGFVDD-APWZRJJASA-N 1 2 369.421 3.040 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248805571 497107273 /nfs/dbraw/zinc/10/72/73/497107273.db2.gz ZVXLTIVBNBRQGF-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248805571 497107274 /nfs/dbraw/zinc/10/72/74/497107274.db2.gz ZVXLTIVBNBRQGF-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000574948671 505888987 /nfs/dbraw/zinc/88/89/87/505888987.db2.gz MMXDENAHNQCWAX-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000574948671 505888992 /nfs/dbraw/zinc/88/89/92/505888992.db2.gz MMXDENAHNQCWAX-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO COc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000190671908 497565960 /nfs/dbraw/zinc/56/59/60/497565960.db2.gz KBBZYUPAYPDLOG-CQSZACIVSA-N 1 2 371.393 3.010 20 5 FGBDLO COc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000272858593 497746321 /nfs/dbraw/zinc/74/63/21/497746321.db2.gz RPJLNIHDDWIDPR-UHFFFAOYSA-N 1 2 374.397 3.288 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2[nH+]1 ZINC000194748032 497758424 /nfs/dbraw/zinc/75/84/24/497758424.db2.gz SERJZRVOALIBGX-UHFFFAOYSA-N 1 2 369.356 3.183 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3c[nH+]cc(C)c3)n2)c1 ZINC000292016133 497840446 /nfs/dbraw/zinc/84/04/46/497840446.db2.gz ZFCOXGRABJACOY-UHFFFAOYSA-N 1 2 354.366 3.066 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296045640 497901977 /nfs/dbraw/zinc/90/19/77/497901977.db2.gz YVDJHLYNDUQNAK-ZDUSSCGKSA-N 1 2 364.352 3.030 20 5 FGBDLO O=C(C[NH+]1CCC2(CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284818696 497910829 /nfs/dbraw/zinc/91/08/29/497910829.db2.gz QVVFYQCBBBIOEA-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccsc1 ZINC000280833280 497916782 /nfs/dbraw/zinc/91/67/82/497916782.db2.gz TWFNXIHQCIXOPP-AWEZNQCLSA-N 1 2 363.439 3.175 20 5 FGBDLO C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000296285239 497985610 /nfs/dbraw/zinc/98/56/10/497985610.db2.gz JGBOMFXQMDSORB-IUODEOHRSA-N 1 2 357.414 3.182 20 5 FGBDLO CCN(C(C)=O)c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285249961 498033685 /nfs/dbraw/zinc/03/36/85/498033685.db2.gz HCVPAAGYMMVGNE-UHFFFAOYSA-N 1 2 362.455 3.099 20 5 FGBDLO CCN(C(C)=O)c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285249961 498033681 /nfs/dbraw/zinc/03/36/81/498033681.db2.gz HCVPAAGYMMVGNE-UHFFFAOYSA-N 1 2 362.455 3.099 20 5 FGBDLO COc1cc(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301335966 498062378 /nfs/dbraw/zinc/06/23/78/498062378.db2.gz CYCROGDRNLRZEM-LJQANCHMSA-N 1 2 371.437 3.397 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364466 498063205 /nfs/dbraw/zinc/06/32/05/498063205.db2.gz QTSWGUWVONNNTN-AMIZOPFISA-N 1 2 354.275 3.008 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000285364466 498063212 /nfs/dbraw/zinc/06/32/12/498063212.db2.gz QTSWGUWVONNNTN-AMIZOPFISA-N 1 2 354.275 3.008 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289377461 498126189 /nfs/dbraw/zinc/12/61/89/498126189.db2.gz PSAFDPWMHHCHNF-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289377464 498126251 /nfs/dbraw/zinc/12/62/51/498126251.db2.gz PSAFDPWMHHCHNF-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO COc1cc(C[NH2+]Cc2occc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000292771828 498141495 /nfs/dbraw/zinc/14/14/95/498141495.db2.gz KMBKQJNTBBQUEA-UHFFFAOYSA-N 1 2 356.325 3.439 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330610364 498159739 /nfs/dbraw/zinc/15/97/39/498159739.db2.gz NJVRKLPDMPDGOS-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330610364 498159740 /nfs/dbraw/zinc/15/97/40/498159740.db2.gz NJVRKLPDMPDGOS-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301622794 498192979 /nfs/dbraw/zinc/19/29/79/498192979.db2.gz FCAWPVHRNZJJHW-CYBMUJFWSA-N 1 2 364.199 3.410 20 5 FGBDLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000296780844 498193722 /nfs/dbraw/zinc/19/37/22/498193722.db2.gz KEWKYLLBRNNEQJ-AWEZNQCLSA-N 1 2 357.414 3.242 20 5 FGBDLO CCOC(=O)c1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000301645031 498203520 /nfs/dbraw/zinc/20/35/20/498203520.db2.gz OXRQXBFQQMDJTJ-DYVFJYSZSA-N 1 2 358.398 3.056 20 5 FGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@H]1CCCO1 ZINC000289727244 498267912 /nfs/dbraw/zinc/26/79/12/498267912.db2.gz JVVUEHYCXQXUBK-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@H]1CCCO1 ZINC000289727244 498267917 /nfs/dbraw/zinc/26/79/17/498267917.db2.gz JVVUEHYCXQXUBK-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365465924 498481644 /nfs/dbraw/zinc/48/16/44/498481644.db2.gz XOHYEAOULWHTHR-WCRPCQDQSA-N 1 2 354.410 3.138 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)cc1F ZINC000302513014 498497681 /nfs/dbraw/zinc/49/76/81/498497681.db2.gz UDINTECUQKDVKA-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000282584013 498569687 /nfs/dbraw/zinc/56/96/87/498569687.db2.gz GHWQIGMVCPVQNC-UHFFFAOYSA-N 1 2 355.398 3.491 20 5 FGBDLO CCn1c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccccc21 ZINC000576069088 506068686 /nfs/dbraw/zinc/06/86/86/506068686.db2.gz XHATVVZJTBKXIS-UHFFFAOYSA-N 1 2 350.382 3.131 20 5 FGBDLO Cn1c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000282808319 498661901 /nfs/dbraw/zinc/66/19/01/498661901.db2.gz BBZDFVQLCLYDEB-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000363183019 498691336 /nfs/dbraw/zinc/69/13/36/498691336.db2.gz LUCCERFGNQPVFT-UHFFFAOYSA-N 1 2 369.425 3.431 20 5 FGBDLO C[C@@]12CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]1C2(F)F ZINC000298213713 498695945 /nfs/dbraw/zinc/69/59/45/498695945.db2.gz DVIKTTNNZMLCHN-SWLSCSKDSA-N 1 2 350.325 3.122 20 5 FGBDLO C[C@@]12CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]1C2(F)F ZINC000298213713 498695951 /nfs/dbraw/zinc/69/59/51/498695951.db2.gz DVIKTTNNZMLCHN-SWLSCSKDSA-N 1 2 350.325 3.122 20 5 FGBDLO CC(=O)c1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000287412360 498746930 /nfs/dbraw/zinc/74/69/30/498746930.db2.gz SXIDYNAFZJWZRJ-CQSZACIVSA-N 1 2 354.410 3.076 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000572920953 506083590 /nfs/dbraw/zinc/08/35/90/506083590.db2.gz UXHNRWPLQMPIJO-OAHLLOKOSA-N 1 2 364.405 3.260 20 5 FGBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000294775979 498801469 /nfs/dbraw/zinc/80/14/69/498801469.db2.gz RKOHILMBSFAQRE-MRXNPFEDSA-N 1 2 366.381 3.075 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)cs2)c1 ZINC000291231915 498854862 /nfs/dbraw/zinc/85/48/62/498854862.db2.gz KMIRPRCKGDTEPJ-LBPRGKRZSA-N 1 2 369.393 3.168 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)cs2)c1 ZINC000291231915 498854866 /nfs/dbraw/zinc/85/48/66/498854866.db2.gz KMIRPRCKGDTEPJ-LBPRGKRZSA-N 1 2 369.393 3.168 20 5 FGBDLO O=C(c1cc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298765940 498872120 /nfs/dbraw/zinc/87/21/20/498872120.db2.gz FWQODWOSUGEOJZ-UHFFFAOYSA-N 1 2 365.393 3.091 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC000366496239 498953587 /nfs/dbraw/zinc/95/35/87/498953587.db2.gz VWTXQDROEFKLEG-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC000366496239 498953596 /nfs/dbraw/zinc/95/35/96/498953596.db2.gz VWTXQDROEFKLEG-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295604090 499061255 /nfs/dbraw/zinc/06/12/55/499061255.db2.gz XNYHCVUQVUFVRG-AAEUAGOBSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295604090 499061261 /nfs/dbraw/zinc/06/12/61/499061261.db2.gz XNYHCVUQVUFVRG-AAEUAGOBSA-N 1 2 369.849 3.058 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372941859 499443867 /nfs/dbraw/zinc/44/38/67/499443867.db2.gz GBUFPMQRQUTYGU-UHFFFAOYSA-N 1 2 357.414 3.408 20 5 FGBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])c1 ZINC000372985367 499445939 /nfs/dbraw/zinc/44/59/39/499445939.db2.gz TWLPYAFAHXMGIU-UHFFFAOYSA-N 1 2 368.397 3.406 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373784772 499487861 /nfs/dbraw/zinc/48/78/61/499487861.db2.gz ADPJUGMQFYKNRN-UHFFFAOYSA-N 1 2 363.805 3.445 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375338918 499508352 /nfs/dbraw/zinc/50/83/52/499508352.db2.gz UOANEHDXMIOYEC-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000391848567 499557546 /nfs/dbraw/zinc/55/75/46/499557546.db2.gz YGGJBNZPHHFFGA-SSDOTTSWSA-N 1 2 357.233 3.368 20 5 FGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375815471 499558128 /nfs/dbraw/zinc/55/81/28/499558128.db2.gz PHKBIFRFWPYUSA-IBGZPJMESA-N 1 2 372.428 3.242 20 5 FGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375815472 499558296 /nfs/dbraw/zinc/55/82/96/499558296.db2.gz PHKBIFRFWPYUSA-LJQANCHMSA-N 1 2 372.428 3.242 20 5 FGBDLO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398064619 499566046 /nfs/dbraw/zinc/56/60/46/499566046.db2.gz HIXKXYUHXNTVOY-QGZVFWFLSA-N 1 2 371.437 3.187 20 5 FGBDLO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398064619 499566048 /nfs/dbraw/zinc/56/60/48/499566048.db2.gz HIXKXYUHXNTVOY-QGZVFWFLSA-N 1 2 371.437 3.187 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079965 499757706 /nfs/dbraw/zinc/75/77/06/499757706.db2.gz SEPDPKWDSHTVHD-LBPRGKRZSA-N 1 2 360.439 3.205 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079965 499757707 /nfs/dbraw/zinc/75/77/07/499757707.db2.gz SEPDPKWDSHTVHD-LBPRGKRZSA-N 1 2 360.439 3.205 20 5 FGBDLO O=C1C[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)Oc2ccccc21 ZINC000411980145 499809046 /nfs/dbraw/zinc/80/90/46/499809046.db2.gz ITGZTDYBYRZMCX-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)Oc2ccccc21 ZINC000411980145 499809047 /nfs/dbraw/zinc/80/90/47/499809047.db2.gz ITGZTDYBYRZMCX-IBGZPJMESA-N 1 2 356.353 3.344 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000412378590 499850093 /nfs/dbraw/zinc/85/00/93/499850093.db2.gz URTDFMJIDKNIAG-MRXNPFEDSA-N 1 2 372.425 3.339 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000413263491 499933895 /nfs/dbraw/zinc/93/38/95/499933895.db2.gz LISISEWQVLRNMY-SMDDNHRTSA-N 1 2 355.316 3.283 20 5 FGBDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000582257395 506170699 /nfs/dbraw/zinc/17/06/99/506170699.db2.gz XKMGNYVNRISRMD-MRXNPFEDSA-N 1 2 373.384 3.189 20 5 FGBDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000582257395 506170703 /nfs/dbraw/zinc/17/07/03/506170703.db2.gz XKMGNYVNRISRMD-MRXNPFEDSA-N 1 2 373.384 3.189 20 5 FGBDLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421573585 500084919 /nfs/dbraw/zinc/08/49/19/500084919.db2.gz BNILJRKYSZIPQJ-GFCCVEGCSA-N 1 2 363.801 3.344 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000425445708 500108460 /nfs/dbraw/zinc/10/84/60/500108460.db2.gz NCPZPSDISRYUDX-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000425445708 500108464 /nfs/dbraw/zinc/10/84/64/500108464.db2.gz NCPZPSDISRYUDX-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO COCC[N@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247156 500214642 /nfs/dbraw/zinc/21/46/42/500214642.db2.gz YNDVHNOKRPDHML-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO COCC[N@@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247156 500214644 /nfs/dbraw/zinc/21/46/44/500214644.db2.gz YNDVHNOKRPDHML-UHFFFAOYSA-N 1 2 351.428 3.017 20 5 FGBDLO Cc1cc(OCC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1[N+](=O)[O-] ZINC000430392184 500234326 /nfs/dbraw/zinc/23/43/26/500234326.db2.gz IKNAKLHNJBRXJO-UHFFFAOYSA-N 1 2 366.377 3.321 20 5 FGBDLO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccnn1C ZINC000426502358 500280654 /nfs/dbraw/zinc/28/06/54/500280654.db2.gz AKIUNJUYZSFMJG-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccnn1C ZINC000426502358 500280657 /nfs/dbraw/zinc/28/06/57/500280657.db2.gz AKIUNJUYZSFMJG-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000573428770 506192538 /nfs/dbraw/zinc/19/25/38/506192538.db2.gz UGFXXZOSEKXVFF-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000573428770 506192543 /nfs/dbraw/zinc/19/25/43/506192543.db2.gz UGFXXZOSEKXVFF-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO COCCC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCC1 ZINC000420515194 500471526 /nfs/dbraw/zinc/47/15/26/500471526.db2.gz RAYITMJVGQEENT-UHFFFAOYSA-N 1 2 369.381 3.289 20 5 FGBDLO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1Oc1cc[nH+]cc1 ZINC000428195045 500480141 /nfs/dbraw/zinc/48/01/41/500480141.db2.gz MWGHUOLFOWXAFZ-UHFFFAOYSA-N 1 2 366.333 3.443 20 5 FGBDLO Cc1ccc(NCCCNC(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420841695 500513463 /nfs/dbraw/zinc/51/34/63/500513463.db2.gz CPXAUVZTLPZOKQ-UHFFFAOYSA-N 1 2 371.441 3.216 20 5 FGBDLO Cc1cc(N2CCCC[C@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447811617 500667385 /nfs/dbraw/zinc/66/73/85/500667385.db2.gz OFOABABUNMVTMC-PBHICJAKSA-N 1 2 356.426 3.490 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cc(F)cc(F)c1 ZINC000447815388 500668462 /nfs/dbraw/zinc/66/84/62/500668462.db2.gz FQUYSROWXFWXPY-UHFFFAOYSA-N 1 2 363.364 3.317 20 5 FGBDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000443073732 500675054 /nfs/dbraw/zinc/67/50/54/500675054.db2.gz WOSJJDHXXUONEN-UHFFFAOYSA-N 1 2 355.442 3.139 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C ZINC000433771429 500741948 /nfs/dbraw/zinc/74/19/48/500741948.db2.gz PWEGYDIZFCYWLT-UHFFFAOYSA-N 1 2 369.381 3.302 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434279312 500820835 /nfs/dbraw/zinc/82/08/35/500820835.db2.gz IBDZWKDHBYOVGQ-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434279312 500820839 /nfs/dbraw/zinc/82/08/39/500820839.db2.gz IBDZWKDHBYOVGQ-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO CCn1nccc1CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439131512 500861216 /nfs/dbraw/zinc/86/12/16/500861216.db2.gz MNHVTRULSSSPLE-UHFFFAOYSA-N 1 2 352.398 3.213 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449496839 501017813 /nfs/dbraw/zinc/01/78/13/501017813.db2.gz HSAPMIHCZSDFHB-KRWDZBQOSA-N 1 2 374.462 3.378 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449496839 501017816 /nfs/dbraw/zinc/01/78/16/501017816.db2.gz HSAPMIHCZSDFHB-KRWDZBQOSA-N 1 2 374.462 3.378 20 5 FGBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000440638913 501032679 /nfs/dbraw/zinc/03/26/79/501032679.db2.gz OUUUZMQZSGTMNZ-QGZVFWFLSA-N 1 2 369.849 3.148 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067268 501067887 /nfs/dbraw/zinc/06/78/87/501067887.db2.gz AMBHMOXBVWEHLU-AXFHLTTASA-N 1 2 360.357 3.203 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067268 501067891 /nfs/dbraw/zinc/06/78/91/501067891.db2.gz AMBHMOXBVWEHLU-AXFHLTTASA-N 1 2 360.357 3.203 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000441074903 501084015 /nfs/dbraw/zinc/08/40/15/501084015.db2.gz ZJISSKCXPXKUSC-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000441074903 501084017 /nfs/dbraw/zinc/08/40/17/501084017.db2.gz ZJISSKCXPXKUSC-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000446179234 501086159 /nfs/dbraw/zinc/08/61/59/501086159.db2.gz IQEJFIJVERZHCP-XHDPSFHLSA-N 1 2 362.817 3.476 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000441116939 501090777 /nfs/dbraw/zinc/09/07/77/501090777.db2.gz CRCXBXMZFZRCNN-GOSISDBHSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000441116939 501090780 /nfs/dbraw/zinc/09/07/80/501090780.db2.gz CRCXBXMZFZRCNN-GOSISDBHSA-N 1 2 370.405 3.266 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450373477 501103799 /nfs/dbraw/zinc/10/37/99/501103799.db2.gz AEJKHULDRDSCOK-SCLBCKFNSA-N 1 2 367.409 3.436 20 5 FGBDLO COc1cccc2c1cc[nH+]c2N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450411988 501115214 /nfs/dbraw/zinc/11/52/14/501115214.db2.gz YRJFHFMPZVTHMK-ZDUSSCGKSA-N 1 2 365.393 3.237 20 5 FGBDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596065259 506238523 /nfs/dbraw/zinc/23/85/23/506238523.db2.gz OSXGMFFLDVPWFM-HNNXBMFYSA-N 1 2 366.364 3.025 20 5 FGBDLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450803491 501211169 /nfs/dbraw/zinc/21/11/69/501211169.db2.gz AVPOCRINJBXZRA-JFIYKMOQSA-N 1 2 368.437 3.348 20 5 FGBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000450311007 501230852 /nfs/dbraw/zinc/23/08/52/501230852.db2.gz XZSXKEYSWOZTLA-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000450311007 501230854 /nfs/dbraw/zinc/23/08/54/501230854.db2.gz XZSXKEYSWOZTLA-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451002315 501238235 /nfs/dbraw/zinc/23/82/35/501238235.db2.gz BWGLKWJCCVYXGY-LBPRGKRZSA-N 1 2 370.331 3.487 20 5 FGBDLO COc1cc(-c2nc(CCc3[nH+]cccc3C)no2)cc([N+](=O)[O-])c1OC ZINC000453216390 501293094 /nfs/dbraw/zinc/29/30/94/501293094.db2.gz DSDGLCZJWICNJY-UHFFFAOYSA-N 1 2 370.365 3.151 20 5 FGBDLO Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])c(Br)c(C)[nH+]1 ZINC000596078986 506245491 /nfs/dbraw/zinc/24/54/91/506245491.db2.gz YSAZIYUZMFESKR-UHFFFAOYSA-N 1 2 351.204 3.401 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451568135 501326703 /nfs/dbraw/zinc/32/67/03/501326703.db2.gz NOOICCLOYUUXPR-QGZVFWFLSA-N 1 2 374.462 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451568135 501326704 /nfs/dbraw/zinc/32/67/04/501326704.db2.gz NOOICCLOYUUXPR-QGZVFWFLSA-N 1 2 374.462 3.248 20 5 FGBDLO CC1(C)Cc2cccc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)c2O1 ZINC000453570541 501350581 /nfs/dbraw/zinc/35/05/81/501350581.db2.gz AQIQFSKTRSNLBO-UHFFFAOYSA-N 1 2 368.437 3.026 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000452186221 501456506 /nfs/dbraw/zinc/45/65/06/501456506.db2.gz WRGOTORJAQSVPW-JSGCOSHPSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000452186221 501456509 /nfs/dbraw/zinc/45/65/09/501456509.db2.gz WRGOTORJAQSVPW-JSGCOSHPSA-N 1 2 356.426 3.424 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452330389 501479187 /nfs/dbraw/zinc/47/91/87/501479187.db2.gz AQMBAIHABSMNOK-UHFFFAOYSA-N 1 2 365.187 3.142 20 5 FGBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000452570181 501524706 /nfs/dbraw/zinc/52/47/06/501524706.db2.gz JLEBEOQJSKWXTF-UHFFFAOYSA-N 1 2 362.455 3.489 20 5 FGBDLO C[C@@]12CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587663 501527956 /nfs/dbraw/zinc/52/79/56/501527956.db2.gz AVQRQYKWNMEWSA-XXLXZOJFSA-N 1 2 364.405 3.065 20 5 FGBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452893031 501581457 /nfs/dbraw/zinc/58/14/57/501581457.db2.gz WRTVTJZAMPANIH-INIZCTEOSA-N 1 2 364.405 3.191 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000456712199 501584169 /nfs/dbraw/zinc/58/41/69/501584169.db2.gz MHFUVPRYWHDNPF-VIFPVBQESA-N 1 2 360.395 3.120 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459066787 501587286 /nfs/dbraw/zinc/58/72/86/501587286.db2.gz VDEYMVOQOVQCER-ZDUSSCGKSA-N 1 2 357.414 3.246 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000598989618 506265649 /nfs/dbraw/zinc/26/56/49/506265649.db2.gz OEWLWPONQGEFRO-UHFFFAOYSA-N 1 2 358.320 3.036 20 5 FGBDLO CN(CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1[N+](=O)[O-] ZINC000463496496 501742249 /nfs/dbraw/zinc/74/22/49/501742249.db2.gz FUDNGHNSCPXLOG-UHFFFAOYSA-N 1 2 351.366 3.060 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481731932 501866965 /nfs/dbraw/zinc/86/69/65/501866965.db2.gz RFJGFTZPJDGDIS-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481731932 501866973 /nfs/dbraw/zinc/86/69/73/501866973.db2.gz RFJGFTZPJDGDIS-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)o2)cc1 ZINC000485714902 501912846 /nfs/dbraw/zinc/91/28/46/501912846.db2.gz FZLWYNAYLBOGKJ-LJQANCHMSA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)o2)cc1 ZINC000485714902 501912851 /nfs/dbraw/zinc/91/28/51/501912851.db2.gz FZLWYNAYLBOGKJ-LJQANCHMSA-N 1 2 372.421 3.482 20 5 FGBDLO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000468136941 501969602 /nfs/dbraw/zinc/96/96/02/501969602.db2.gz SZQYKBDKNUHNNJ-OAHLLOKOSA-N 1 2 370.247 3.418 20 5 FGBDLO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000468136941 501969609 /nfs/dbraw/zinc/96/96/09/501969609.db2.gz SZQYKBDKNUHNNJ-OAHLLOKOSA-N 1 2 370.247 3.418 20 5 FGBDLO COc1cc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])cc1F ZINC000464486392 502003063 /nfs/dbraw/zinc/00/30/63/502003063.db2.gz JIZQRJFVXIVUOC-QGZVFWFLSA-N 1 2 373.388 3.272 20 5 FGBDLO Cc1nc2[nH]ccc2c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]1 ZINC000486016603 502019005 /nfs/dbraw/zinc/01/90/05/502019005.db2.gz HNZZGDLLTYLXLD-UHFFFAOYSA-N 1 2 351.288 3.227 20 5 FGBDLO CCc1cc(N2CC[C@H](C(=O)OC)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000468731183 502162527 /nfs/dbraw/zinc/16/25/27/502162527.db2.gz ADJRVDXARLPAME-LRDDRELGSA-N 1 2 370.409 3.002 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000602787000 506297638 /nfs/dbraw/zinc/29/76/38/506297638.db2.gz ZIWXSLKDKVJBOO-LJQANCHMSA-N 1 2 351.410 3.006 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000602787000 506297649 /nfs/dbraw/zinc/29/76/49/506297649.db2.gz ZIWXSLKDKVJBOO-LJQANCHMSA-N 1 2 351.410 3.006 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479563409 502298568 /nfs/dbraw/zinc/29/85/68/502298568.db2.gz BQRHTZUNUHEMTE-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479563409 502298571 /nfs/dbraw/zinc/29/85/71/502298571.db2.gz BQRHTZUNUHEMTE-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO COCc1ccccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472355068 502328251 /nfs/dbraw/zinc/32/82/51/502328251.db2.gz XTDKFHGFXICDPE-UHFFFAOYSA-N 1 2 371.437 3.186 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000462408745 502425727 /nfs/dbraw/zinc/42/57/27/502425727.db2.gz ILDPCRHMVLAVPG-UHFFFAOYSA-N 1 2 367.449 3.424 20 5 FGBDLO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000487433251 502443129 /nfs/dbraw/zinc/44/31/29/502443129.db2.gz QYKNJIVOKHAYCJ-GUYCJALGSA-N 1 2 357.410 3.030 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000483811191 502499557 /nfs/dbraw/zinc/49/95/57/502499557.db2.gz WYKAYUJFCNFURR-UHFFFAOYSA-N 1 2 360.320 3.194 20 5 FGBDLO COc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596219531 506317115 /nfs/dbraw/zinc/31/71/15/506317115.db2.gz BVEFCCVRKLKHGC-UHFFFAOYSA-N 1 2 362.817 3.287 20 5 FGBDLO CCn1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21 ZINC000473130737 502523595 /nfs/dbraw/zinc/52/35/95/502523595.db2.gz DBXMKPFRWAWLRN-UHFFFAOYSA-N 1 2 365.437 3.287 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473212976 502544065 /nfs/dbraw/zinc/54/40/65/502544065.db2.gz DZKRQFYEYFQRAH-UHFFFAOYSA-N 1 2 364.365 3.158 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000470170855 502692541 /nfs/dbraw/zinc/69/25/41/502692541.db2.gz BDAZJCGQJCKDQG-RVDMUPIBSA-N 1 2 370.453 3.421 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000477208527 502707796 /nfs/dbraw/zinc/70/77/96/502707796.db2.gz JVYVKYSRCATDEM-UHFFFAOYSA-N 1 2 374.828 3.482 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C(F)F ZINC000500652248 502832860 /nfs/dbraw/zinc/83/28/60/502832860.db2.gz NKOOOBVNEPBYCP-CYBMUJFWSA-N 1 2 350.325 3.040 20 5 FGBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266095 502863227 /nfs/dbraw/zinc/86/32/27/502863227.db2.gz XRUZQAMTYVYTNV-STQMWFEESA-N 1 2 369.412 3.390 20 5 FGBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266095 502863231 /nfs/dbraw/zinc/86/32/31/502863231.db2.gz XRUZQAMTYVYTNV-STQMWFEESA-N 1 2 369.412 3.390 20 5 FGBDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000500792813 502864986 /nfs/dbraw/zinc/86/49/86/502864986.db2.gz GUMFJKOAUQPKML-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505483258 502913596 /nfs/dbraw/zinc/91/35/96/502913596.db2.gz HKPJJLWWYPXZTF-QGZVFWFLSA-N 1 2 357.385 3.083 20 5 FGBDLO Cc1cc(N[C@@H]2CCCc3c2cnn3C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489304397 502924235 /nfs/dbraw/zinc/92/42/35/502924235.db2.gz HSEUPIYXZQJNLO-MRXNPFEDSA-N 1 2 364.409 3.005 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505840953 502996968 /nfs/dbraw/zinc/99/69/68/502996968.db2.gz SJYWSIAUVIBERZ-MRXNPFEDSA-N 1 2 369.421 3.243 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505840953 502996971 /nfs/dbraw/zinc/99/69/71/502996971.db2.gz SJYWSIAUVIBERZ-MRXNPFEDSA-N 1 2 369.421 3.243 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000510158376 503060846 /nfs/dbraw/zinc/06/08/46/503060846.db2.gz GOUOJFPMTBNERV-UHFFFAOYSA-N 1 2 371.384 3.490 20 5 FGBDLO COCc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000514084288 503083620 /nfs/dbraw/zinc/08/36/20/503083620.db2.gz PHSDWOYGINMJKZ-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO COc1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514085765 503083853 /nfs/dbraw/zinc/08/38/53/503083853.db2.gz XJUCUTTXHCJBCC-GOSISDBHSA-N 1 2 352.394 3.216 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501864471 503096845 /nfs/dbraw/zinc/09/68/45/503096845.db2.gz UVCSLAYTHNTZMK-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501864471 503096848 /nfs/dbraw/zinc/09/68/48/503096848.db2.gz UVCSLAYTHNTZMK-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093386 503251669 /nfs/dbraw/zinc/25/16/69/503251669.db2.gz VNZLVLTXGQGKQW-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093386 503251672 /nfs/dbraw/zinc/25/16/72/503251672.db2.gz VNZLVLTXGQGKQW-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507261192 503263376 /nfs/dbraw/zinc/26/33/76/503263376.db2.gz JQSBTMZGFKJWIN-LJQANCHMSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507261192 503263378 /nfs/dbraw/zinc/26/33/78/503263378.db2.gz JQSBTMZGFKJWIN-LJQANCHMSA-N 1 2 369.421 3.088 20 5 FGBDLO C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1[N+](=O)[O-] ZINC000491993264 503341956 /nfs/dbraw/zinc/34/19/56/503341956.db2.gz AUMYUMYCNCMSSU-CYBMUJFWSA-N 1 2 366.381 3.117 20 5 FGBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000500416927 503619816 /nfs/dbraw/zinc/61/98/16/503619816.db2.gz PWRKPKQJIMFKSM-UHFFFAOYSA-N 1 2 372.805 3.081 20 5 FGBDLO CCc1cnc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000536672075 503670740 /nfs/dbraw/zinc/67/07/40/503670740.db2.gz GWNOJJWLKDSEOS-ALCCZGGFSA-N 1 2 358.467 3.449 20 5 FGBDLO CNc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000517474680 503752308 /nfs/dbraw/zinc/75/23/08/503752308.db2.gz OFMGJEWPKDCMSP-UHFFFAOYSA-N 1 2 355.329 3.214 20 5 FGBDLO CCc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000540852812 503913702 /nfs/dbraw/zinc/91/37/02/503913702.db2.gz YGVJWCDHLYOWAY-UHFFFAOYSA-N 1 2 350.378 3.477 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000544380204 504110955 /nfs/dbraw/zinc/11/09/55/504110955.db2.gz ZJZDMONACGZUDQ-IBGZPJMESA-N 1 2 368.368 3.412 20 5 FGBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c21 ZINC000544444229 504137442 /nfs/dbraw/zinc/13/74/42/504137442.db2.gz AOKSSDGMGXBNNN-UHFFFAOYSA-N 1 2 366.425 3.431 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000519555228 504251841 /nfs/dbraw/zinc/25/18/41/504251841.db2.gz YJIXAXVGSKERGE-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000519555228 504251846 /nfs/dbraw/zinc/25/18/46/504251846.db2.gz YJIXAXVGSKERGE-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165612 504387568 /nfs/dbraw/zinc/38/75/68/504387568.db2.gz GPBOORBMEWRJDD-UHFFFAOYSA-N 1 2 356.426 3.053 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000559154905 504793148 /nfs/dbraw/zinc/79/31/48/504793148.db2.gz JAIATHMSDBKQSS-UHFFFAOYSA-N 1 2 360.385 3.009 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000562403387 504808646 /nfs/dbraw/zinc/80/86/46/504808646.db2.gz KMWQWGBNZQECDN-CQSZACIVSA-N 1 2 350.378 3.200 20 5 FGBDLO COc1ccccc1COC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549536525 504844849 /nfs/dbraw/zinc/84/48/49/504844849.db2.gz BEXZUICDTOONBZ-UHFFFAOYSA-N 1 2 372.421 3.490 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000549541805 504845890 /nfs/dbraw/zinc/84/58/90/504845890.db2.gz FSULEHDBHCNHLJ-LBPRGKRZSA-N 1 2 370.331 3.353 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000549541805 504845893 /nfs/dbraw/zinc/84/58/93/504845893.db2.gz FSULEHDBHCNHLJ-LBPRGKRZSA-N 1 2 370.331 3.353 20 5 FGBDLO CCc1cc(NC[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553308622 504879388 /nfs/dbraw/zinc/87/93/88/504879388.db2.gz HMRKJMDKNZQGBS-ZFWWWQNUSA-N 1 2 356.426 3.121 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000562849062 504964510 /nfs/dbraw/zinc/96/45/10/504964510.db2.gz KHWUTXZFFZMRGN-RHSMWYFYSA-N 1 2 356.426 3.179 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550802555 505105236 /nfs/dbraw/zinc/10/52/36/505105236.db2.gz IBFCBGVVRIGILN-UHFFFAOYSA-N 1 2 366.421 3.347 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC000560544103 505120395 /nfs/dbraw/zinc/12/03/95/505120395.db2.gz DUVIDIHQZDHELI-LJQANCHMSA-N 1 2 364.405 3.238 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554369871 505156882 /nfs/dbraw/zinc/15/68/82/505156882.db2.gz SYSOXDUMRVEWEA-UHFFFAOYSA-N 1 2 367.814 3.060 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000554958675 505311786 /nfs/dbraw/zinc/31/17/86/505311786.db2.gz STOCXXSFGLVTQG-HNNXBMFYSA-N 1 2 350.806 3.290 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000554958675 505311789 /nfs/dbraw/zinc/31/17/89/505311789.db2.gz STOCXXSFGLVTQG-HNNXBMFYSA-N 1 2 350.806 3.290 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc(N2CCCC2)nc1)C1CC1 ZINC000552022466 505372502 /nfs/dbraw/zinc/37/25/02/505372502.db2.gz PNWJZSKHCIAOBI-UHFFFAOYSA-N 1 2 353.426 3.150 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc(N2CCCC2)nc1)C1CC1 ZINC000552022466 505372507 /nfs/dbraw/zinc/37/25/07/505372507.db2.gz PNWJZSKHCIAOBI-UHFFFAOYSA-N 1 2 353.426 3.150 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000561678176 505407348 /nfs/dbraw/zinc/40/73/48/505407348.db2.gz LMZHNOFWZOXYLD-CYBMUJFWSA-N 1 2 353.373 3.113 20 5 FGBDLO O=C1[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCN1C1CCCCC1 ZINC000596561833 506461896 /nfs/dbraw/zinc/46/18/96/506461896.db2.gz MTZUDLHHCOIRCO-KRWDZBQOSA-N 1 2 354.410 3.489 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591170 506476121 /nfs/dbraw/zinc/47/61/21/506476121.db2.gz HMFVNTGDJUBNKF-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591170 506476126 /nfs/dbraw/zinc/47/61/26/506476126.db2.gz HMFVNTGDJUBNKF-GUYCJALGSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596593803 506479688 /nfs/dbraw/zinc/47/96/88/506479688.db2.gz SKZHGHUJSBIJLX-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596593803 506479692 /nfs/dbraw/zinc/47/96/92/506479692.db2.gz SKZHGHUJSBIJLX-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000589272704 506504414 /nfs/dbraw/zinc/50/44/14/506504414.db2.gz OLQRNJWKTIPVJC-GDBMZVCRSA-N 1 2 367.833 3.076 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000589272704 506504422 /nfs/dbraw/zinc/50/44/22/506504422.db2.gz OLQRNJWKTIPVJC-GDBMZVCRSA-N 1 2 367.833 3.076 20 5 FGBDLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000599640904 506546098 /nfs/dbraw/zinc/54/60/98/506546098.db2.gz JBXVXMSXAXCSIO-INIZCTEOSA-N 1 2 367.365 3.083 20 5 FGBDLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000599640904 506546108 /nfs/dbraw/zinc/54/61/08/506546108.db2.gz JBXVXMSXAXCSIO-INIZCTEOSA-N 1 2 367.365 3.083 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000603743694 506608448 /nfs/dbraw/zinc/60/84/48/506608448.db2.gz FTIDBOKIBOGNDU-DAXSKMNVSA-N 1 2 357.435 3.128 20 5 FGBDLO COc1cc(C[NH2+]Cc2cocn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000609353927 506863055 /nfs/dbraw/zinc/86/30/55/506863055.db2.gz DLBHOUHHZFGLJB-UHFFFAOYSA-N 1 2 369.377 3.460 20 5 FGBDLO Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2CC2)o1 ZINC000590622367 506885129 /nfs/dbraw/zinc/88/51/29/506885129.db2.gz ZBJGXZLHDLVCIL-UHFFFAOYSA-N 1 2 366.377 3.487 20 5 FGBDLO COc1cccc2c1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000590759630 506940617 /nfs/dbraw/zinc/94/06/17/506940617.db2.gz BAZJOSIENISPJP-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000590759630 506940620 /nfs/dbraw/zinc/94/06/20/506940620.db2.gz BAZJOSIENISPJP-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000583851648 507007944 /nfs/dbraw/zinc/00/79/44/507007944.db2.gz GKJQXLUFBRVOOO-CYBMUJFWSA-N 1 2 373.457 3.383 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000583851648 507007952 /nfs/dbraw/zinc/00/79/52/507007952.db2.gz GKJQXLUFBRVOOO-CYBMUJFWSA-N 1 2 373.457 3.383 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610003895 507067761 /nfs/dbraw/zinc/06/77/61/507067761.db2.gz NFAXYZQBRZZGMS-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610003895 507067767 /nfs/dbraw/zinc/06/77/67/507067767.db2.gz NFAXYZQBRZZGMS-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1OC ZINC000584025568 507107290 /nfs/dbraw/zinc/10/72/90/507107290.db2.gz NSKFRNWMCPSIDZ-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1OC ZINC000584025568 507107299 /nfs/dbraw/zinc/10/72/99/507107299.db2.gz NSKFRNWMCPSIDZ-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO COc1cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc([N+](=O)[O-])c1OC ZINC000610197230 507134969 /nfs/dbraw/zinc/13/49/69/507134969.db2.gz HTTWVNHOAXOALD-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO CSCC1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000597988713 507209901 /nfs/dbraw/zinc/20/99/01/507209901.db2.gz CEMKLSGZMJMETM-UHFFFAOYSA-N 1 2 360.439 3.044 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610505736 507269227 /nfs/dbraw/zinc/26/92/27/507269227.db2.gz VLMXPLAJWLGBTG-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610505736 507269232 /nfs/dbraw/zinc/26/92/32/507269232.db2.gz VLMXPLAJWLGBTG-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](C)n4ncnc43)o2)c([N+](=O)[O-])c1 ZINC000594957975 507331528 /nfs/dbraw/zinc/33/15/28/507331528.db2.gz WNAOWCWDKSGJJZ-ABAIWWIYSA-N 1 2 369.381 3.251 20 5 FGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595046139 507366496 /nfs/dbraw/zinc/36/64/96/507366496.db2.gz XXVLYOSDIBDUAK-ZJUUUORDSA-N 1 2 365.411 3.258 20 5 FGBDLO O=C(C[N@@H+]1CCOCC2(CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000614222978 507412704 /nfs/dbraw/zinc/41/27/04/507412704.db2.gz XXTAOKVNOAQHGL-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCOCC2(CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000614222978 507412706 /nfs/dbraw/zinc/41/27/06/507412706.db2.gz XXTAOKVNOAQHGL-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2[nH]cc[nH+]2)cc1OC ZINC000595398830 507481617 /nfs/dbraw/zinc/48/16/17/507481617.db2.gz CUHDALLNWTWDGC-CYBMUJFWSA-N 1 2 362.430 3.383 20 5 FGBDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595478541 507520397 /nfs/dbraw/zinc/52/03/97/507520397.db2.gz AARGVOAXCXSUSG-CQSZACIVSA-N 1 2 369.425 3.150 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598648166 507532292 /nfs/dbraw/zinc/53/22/92/507532292.db2.gz HXRSHPHMFXXLNN-UHFFFAOYSA-N 1 2 356.382 3.388 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598648166 507532298 /nfs/dbraw/zinc/53/22/98/507532298.db2.gz HXRSHPHMFXXLNN-UHFFFAOYSA-N 1 2 356.382 3.388 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595519639 507541429 /nfs/dbraw/zinc/54/14/29/507541429.db2.gz AUYMFXGEAFXKJT-OAHLLOKOSA-N 1 2 372.425 3.183 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595519639 507541435 /nfs/dbraw/zinc/54/14/35/507541435.db2.gz AUYMFXGEAFXKJT-OAHLLOKOSA-N 1 2 372.425 3.183 20 5 FGBDLO CCS(=O)(=O)N(Cc1ccc(C)[nH+]c1C)c1ccc([N+](=O)[O-])cc1C ZINC000598730849 507571207 /nfs/dbraw/zinc/57/12/07/507571207.db2.gz SPHODSVUNWOZGG-UHFFFAOYSA-N 1 2 363.439 3.271 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595682560 507625764 /nfs/dbraw/zinc/62/57/64/507625764.db2.gz BGYWPNLUQQROKF-MRXNPFEDSA-N 1 2 364.373 3.228 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595702760 507637298 /nfs/dbraw/zinc/63/72/98/507637298.db2.gz KBASLZIUYXMOIK-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595702760 507637305 /nfs/dbraw/zinc/63/73/05/507637305.db2.gz KBASLZIUYXMOIK-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nnc2n1CCCCC2 ZINC000595798333 507692981 /nfs/dbraw/zinc/69/29/81/507692981.db2.gz BVPHTMNGLORGBC-HNNXBMFYSA-N 1 2 359.430 3.162 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000611526044 507723515 /nfs/dbraw/zinc/72/35/15/507723515.db2.gz CNFKFPHSIQEKCM-UHFFFAOYSA-N 1 2 371.485 3.041 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn(CC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000611560846 507739288 /nfs/dbraw/zinc/73/92/88/507739288.db2.gz OSIGUCDKDBOXDT-KRWDZBQOSA-N 1 2 352.398 3.136 20 5 FGBDLO Cc1cn2c([nH+]1)CN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000359896127 534509328 /nfs/dbraw/zinc/50/93/28/534509328.db2.gz JJEMODVTNRNAOA-UHFFFAOYSA-N 1 2 355.423 3.239 20 5 FGBDLO CC[N@@H+](c1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1)C(C)C ZINC000821241182 607160776 /nfs/dbraw/zinc/16/07/76/607160776.db2.gz KROSHOCLQCVMNU-UHFFFAOYSA-N 1 2 368.401 3.148 20 5 FGBDLO CC[N@H+](c1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1)C(C)C ZINC000821241182 607160778 /nfs/dbraw/zinc/16/07/78/607160778.db2.gz KROSHOCLQCVMNU-UHFFFAOYSA-N 1 2 368.401 3.148 20 5 FGBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000132349625 700826619 /nfs/dbraw/zinc/82/66/19/700826619.db2.gz FODGEVAWVGFOFL-UHFFFAOYSA-N 1 2 355.803 3.167 20 5 FGBDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000730570507 722469332 /nfs/dbraw/zinc/46/93/32/722469332.db2.gz LKGJRYIDJAJULP-UHFFFAOYSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000744424436 722576756 /nfs/dbraw/zinc/57/67/56/722576756.db2.gz XAPGXSSRPIZOLO-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000744424436 722576757 /nfs/dbraw/zinc/57/67/57/722576757.db2.gz XAPGXSSRPIZOLO-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000749812322 722742816 /nfs/dbraw/zinc/74/28/16/722742816.db2.gz TYQDTGVQYJJXQG-LBPRGKRZSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000749812322 722742819 /nfs/dbraw/zinc/74/28/19/722742819.db2.gz TYQDTGVQYJJXQG-LBPRGKRZSA-N 1 2 353.394 3.175 20 5 FGBDLO C[N@@H+](CCc1ccncc1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000757887482 722980824 /nfs/dbraw/zinc/98/08/24/722980824.db2.gz LVMNLDOMRBDOPN-UHFFFAOYSA-N 1 2 350.216 3.427 20 5 FGBDLO C[N@H+](CCc1ccncc1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000757887482 722980823 /nfs/dbraw/zinc/98/08/23/722980823.db2.gz LVMNLDOMRBDOPN-UHFFFAOYSA-N 1 2 350.216 3.427 20 5 FGBDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891168 723378154 /nfs/dbraw/zinc/37/81/54/723378154.db2.gz DWDFCIWTUAMWPJ-MNOVXSKESA-N 1 2 355.232 3.283 20 5 FGBDLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891168 723378156 /nfs/dbraw/zinc/37/81/56/723378156.db2.gz DWDFCIWTUAMWPJ-MNOVXSKESA-N 1 2 355.232 3.283 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793365521 723430975 /nfs/dbraw/zinc/43/09/75/723430975.db2.gz FRYUWADWWOJRPH-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO Cc1cccc(C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1C ZINC000793541972 723447247 /nfs/dbraw/zinc/44/72/47/723447247.db2.gz HGFULWPVTFOECL-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO Cc1cccc(C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1C ZINC000793541972 723447251 /nfs/dbraw/zinc/44/72/51/723447251.db2.gz HGFULWPVTFOECL-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796507114 723640854 /nfs/dbraw/zinc/64/08/54/723640854.db2.gz CXVCXGVAWRLAPJ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796507114 723640856 /nfs/dbraw/zinc/64/08/56/723640856.db2.gz CXVCXGVAWRLAPJ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ccc(Br)n1 ZINC000767965353 723642001 /nfs/dbraw/zinc/64/20/01/723642001.db2.gz MPAPODIZPRIUJA-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ccc(Br)n1 ZINC000767965353 723642003 /nfs/dbraw/zinc/64/20/03/723642003.db2.gz MPAPODIZPRIUJA-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO O=[N+]([O-])c1cc(CN2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000769312350 723682164 /nfs/dbraw/zinc/68/21/64/723682164.db2.gz QMJVVQNMXAQABM-ZDUSSCGKSA-N 1 2 365.231 3.391 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000769882076 723698844 /nfs/dbraw/zinc/69/88/44/723698844.db2.gz DYJBIJWKHYQOEY-BXUZGUMPSA-N 1 2 353.394 3.079 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000769882076 723698845 /nfs/dbraw/zinc/69/88/45/723698845.db2.gz DYJBIJWKHYQOEY-BXUZGUMPSA-N 1 2 353.394 3.079 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605992 723841657 /nfs/dbraw/zinc/84/16/57/723841657.db2.gz WUAPWBRFASEOQD-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605992 723841662 /nfs/dbraw/zinc/84/16/62/723841662.db2.gz WUAPWBRFASEOQD-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@H]1CCc2c(sc(=O)n2C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800866105 724239910 /nfs/dbraw/zinc/23/99/10/724239910.db2.gz SCIIDXPQDAKOAB-ZDUSSCGKSA-N 1 2 361.467 3.075 20 5 FGBDLO C[C@H]1CCc2c(sc(=O)n2C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800866105 724239912 /nfs/dbraw/zinc/23/99/12/724239912.db2.gz SCIIDXPQDAKOAB-ZDUSSCGKSA-N 1 2 361.467 3.075 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778178831 724307514 /nfs/dbraw/zinc/30/75/14/724307514.db2.gz BIBSTZYPKMSUIJ-UHFFFAOYSA-N 1 2 366.780 3.221 20 5 FGBDLO C[C@H](C[N@H+](C)Cn1nccc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000787245092 725022040 /nfs/dbraw/zinc/02/20/40/725022040.db2.gz JSUYKKGKQAVTOK-SNVBAGLBSA-N 1 2 359.213 3.455 20 5 FGBDLO C[C@H](C[N@@H+](C)Cn1nccc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000787245092 725022041 /nfs/dbraw/zinc/02/20/41/725022041.db2.gz JSUYKKGKQAVTOK-SNVBAGLBSA-N 1 2 359.213 3.455 20 5 FGBDLO Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc(C)[nH+]1 ZINC000817141817 727224102 /nfs/dbraw/zinc/22/41/02/727224102.db2.gz MYCRLZPNNGYHFR-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000830791240 729593949 /nfs/dbraw/zinc/59/39/49/729593949.db2.gz QORBAGKNRGMFDH-CYBMUJFWSA-N 1 2 361.785 3.245 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831773420 729666894 /nfs/dbraw/zinc/66/68/94/729666894.db2.gz NMJVBTXBMVIYLE-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831773420 729666895 /nfs/dbraw/zinc/66/68/95/729666895.db2.gz NMJVBTXBMVIYLE-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000883288017 737547501 /nfs/dbraw/zinc/54/75/01/737547501.db2.gz OMKXONXKGKGESS-UHFFFAOYSA-N 1 2 351.204 3.179 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000856747186 732052862 /nfs/dbraw/zinc/05/28/62/732052862.db2.gz KQYSOZDZZDUCIN-GFCCVEGCSA-N 1 2 364.199 3.410 20 5 FGBDLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000879097979 736954524 /nfs/dbraw/zinc/95/45/24/736954524.db2.gz PTBQXHPDPJQTAN-JTQLQIEISA-N 1 2 357.863 3.403 20 5 FGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000880109215 737121520 /nfs/dbraw/zinc/12/15/20/737121520.db2.gz TXLONPMENNTDBC-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295906 737548396 /nfs/dbraw/zinc/54/83/96/737548396.db2.gz XEXCYXOXUJPNPI-JTQLQIEISA-N 1 2 353.220 3.425 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000883295569 737548430 /nfs/dbraw/zinc/54/84/30/737548430.db2.gz MGDLEQBBSKXGRA-SNVBAGLBSA-N 1 2 365.231 3.351 20 5 FGBDLO CC1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000888810511 739581277 /nfs/dbraw/zinc/58/12/77/739581277.db2.gz FLSNYMDXMDSSDU-CYBMUJFWSA-N 1 2 360.439 3.185 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCn3nncc3C2)s1 ZINC000895757530 742451495 /nfs/dbraw/zinc/45/14/95/742451495.db2.gz XAZDXDGNFMMYLF-UHFFFAOYSA-N 1 2 355.423 3.321 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCn3nncc3C2)s1 ZINC000895757530 742451499 /nfs/dbraw/zinc/45/14/99/742451499.db2.gz XAZDXDGNFMMYLF-UHFFFAOYSA-N 1 2 355.423 3.321 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930983086 760745592 /nfs/dbraw/zinc/74/55/92/760745592.db2.gz NJOBPKLRHBSELR-UHFFFAOYSA-N 1 2 361.829 3.213 20 5 FGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)c1C ZINC000931216994 760801918 /nfs/dbraw/zinc/80/19/18/760801918.db2.gz XWULATJHOGGNAR-UHFFFAOYSA-N 1 2 361.423 3.267 20 5 FGBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046099630 257341395 /nfs/dbraw/zinc/34/13/95/257341395.db2.gz XKDVFKKREGEXQN-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO CCOc1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000302076670 257383285 /nfs/dbraw/zinc/38/32/85/257383285.db2.gz AADOWXSJTHEOFI-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000570999982 505629837 /nfs/dbraw/zinc/62/98/37/505629837.db2.gz UHAWHIAYGVFNOF-IUODEOHRSA-N 1 2 365.430 3.022 20 5 FGBDLO C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068171301 493771083 /nfs/dbraw/zinc/77/10/83/493771083.db2.gz YLGTUEXTQSDYCW-ZDUSSCGKSA-N 1 2 351.366 3.009 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000081088049 493829522 /nfs/dbraw/zinc/82/95/22/493829522.db2.gz IGCIDIGVCKXJNK-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000058354427 493846125 /nfs/dbraw/zinc/84/61/25/493846125.db2.gz XXXQZRCWNNAXPX-UHFFFAOYSA-N 1 2 368.437 3.085 20 5 FGBDLO Cc1nn(C)c(C)c1CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858921 493956735 /nfs/dbraw/zinc/95/67/35/493956735.db2.gz XHXXCRZUBSPJCU-UHFFFAOYSA-N 1 2 366.425 3.365 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000077170823 494026050 /nfs/dbraw/zinc/02/60/50/494026050.db2.gz QXNYOHHRQGSHHB-MRXNPFEDSA-N 1 2 358.398 3.097 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000077170823 494026054 /nfs/dbraw/zinc/02/60/54/494026054.db2.gz QXNYOHHRQGSHHB-MRXNPFEDSA-N 1 2 358.398 3.097 20 5 FGBDLO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000077283610 494047661 /nfs/dbraw/zinc/04/76/61/494047661.db2.gz LCDAYGHIGSSSSU-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000052660114 494051108 /nfs/dbraw/zinc/05/11/08/494051108.db2.gz GMWHRDSMUDUVPL-UHFFFAOYSA-N 1 2 353.382 3.465 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1F ZINC000007911373 494051215 /nfs/dbraw/zinc/05/12/15/494051215.db2.gz IASDRASNVLLRPY-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1F ZINC000007911373 494051219 /nfs/dbraw/zinc/05/12/19/494051219.db2.gz IASDRASNVLLRPY-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000063464854 494057209 /nfs/dbraw/zinc/05/72/09/494057209.db2.gz LLPSQDKWRLVPFX-VMPITWQZSA-N 1 2 365.433 3.374 20 5 FGBDLO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010457181 494154028 /nfs/dbraw/zinc/15/40/28/494154028.db2.gz ONBNXHYRIDEAAL-UHFFFAOYSA-N 1 2 369.421 3.216 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000087126310 494174824 /nfs/dbraw/zinc/17/48/24/494174824.db2.gz VHCVOTGKXBNRBY-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054220681 494207825 /nfs/dbraw/zinc/20/78/25/494207825.db2.gz GHPIYDSHCAHIOG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054220681 494207830 /nfs/dbraw/zinc/20/78/30/494207830.db2.gz GHPIYDSHCAHIOG-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO CCc1cc(NC[C@@](C)(O)CSC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078022544 494213259 /nfs/dbraw/zinc/21/32/59/494213259.db2.gz CHIWOHGFELTVTM-QGZVFWFLSA-N 1 2 362.455 3.140 20 5 FGBDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349615 494228775 /nfs/dbraw/zinc/22/87/75/494228775.db2.gz KPIYAYGCEQKUDY-UHFFFAOYSA-N 1 2 362.389 3.038 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000054516390 494243340 /nfs/dbraw/zinc/24/33/40/494243340.db2.gz NDNVQSRHYQADCB-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042799370 494245503 /nfs/dbraw/zinc/24/55/03/494245503.db2.gz KXWTYQIGRGSXEZ-UHFFFAOYSA-N 1 2 365.176 3.479 20 5 FGBDLO O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000043695355 494312383 /nfs/dbraw/zinc/31/23/83/494312383.db2.gz CSGQUWGCZPFWGT-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000066566122 494356153 /nfs/dbraw/zinc/35/61/53/494356153.db2.gz DVCMECRDBQYHCY-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000066566122 494356155 /nfs/dbraw/zinc/35/61/55/494356155.db2.gz DVCMECRDBQYHCY-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044439550 494357267 /nfs/dbraw/zinc/35/72/67/494357267.db2.gz SGWUBGHGHRLEAA-UHFFFAOYSA-N 1 2 372.331 3.331 20 5 FGBDLO Cc1cc(N)nc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000017725695 494416400 /nfs/dbraw/zinc/41/64/00/494416400.db2.gz KQUAQWPAMSKXKR-VIFPVBQESA-N 1 2 358.383 3.179 20 5 FGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045310859 494416664 /nfs/dbraw/zinc/41/66/64/494416664.db2.gz WPGVFXGWSGPZNL-UHFFFAOYSA-N 1 2 365.393 3.204 20 5 FGBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000018060131 494422367 /nfs/dbraw/zinc/42/23/67/494422367.db2.gz XGIBTRWTPVSOLR-UHFFFAOYSA-N 1 2 350.378 3.196 20 5 FGBDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853021 494426813 /nfs/dbraw/zinc/42/68/13/494426813.db2.gz RIWWFVGEMCRFOK-IFXJQAMLSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066853021 494426815 /nfs/dbraw/zinc/42/68/15/494426815.db2.gz RIWWFVGEMCRFOK-IFXJQAMLSA-N 1 2 370.405 3.423 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000045878271 494472837 /nfs/dbraw/zinc/47/28/37/494472837.db2.gz RCBTXPAFGCPRBJ-UHFFFAOYSA-N 1 2 355.398 3.302 20 5 FGBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000046230324 494506659 /nfs/dbraw/zinc/50/66/59/494506659.db2.gz XSOQRWPSDQHQNL-IBGZPJMESA-N 1 2 357.410 3.089 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000046342252 494517195 /nfs/dbraw/zinc/51/71/95/494517195.db2.gz WQTPRJPISHMNCT-BETUJISGSA-N 1 2 359.382 3.049 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000046342252 494517199 /nfs/dbraw/zinc/51/71/99/494517199.db2.gz WQTPRJPISHMNCT-BETUJISGSA-N 1 2 359.382 3.049 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131457349 494626089 /nfs/dbraw/zinc/62/60/89/494626089.db2.gz QOLLWAKITOCRRC-QGZVFWFLSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131457349 494626096 /nfs/dbraw/zinc/62/60/96/494626096.db2.gz QOLLWAKITOCRRC-QGZVFWFLSA-N 1 2 373.409 3.418 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000131498897 494640163 /nfs/dbraw/zinc/64/01/63/494640163.db2.gz YSCVYYBDQZQOSS-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000131498897 494640169 /nfs/dbraw/zinc/64/01/69/494640169.db2.gz YSCVYYBDQZQOSS-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000131540644 494652213 /nfs/dbraw/zinc/65/22/13/494652213.db2.gz QUEKLDRAQBCIAE-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047189304 494652368 /nfs/dbraw/zinc/65/23/68/494652368.db2.gz HUDXBIIGQLBTJU-KBXCAEBGSA-N 1 2 372.425 3.106 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000057138782 494653957 /nfs/dbraw/zinc/65/39/57/494653957.db2.gz GQUWKOUMLYNIAY-CHWSQXEVSA-N 1 2 360.389 3.355 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047250764 494664603 /nfs/dbraw/zinc/66/46/03/494664603.db2.gz FTDAECUAGAHRIJ-UHFFFAOYSA-N 1 2 352.350 3.101 20 5 FGBDLO Cc1cccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000121275692 494677600 /nfs/dbraw/zinc/67/76/00/494677600.db2.gz SZXHDKIHBSOVNC-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103994 494701813 /nfs/dbraw/zinc/70/18/13/494701813.db2.gz BKPMABAXMQFRAK-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO CSc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000116239555 494741657 /nfs/dbraw/zinc/74/16/57/494741657.db2.gz JAGCEADKHCLCIO-UHFFFAOYSA-N 1 2 355.379 3.150 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cn1 ZINC000026483751 494828628 /nfs/dbraw/zinc/82/86/28/494828628.db2.gz IXAJDYYMUHPAQW-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000121700795 494840975 /nfs/dbraw/zinc/84/09/75/494840975.db2.gz PADJOFDAASUHSO-LJQANCHMSA-N 1 2 353.378 3.484 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000121700795 494840979 /nfs/dbraw/zinc/84/09/79/494840979.db2.gz PADJOFDAASUHSO-LJQANCHMSA-N 1 2 353.378 3.484 20 5 FGBDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027359692 494863617 /nfs/dbraw/zinc/86/36/17/494863617.db2.gz ZFGFAODJBXMHDB-UHFFFAOYSA-N 1 2 353.831 3.431 20 5 FGBDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027359692 494863623 /nfs/dbraw/zinc/86/36/23/494863623.db2.gz ZFGFAODJBXMHDB-UHFFFAOYSA-N 1 2 353.831 3.431 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000127010853 494879963 /nfs/dbraw/zinc/87/99/63/494879963.db2.gz VTZQJBCWRHBNCM-UHFFFAOYSA-N 1 2 368.437 3.250 20 5 FGBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121889901 494883250 /nfs/dbraw/zinc/88/32/50/494883250.db2.gz NQWYYHDYZLNKPQ-SFHVURJKSA-N 1 2 368.437 3.073 20 5 FGBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121889901 494883255 /nfs/dbraw/zinc/88/32/55/494883255.db2.gz NQWYYHDYZLNKPQ-SFHVURJKSA-N 1 2 368.437 3.073 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000093969809 494938848 /nfs/dbraw/zinc/93/88/48/494938848.db2.gz RZSVNLABGXKQAV-UHFFFAOYSA-N 1 2 368.437 3.314 20 5 FGBDLO CC(C)CCn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000122365195 494964251 /nfs/dbraw/zinc/96/42/51/494964251.db2.gz NSUBMHZRQKNFGT-UHFFFAOYSA-N 1 2 368.397 3.275 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122489251 494983997 /nfs/dbraw/zinc/98/39/97/494983997.db2.gz WVUORXUSPUESLC-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096636802 495013890 /nfs/dbraw/zinc/01/38/90/495013890.db2.gz KOWDASMUFRAVPZ-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO CCC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000128117096 495046923 /nfs/dbraw/zinc/04/69/23/495046923.db2.gz BYRDNEDAKPOMRT-LBPRGKRZSA-N 1 2 369.849 3.060 20 5 FGBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134449754 495151780 /nfs/dbraw/zinc/15/17/80/495151780.db2.gz KNCRYTAJGPDDCP-UHFFFAOYSA-N 1 2 354.341 3.124 20 5 FGBDLO O=C(c1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128805425 495153050 /nfs/dbraw/zinc/15/30/50/495153050.db2.gz IMWAMEIIDQHAQM-QPJJXVBHSA-N 1 2 369.396 3.205 20 5 FGBDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103470139 495237804 /nfs/dbraw/zinc/23/78/04/495237804.db2.gz QXMQQXDWOPLZFX-UHFFFAOYSA-N 1 2 372.396 3.441 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000124131337 495238585 /nfs/dbraw/zinc/23/85/85/495238585.db2.gz YCNRDNVAXSCYIF-FZKQIMNGSA-N 1 2 369.425 3.089 20 5 FGBDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103482389 495241884 /nfs/dbraw/zinc/24/18/84/495241884.db2.gz YUOGYYFIHXYFKZ-UHFFFAOYSA-N 1 2 359.401 3.458 20 5 FGBDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103482389 495241889 /nfs/dbraw/zinc/24/18/89/495241889.db2.gz YUOGYYFIHXYFKZ-UHFFFAOYSA-N 1 2 359.401 3.458 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124157012 495243058 /nfs/dbraw/zinc/24/30/58/495243058.db2.gz MONFDJMKZQWKML-IBGZPJMESA-N 1 2 369.421 3.051 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124157012 495243060 /nfs/dbraw/zinc/24/30/60/495243060.db2.gz MONFDJMKZQWKML-IBGZPJMESA-N 1 2 369.421 3.051 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135230733 495265450 /nfs/dbraw/zinc/26/54/50/495265450.db2.gz UGMBUMCMOLCVBX-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135230733 495265456 /nfs/dbraw/zinc/26/54/56/495265456.db2.gz UGMBUMCMOLCVBX-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124410804 495282408 /nfs/dbraw/zinc/28/24/08/495282408.db2.gz FYLSECAGDATSPF-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO Cc1ccn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)c(=O)c1[N+](=O)[O-] ZINC000129725019 495286496 /nfs/dbraw/zinc/28/64/96/495286496.db2.gz RHUIGZLYTDVHFW-UHFFFAOYSA-N 1 2 353.165 3.068 20 5 FGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120289281 495344152 /nfs/dbraw/zinc/34/41/52/495344152.db2.gz KSRIWUBOZXGPPD-MRXNPFEDSA-N 1 2 357.414 3.264 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130327253 495374266 /nfs/dbraw/zinc/37/42/66/495374266.db2.gz VDWYOSWZGFQXOE-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130674370 495428163 /nfs/dbraw/zinc/42/81/63/495428163.db2.gz QQDSAVHVPZXMKR-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO CN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130674370 495428166 /nfs/dbraw/zinc/42/81/66/495428166.db2.gz QQDSAVHVPZXMKR-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO Cc1sc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1[N+](=O)[O-] ZINC000115413520 495501624 /nfs/dbraw/zinc/50/16/24/495501624.db2.gz UNEFXBWPVNCCAR-ZDUSSCGKSA-N 1 2 369.393 3.276 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000106878997 495506680 /nfs/dbraw/zinc/50/66/80/495506680.db2.gz PNTXFASZIVMAGX-LBPRGKRZSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000106878997 495506684 /nfs/dbraw/zinc/50/66/84/495506684.db2.gz PNTXFASZIVMAGX-LBPRGKRZSA-N 1 2 374.466 3.250 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000173466139 495542000 /nfs/dbraw/zinc/54/20/00/495542000.db2.gz QBXZERWPPOLROC-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000173466139 495542005 /nfs/dbraw/zinc/54/20/05/495542005.db2.gz QBXZERWPPOLROC-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580582256 505790627 /nfs/dbraw/zinc/79/06/27/505790627.db2.gz QGSPHMXOWQEYPB-TZMCWYRMSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580582256 505790630 /nfs/dbraw/zinc/79/06/30/505790630.db2.gz QGSPHMXOWQEYPB-TZMCWYRMSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185522290 495608746 /nfs/dbraw/zinc/60/87/46/495608746.db2.gz WJVNDLITMSCANN-UONOGXRCSA-N 1 2 374.416 3.052 20 5 FGBDLO CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000185620357 495647989 /nfs/dbraw/zinc/64/79/89/495647989.db2.gz VKSPVLWKVZZNDR-UHFFFAOYSA-N 1 2 358.427 3.252 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182658429 495651723 /nfs/dbraw/zinc/65/17/23/495651723.db2.gz MYFFNSUULMTLGH-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182658429 495651727 /nfs/dbraw/zinc/65/17/27/495651727.db2.gz MYFFNSUULMTLGH-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000176485509 495667711 /nfs/dbraw/zinc/66/77/11/495667711.db2.gz KTLZPIMPHQFRDY-UHFFFAOYSA-N 1 2 368.368 3.103 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000170955938 495668268 /nfs/dbraw/zinc/66/82/68/495668268.db2.gz ZOHNBDKJFNNJMU-ZDUSSCGKSA-N 1 2 355.394 3.161 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000170955938 495668275 /nfs/dbraw/zinc/66/82/75/495668275.db2.gz ZOHNBDKJFNNJMU-ZDUSSCGKSA-N 1 2 355.394 3.161 20 5 FGBDLO CCc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000174146902 495838124 /nfs/dbraw/zinc/83/81/24/495838124.db2.gz OKOQAPZCJAIFOA-UHFFFAOYSA-N 1 2 357.410 3.450 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000171424772 495868265 /nfs/dbraw/zinc/86/82/65/495868265.db2.gz PABGOVPSBSJKPQ-UHFFFAOYSA-N 1 2 371.441 3.412 20 5 FGBDLO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000160047018 495872738 /nfs/dbraw/zinc/87/27/38/495872738.db2.gz REJPAHJBKKTIAJ-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)NCC1CCCCC1 ZINC000155288417 495906288 /nfs/dbraw/zinc/90/62/88/495906288.db2.gz NPZKDSWJDKZFAY-UHFFFAOYSA-N 1 2 374.441 3.301 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186315969 495944622 /nfs/dbraw/zinc/94/46/22/495944622.db2.gz RREOTHFGTUHYSQ-UHFFFAOYSA-N 1 2 358.785 3.223 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000155701165 496039984 /nfs/dbraw/zinc/03/99/84/496039984.db2.gz HDXBKYRXHHSZKI-UHFFFAOYSA-N 1 2 372.450 3.143 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000155701165 496039986 /nfs/dbraw/zinc/03/99/86/496039986.db2.gz HDXBKYRXHHSZKI-UHFFFAOYSA-N 1 2 372.450 3.143 20 5 FGBDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000180561069 496045203 /nfs/dbraw/zinc/04/52/03/496045203.db2.gz WDCLHVAORCEBQR-CQSZACIVSA-N 1 2 373.409 3.166 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000177394740 496045642 /nfs/dbraw/zinc/04/56/42/496045642.db2.gz XOYRMUQWEOPHRI-ZDUSSCGKSA-N 1 2 373.434 3.332 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000177394740 496045646 /nfs/dbraw/zinc/04/56/46/496045646.db2.gz XOYRMUQWEOPHRI-ZDUSSCGKSA-N 1 2 373.434 3.332 20 5 FGBDLO O=C(C[NH+]1CCC(COc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000171830051 496054971 /nfs/dbraw/zinc/05/49/71/496054971.db2.gz QRRILSQSLKKLBC-UHFFFAOYSA-N 1 2 369.421 3.324 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000152236139 496089527 /nfs/dbraw/zinc/08/95/27/496089527.db2.gz JAGROJRCKCDKDO-UHFFFAOYSA-N 1 2 358.373 3.084 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2n1C ZINC000152336647 496121479 /nfs/dbraw/zinc/12/14/79/496121479.db2.gz CLCZOTSFGRQNAL-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO Nc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2ccccc12 ZINC000152410579 496142106 /nfs/dbraw/zinc/14/21/06/496142106.db2.gz YEFFPNGTOMFXMG-UHFFFAOYSA-N 1 2 365.393 3.168 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152437579 496151696 /nfs/dbraw/zinc/15/16/96/496151696.db2.gz FDPLODMEZLLJME-DOMZBBRYSA-N 1 2 367.764 3.156 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152437579 496151704 /nfs/dbraw/zinc/15/17/04/496151704.db2.gz FDPLODMEZLLJME-DOMZBBRYSA-N 1 2 367.764 3.156 20 5 FGBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152441336 496152587 /nfs/dbraw/zinc/15/25/87/496152587.db2.gz PXACZOBLJIHNRQ-CYBMUJFWSA-N 1 2 360.801 3.042 20 5 FGBDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162068531 496290976 /nfs/dbraw/zinc/29/09/76/496290976.db2.gz MTRLJIDFYGHLHB-MRXNPFEDSA-N 1 2 373.384 3.366 20 5 FGBDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162068531 496290981 /nfs/dbraw/zinc/29/09/81/496290981.db2.gz MTRLJIDFYGHLHB-MRXNPFEDSA-N 1 2 373.384 3.366 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135467 496363525 /nfs/dbraw/zinc/36/35/25/496363525.db2.gz ORFGTXVMNVBTBI-AWEZNQCLSA-N 1 2 371.412 3.312 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135467 496363528 /nfs/dbraw/zinc/36/35/28/496363528.db2.gz ORFGTXVMNVBTBI-AWEZNQCLSA-N 1 2 371.412 3.312 20 5 FGBDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153306322 496415042 /nfs/dbraw/zinc/41/50/42/496415042.db2.gz UUWPFSAFKCLHGM-KRWDZBQOSA-N 1 2 372.425 3.447 20 5 FGBDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153306322 496415044 /nfs/dbraw/zinc/41/50/44/496415044.db2.gz UUWPFSAFKCLHGM-KRWDZBQOSA-N 1 2 372.425 3.447 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153362212 496431318 /nfs/dbraw/zinc/43/13/18/496431318.db2.gz MSSUXPULPIFHON-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000153362212 496431325 /nfs/dbraw/zinc/43/13/25/496431325.db2.gz MSSUXPULPIFHON-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO Cc1ccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nc1 ZINC000181540783 496438547 /nfs/dbraw/zinc/43/85/47/496438547.db2.gz WUSRTEGGVNXAOL-UHFFFAOYSA-N 1 2 368.393 3.483 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)sc1C ZINC000157511411 496492953 /nfs/dbraw/zinc/49/29/53/496492953.db2.gz SPZBPLBREUJCAZ-UHFFFAOYSA-N 1 2 350.419 3.129 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184857192 496559672 /nfs/dbraw/zinc/55/96/72/496559672.db2.gz FQSDFKBIMQDENX-KVSKMBFKSA-N 1 2 370.453 3.470 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000173208024 496593173 /nfs/dbraw/zinc/59/31/73/496593173.db2.gz MZCQNZXUFGISBV-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000173208024 496593179 /nfs/dbraw/zinc/59/31/79/496593179.db2.gz MZCQNZXUFGISBV-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000179092685 496671809 /nfs/dbraw/zinc/67/18/09/496671809.db2.gz PUCQCTJEFGKKGD-UHFFFAOYSA-N 1 2 350.378 3.232 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277347244 496744003 /nfs/dbraw/zinc/74/40/03/496744003.db2.gz ZOZWANQXSLPUBG-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000571988937 505863413 /nfs/dbraw/zinc/86/34/13/505863413.db2.gz KHJPCMMOAFWYOY-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273346283 496779493 /nfs/dbraw/zinc/77/94/93/496779493.db2.gz BTZFBJZTSAIXKA-ZDUSSCGKSA-N 1 2 373.388 3.040 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@](=O)C1 ZINC000277507329 496796887 /nfs/dbraw/zinc/79/68/87/496796887.db2.gz PUFMKGWJJLDYBN-PWECECGKSA-N 1 2 355.459 3.147 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@](=O)C1 ZINC000277507329 496796891 /nfs/dbraw/zinc/79/68/91/496796891.db2.gz PUFMKGWJJLDYBN-PWECECGKSA-N 1 2 355.459 3.147 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000277674060 496849431 /nfs/dbraw/zinc/84/94/31/496849431.db2.gz WGJKUHAZLMLMMM-UHFFFAOYSA-N 1 2 369.425 3.387 20 5 FGBDLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000191895091 496922780 /nfs/dbraw/zinc/92/27/80/496922780.db2.gz DMLNPYYFGAIYKY-UHFFFAOYSA-N 1 2 359.411 3.062 20 5 FGBDLO Cc1nn(C)c(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c1[N+](=O)[O-] ZINC000265110718 497049257 /nfs/dbraw/zinc/04/92/57/497049257.db2.gz HNWVRDFRDXOOAN-UHFFFAOYSA-N 1 2 372.454 3.469 20 5 FGBDLO Cc1nn(C)c(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1[N+](=O)[O-] ZINC000265110718 497049261 /nfs/dbraw/zinc/04/92/61/497049261.db2.gz HNWVRDFRDXOOAN-UHFFFAOYSA-N 1 2 372.454 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)nc2c1 ZINC000278684562 497189179 /nfs/dbraw/zinc/18/91/79/497189179.db2.gz MJDFXYYNMCDHTF-AWEZNQCLSA-N 1 2 359.411 3.069 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265865974 497197535 /nfs/dbraw/zinc/19/75/35/497197535.db2.gz UPCIEYJTNXTJOL-UHFFFAOYSA-N 1 2 371.441 3.230 20 5 FGBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000192738686 497200121 /nfs/dbraw/zinc/20/01/21/497200121.db2.gz TUOPAOJJPZIJAF-UHFFFAOYSA-N 1 2 357.435 3.134 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c1 ZINC000271112447 497266343 /nfs/dbraw/zinc/26/63/43/497266343.db2.gz BVWVVOVGZXJCDR-QGZVFWFLSA-N 1 2 374.466 3.225 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000245432624 497403740 /nfs/dbraw/zinc/40/37/40/497403740.db2.gz OTDAFVKAXGSPEA-BFUOFWGJSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000245432624 497403743 /nfs/dbraw/zinc/40/37/43/497403743.db2.gz OTDAFVKAXGSPEA-BFUOFWGJSA-N 1 2 355.394 3.235 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000271705043 497423460 /nfs/dbraw/zinc/42/34/60/497423460.db2.gz IJAMJVARWMDFGP-ZQIUZPCESA-N 1 2 357.414 3.145 20 5 FGBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000279389927 497425306 /nfs/dbraw/zinc/42/53/06/497425306.db2.gz VEGSQYNDQQZWFD-MRXNPFEDSA-N 1 2 363.461 3.181 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000279481567 497450910 /nfs/dbraw/zinc/45/09/10/497450910.db2.gz KWNDYRGGQBXFGC-CQSZACIVSA-N 1 2 367.409 3.425 20 5 FGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698080 497512890 /nfs/dbraw/zinc/51/28/90/497512890.db2.gz GRWBAILWBMIWJH-TYILLQQXSA-N 1 2 373.409 3.018 20 5 FGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000279698080 497512892 /nfs/dbraw/zinc/51/28/92/497512892.db2.gz GRWBAILWBMIWJH-TYILLQQXSA-N 1 2 373.409 3.018 20 5 FGBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[nH+]1 ZINC000280549448 497787231 /nfs/dbraw/zinc/78/72/31/497787231.db2.gz TUHRULFALPEDSS-UHFFFAOYSA-N 1 2 354.410 3.189 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCc2c(Br)cccc2C1 ZINC000364304180 497889192 /nfs/dbraw/zinc/88/91/92/497889192.db2.gz CHVQRMYEYOKNFV-UHFFFAOYSA-N 1 2 365.231 3.039 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCc2c(Br)cccc2C1 ZINC000364304180 497889198 /nfs/dbraw/zinc/88/91/98/497889198.db2.gz CHVQRMYEYOKNFV-UHFFFAOYSA-N 1 2 365.231 3.039 20 5 FGBDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000301093260 497948297 /nfs/dbraw/zinc/94/82/97/497948297.db2.gz LMSOUTXKSMDJEI-HNNXBMFYSA-N 1 2 372.263 3.126 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289331229 498107562 /nfs/dbraw/zinc/10/75/62/498107562.db2.gz KYJHXLNMAGFWIP-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289331229 498107571 /nfs/dbraw/zinc/10/75/71/498107571.db2.gz KYJHXLNMAGFWIP-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296644863 498135846 /nfs/dbraw/zinc/13/58/46/498135846.db2.gz DQRIXPAVHYWVRA-CQSZACIVSA-N 1 2 361.377 3.391 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000296755470 498182631 /nfs/dbraw/zinc/18/26/31/498182631.db2.gz ILNXIWDVHHJONG-SWLSCSKDSA-N 1 2 357.414 3.182 20 5 FGBDLO CCc1cc(N2CC[C@](C)(C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301661530 498210852 /nfs/dbraw/zinc/21/08/52/498210852.db2.gz UQBNBICPXMUJAU-IBGZPJMESA-N 1 2 370.409 3.004 20 5 FGBDLO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942695 498222247 /nfs/dbraw/zinc/22/22/47/498222247.db2.gz GNTDIMUHBXMRJX-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942695 498222254 /nfs/dbraw/zinc/22/22/54/498222254.db2.gz GNTDIMUHBXMRJX-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281842164 498288663 /nfs/dbraw/zinc/28/86/63/498288663.db2.gz AQMBKIFAAMAJLF-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO CCc1noc(C)c1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293569741 498414289 /nfs/dbraw/zinc/41/42/89/498414289.db2.gz BFEFIXFQNIHICN-KRWDZBQOSA-N 1 2 355.398 3.066 20 5 FGBDLO Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286532052 498426665 /nfs/dbraw/zinc/42/66/65/498426665.db2.gz HYMTWAAQNKXUAI-MRXNPFEDSA-N 1 2 367.413 3.298 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282217983 498426896 /nfs/dbraw/zinc/42/68/96/498426896.db2.gz HASGOAAKAWOHIQ-GFCCVEGCSA-N 1 2 360.439 3.209 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365380222 498435230 /nfs/dbraw/zinc/43/52/30/498435230.db2.gz QOHVTSRQZZLUBS-MRXNPFEDSA-N 1 2 370.453 3.355 20 5 FGBDLO CCC(=O)c1ccc(N2CCCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000365419662 498459312 /nfs/dbraw/zinc/45/93/12/498459312.db2.gz QFERXCCGAZACOS-UHFFFAOYSA-N 1 2 354.410 3.299 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000331826101 498466738 /nfs/dbraw/zinc/46/67/38/498466738.db2.gz AXYOKHNUNGXHRD-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362704617 498541850 /nfs/dbraw/zinc/54/18/50/498541850.db2.gz URRUZPKCWVSCHY-LBPRGKRZSA-N 1 2 360.439 3.450 20 5 FGBDLO COc1ccc2[nH+]c(N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000302769252 498566490 /nfs/dbraw/zinc/56/64/90/498566490.db2.gz BJOJIEHNFBBPPA-AWEZNQCLSA-N 1 2 365.393 3.237 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000365696475 498603111 /nfs/dbraw/zinc/60/31/11/498603111.db2.gz SJRCTTFBELEPKE-LBPRGKRZSA-N 1 2 352.753 3.017 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC[NH+](CC(F)F)CC1 ZINC000298043027 498647349 /nfs/dbraw/zinc/64/73/49/498647349.db2.gz WEYSAYWVFNTSAY-UHFFFAOYSA-N 1 2 364.352 3.059 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c([N+](=O)[O-])c1 ZINC000365800923 498647522 /nfs/dbraw/zinc/64/75/22/498647522.db2.gz ZNPOEDYNMGLCDU-UHFFFAOYSA-N 1 2 373.369 3.143 20 5 FGBDLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365806738 498648227 /nfs/dbraw/zinc/64/82/27/498648227.db2.gz QXVQCYZORNODBX-OAHLLOKOSA-N 1 2 359.338 3.125 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303658902 498701007 /nfs/dbraw/zinc/70/10/07/498701007.db2.gz VZGNYTDQRIBLSB-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000303658902 498701013 /nfs/dbraw/zinc/70/10/13/498701013.db2.gz VZGNYTDQRIBLSB-AWEZNQCLSA-N 1 2 357.410 3.453 20 5 FGBDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000363567313 498882666 /nfs/dbraw/zinc/88/26/66/498882666.db2.gz YIBSOMHZAUKYRJ-UHFFFAOYSA-N 1 2 351.410 3.407 20 5 FGBDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000363567313 498882669 /nfs/dbraw/zinc/88/26/69/498882669.db2.gz YIBSOMHZAUKYRJ-UHFFFAOYSA-N 1 2 351.410 3.407 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000284044456 499037154 /nfs/dbraw/zinc/03/71/54/499037154.db2.gz LXLXLSVTQHTCAS-LBPRGKRZSA-N 1 2 373.363 3.295 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000284044456 499037160 /nfs/dbraw/zinc/03/71/60/499037160.db2.gz LXLXLSVTQHTCAS-LBPRGKRZSA-N 1 2 373.363 3.295 20 5 FGBDLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000291737208 499051733 /nfs/dbraw/zinc/05/17/33/499051733.db2.gz OLANFIPIISDITN-UHFFFAOYSA-N 1 2 362.455 3.449 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291781385 499065268 /nfs/dbraw/zinc/06/52/68/499065268.db2.gz COCBXUPFCFQGEN-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CN(c1ncnc2sc([N+](=O)[O-])cc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000367429228 499198172 /nfs/dbraw/zinc/19/81/72/499198172.db2.gz GSIXVSOYRXKHTE-UHFFFAOYSA-N 1 2 370.438 3.100 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000371296615 499307030 /nfs/dbraw/zinc/30/70/30/499307030.db2.gz BAYYCUZGDSQBES-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000371296615 499307031 /nfs/dbraw/zinc/30/70/31/499307031.db2.gz BAYYCUZGDSQBES-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000368791192 499332847 /nfs/dbraw/zinc/33/28/47/499332847.db2.gz QSARZADIMVFHSH-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019212 499357604 /nfs/dbraw/zinc/35/76/04/499357604.db2.gz OLWVVHJCWVXDFK-DZGCQCFKSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019212 499357605 /nfs/dbraw/zinc/35/76/05/499357605.db2.gz OLWVVHJCWVXDFK-DZGCQCFKSA-N 1 2 368.397 3.239 20 5 FGBDLO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372274080 499415827 /nfs/dbraw/zinc/41/58/27/499415827.db2.gz PKMHFKDEMJRVCP-GFCCVEGCSA-N 1 2 366.853 3.139 20 5 FGBDLO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372274080 499415828 /nfs/dbraw/zinc/41/58/28/499415828.db2.gz PKMHFKDEMJRVCP-GFCCVEGCSA-N 1 2 366.853 3.139 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000373102886 499451561 /nfs/dbraw/zinc/45/15/61/499451561.db2.gz CCDTZEOWKVGFJB-CQSZACIVSA-N 1 2 372.428 3.424 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000373570150 499477399 /nfs/dbraw/zinc/47/73/99/499477399.db2.gz YFLRDKPIQWYPKA-MRXNPFEDSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000373570150 499477400 /nfs/dbraw/zinc/47/74/00/499477400.db2.gz YFLRDKPIQWYPKA-MRXNPFEDSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000375393499 499513777 /nfs/dbraw/zinc/51/37/77/499513777.db2.gz QZDSOIQBJWNLQF-CYBMUJFWSA-N 1 2 365.777 3.190 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000375393499 499513778 /nfs/dbraw/zinc/51/37/78/499513778.db2.gz QZDSOIQBJWNLQF-CYBMUJFWSA-N 1 2 365.777 3.190 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000375659585 499542239 /nfs/dbraw/zinc/54/22/39/499542239.db2.gz XAOJJJPFRLNUNT-CQSZACIVSA-N 1 2 370.331 3.287 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376556141 499618356 /nfs/dbraw/zinc/61/83/56/499618356.db2.gz YBVBKDFUACECLM-CXAGYDPISA-N 1 2 370.409 3.020 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376556141 499618358 /nfs/dbraw/zinc/61/83/58/499618358.db2.gz YBVBKDFUACECLM-CXAGYDPISA-N 1 2 370.409 3.020 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1 ZINC000377629268 499712763 /nfs/dbraw/zinc/71/27/63/499712763.db2.gz WKOUBRSIOLBAIU-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1 ZINC000377629268 499712764 /nfs/dbraw/zinc/71/27/64/499712764.db2.gz WKOUBRSIOLBAIU-OAHLLOKOSA-N 1 2 366.381 3.162 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411326955 499726202 /nfs/dbraw/zinc/72/62/02/499726202.db2.gz NRMSLSQCZPZZPL-ZWKOTPCHSA-N 1 2 366.421 3.010 20 5 FGBDLO Cn1ncc2c1CCC[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000414469649 499796261 /nfs/dbraw/zinc/79/62/61/499796261.db2.gz GUSBKAOWRDODBD-UHFFFAOYSA-N 1 2 369.450 3.400 20 5 FGBDLO Cn1ncc2c1CCC[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000414469649 499796263 /nfs/dbraw/zinc/79/62/63/499796263.db2.gz GUSBKAOWRDODBD-UHFFFAOYSA-N 1 2 369.450 3.400 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000411945362 499805449 /nfs/dbraw/zinc/80/54/49/499805449.db2.gz NYAKLHFOPDEKQE-UHFFFAOYSA-N 1 2 353.378 3.142 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000411945362 499805451 /nfs/dbraw/zinc/80/54/51/499805451.db2.gz NYAKLHFOPDEKQE-UHFFFAOYSA-N 1 2 353.378 3.142 20 5 FGBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1noc(C2CC2)n1 ZINC000412072972 499820783 /nfs/dbraw/zinc/82/07/83/499820783.db2.gz LINGVBGMKQUSEA-UHFFFAOYSA-N 1 2 369.381 3.185 20 5 FGBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1noc(C2CC2)n1 ZINC000412072972 499820784 /nfs/dbraw/zinc/82/07/84/499820784.db2.gz LINGVBGMKQUSEA-UHFFFAOYSA-N 1 2 369.381 3.185 20 5 FGBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(C(F)(F)F)c1 ZINC000413115287 499915891 /nfs/dbraw/zinc/91/58/91/499915891.db2.gz FXPUHHILUAQVJA-UHFFFAOYSA-N 1 2 369.225 3.380 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421390105 500034968 /nfs/dbraw/zinc/03/49/68/500034968.db2.gz ZOQRUZHOQHEDSR-UHFFFAOYSA-N 1 2 365.433 3.430 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269934 506172316 /nfs/dbraw/zinc/17/23/16/506172316.db2.gz ADHKJYVPIWJKID-DOTOQJQBSA-N 1 2 350.390 3.276 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269934 506172320 /nfs/dbraw/zinc/17/23/20/506172320.db2.gz ADHKJYVPIWJKID-DOTOQJQBSA-N 1 2 350.390 3.276 20 5 FGBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000425487572 500120830 /nfs/dbraw/zinc/12/08/30/500120830.db2.gz VPNHEEVJKLDHPD-UHFFFAOYSA-N 1 2 369.215 3.253 20 5 FGBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000425487572 500120835 /nfs/dbraw/zinc/12/08/35/500120835.db2.gz VPNHEEVJKLDHPD-UHFFFAOYSA-N 1 2 369.215 3.253 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000421770080 500145232 /nfs/dbraw/zinc/14/52/32/500145232.db2.gz JHPIHGHPGZIVOO-MRXNPFEDSA-N 1 2 368.437 3.126 20 5 FGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000430192348 500206561 /nfs/dbraw/zinc/20/65/61/500206561.db2.gz BMUBCOHTCPGWQU-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000430192348 500206563 /nfs/dbraw/zinc/20/65/63/500206563.db2.gz BMUBCOHTCPGWQU-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000419319612 500352684 /nfs/dbraw/zinc/35/26/84/500352684.db2.gz WJIMSEUMBKHGKU-MRXNPFEDSA-N 1 2 355.394 3.077 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000419319612 500352686 /nfs/dbraw/zinc/35/26/86/500352686.db2.gz WJIMSEUMBKHGKU-MRXNPFEDSA-N 1 2 355.394 3.077 20 5 FGBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032659 500560689 /nfs/dbraw/zinc/56/06/89/500560689.db2.gz WZNWESYTMOPGNY-CHWSQXEVSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032659 500560693 /nfs/dbraw/zinc/56/06/93/500560693.db2.gz WZNWESYTMOPGNY-CHWSQXEVSA-N 1 2 374.441 3.271 20 5 FGBDLO CN(CCc1ccc(F)cc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804370 500665916 /nfs/dbraw/zinc/66/59/16/500665916.db2.gz FIXOCRWPGQWURP-UHFFFAOYSA-N 1 2 373.428 3.245 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccn2cc[nH+]c2c1 ZINC000447806604 500666706 /nfs/dbraw/zinc/66/67/06/500666706.db2.gz NYKZILOPOPCYCO-UHFFFAOYSA-N 1 2 360.757 3.295 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N(C)C)[nH+]c1 ZINC000447816625 500668949 /nfs/dbraw/zinc/66/89/49/500668949.db2.gz KDMOQJCJUDYSRH-UHFFFAOYSA-N 1 2 364.789 3.108 20 5 FGBDLO CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443110212 500681670 /nfs/dbraw/zinc/68/16/70/500681670.db2.gz MXBUMXCPIWHNHU-MWLCHTKSSA-N 1 2 352.778 3.006 20 5 FGBDLO C[C@@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000602570014 506220393 /nfs/dbraw/zinc/22/03/93/506220393.db2.gz RCYKVKIHWRMSIX-BDAKNGLRSA-N 1 2 360.277 3.134 20 5 FGBDLO C[C@@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[N@H+]1C1CC1 ZINC000602570014 506220397 /nfs/dbraw/zinc/22/03/97/506220397.db2.gz RCYKVKIHWRMSIX-BDAKNGLRSA-N 1 2 360.277 3.134 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000602571370 506220505 /nfs/dbraw/zinc/22/05/05/506220505.db2.gz LAZYVZWXUXJNGC-SNVBAGLBSA-N 1 2 357.233 3.309 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Br ZINC000602571370 506220509 /nfs/dbraw/zinc/22/05/09/506220509.db2.gz LAZYVZWXUXJNGC-SNVBAGLBSA-N 1 2 357.233 3.309 20 5 FGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1OCCc2ccccc21 ZINC000444614523 500867108 /nfs/dbraw/zinc/86/71/08/500867108.db2.gz YUMKORCTHDBBKA-SFHVURJKSA-N 1 2 352.394 3.217 20 5 FGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1OCCc2ccccc21 ZINC000444614523 500867111 /nfs/dbraw/zinc/86/71/11/500867111.db2.gz YUMKORCTHDBBKA-SFHVURJKSA-N 1 2 352.394 3.217 20 5 FGBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000445609744 501010522 /nfs/dbraw/zinc/01/05/22/501010522.db2.gz YCAAXWWOYWILFD-UHFFFAOYSA-N 1 2 365.393 3.013 20 5 FGBDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)o1 ZINC000598927423 506230663 /nfs/dbraw/zinc/23/06/63/506230663.db2.gz IGACAHCCBRQIRK-UHFFFAOYSA-N 1 2 363.439 3.261 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@H](CCO)c2ccco2)cc1Br ZINC000602613427 506232079 /nfs/dbraw/zinc/23/20/79/506232079.db2.gz ZSERKBRUHYTBIR-SNVBAGLBSA-N 1 2 361.217 3.225 20 5 FGBDLO C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000611623486 506233243 /nfs/dbraw/zinc/23/32/43/506233243.db2.gz WCSYPKNRODSLLE-KUHUBIRLSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@H](C1CC1)n1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC000450789974 501209776 /nfs/dbraw/zinc/20/97/76/501209776.db2.gz XGKUMHHUKIIKME-GFCCVEGCSA-N 1 2 366.381 3.200 20 5 FGBDLO CCN(CC)c1ccc(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000450254484 501219838 /nfs/dbraw/zinc/21/98/38/501219838.db2.gz JFKWGZHNUGWSOD-UHFFFAOYSA-N 1 2 372.425 3.164 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894008 501228550 /nfs/dbraw/zinc/22/85/50/501228550.db2.gz REQDPNROKMPTAF-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894008 501228552 /nfs/dbraw/zinc/22/85/52/501228552.db2.gz REQDPNROKMPTAF-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000455466724 501310590 /nfs/dbraw/zinc/31/05/90/501310590.db2.gz FSTLDLXOHAQZEA-UNEWFSDZSA-N 1 2 369.425 3.386 20 5 FGBDLO COC(=O)c1csc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451551224 501321069 /nfs/dbraw/zinc/32/10/69/501321069.db2.gz TXKDEUDCVVMYJP-CYBMUJFWSA-N 1 2 361.423 3.218 20 5 FGBDLO COC(=O)c1csc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451551224 501321071 /nfs/dbraw/zinc/32/10/71/501321071.db2.gz TXKDEUDCVVMYJP-CYBMUJFWSA-N 1 2 361.423 3.218 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456359245 501508811 /nfs/dbraw/zinc/50/88/11/501508811.db2.gz QSPAMWHVQACZPE-LLVKDONJSA-N 1 2 366.805 3.111 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456429677 501524065 /nfs/dbraw/zinc/52/40/65/501524065.db2.gz RWPGXQNEJARIGR-RNFRBKRXSA-N 1 2 371.216 3.051 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000456702179 501581265 /nfs/dbraw/zinc/58/12/65/501581265.db2.gz GTSASASVEFXFTP-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO CCOC1C[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000459600840 501684772 /nfs/dbraw/zinc/68/47/72/501684772.db2.gz WAESDSNVKRZUNS-UHFFFAOYSA-N 1 2 372.421 3.403 20 5 FGBDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455096364 501687191 /nfs/dbraw/zinc/68/71/91/501687191.db2.gz RHYCZBREKPPKJH-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000470698141 501772811 /nfs/dbraw/zinc/77/28/11/501772811.db2.gz WHTGNJBCGGWYPT-QGZVFWFLSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000470698141 501772818 /nfs/dbraw/zinc/77/28/18/501772818.db2.gz WHTGNJBCGGWYPT-QGZVFWFLSA-N 1 2 361.348 3.476 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481740423 501870784 /nfs/dbraw/zinc/87/07/84/501870784.db2.gz VFCOMOQTYDZANZ-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481740423 501870790 /nfs/dbraw/zinc/87/07/90/501870790.db2.gz VFCOMOQTYDZANZ-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO O=[N+]([O-])c1c(N[C@H]2CCCN(c3ncccn3)C2)ccc2c[nH+]ccc21 ZINC000599023226 506283402 /nfs/dbraw/zinc/28/34/02/506283402.db2.gz DAHFEWFUGUEICC-AWEZNQCLSA-N 1 2 350.382 3.014 20 5 FGBDLO O=C(c1ccco1)N1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599022942 506283693 /nfs/dbraw/zinc/28/36/93/506283693.db2.gz PASZVKATGIHVEV-UHFFFAOYSA-N 1 2 366.377 3.453 20 5 FGBDLO O=[N+]([O-])c1c(N[C@@H]2CCCN(c3ncccn3)C2)ccc2c[nH+]ccc21 ZINC000599023229 506283932 /nfs/dbraw/zinc/28/39/32/506283932.db2.gz DAHFEWFUGUEICC-CQSZACIVSA-N 1 2 350.382 3.014 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482459780 502074491 /nfs/dbraw/zinc/07/44/91/502074491.db2.gz OQYMQERIBWQVFK-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000482459780 502074497 /nfs/dbraw/zinc/07/44/97/502074497.db2.gz OQYMQERIBWQVFK-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778962 506293976 /nfs/dbraw/zinc/29/39/76/506293976.db2.gz JZNBOKPZKMEMIN-INIZCTEOSA-N 1 2 354.414 3.035 20 5 FGBDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602778962 506293984 /nfs/dbraw/zinc/29/39/84/506293984.db2.gz JZNBOKPZKMEMIN-INIZCTEOSA-N 1 2 354.414 3.035 20 5 FGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000461459888 502122753 /nfs/dbraw/zinc/12/27/53/502122753.db2.gz HJIUESCEUNFOKG-UHFFFAOYSA-N 1 2 368.349 3.049 20 5 FGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000461459888 502122756 /nfs/dbraw/zinc/12/27/56/502122756.db2.gz HJIUESCEUNFOKG-UHFFFAOYSA-N 1 2 368.349 3.049 20 5 FGBDLO CCC[C@@]1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000582567804 506298909 /nfs/dbraw/zinc/29/89/09/506298909.db2.gz FZFAIUVQXGLPQI-LJQANCHMSA-N 1 2 356.426 3.349 20 5 FGBDLO CN(Cc1ccc(F)cc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472045092 502209714 /nfs/dbraw/zinc/20/97/14/502209714.db2.gz QPCBUGUEQIJURX-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475895784 502323542 /nfs/dbraw/zinc/32/35/42/502323542.db2.gz ADWCNZFFPBCMGS-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000472354171 502326204 /nfs/dbraw/zinc/32/62/04/502326204.db2.gz UWPBTYOVCAILEA-HZPDHXFCSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000472354171 502326210 /nfs/dbraw/zinc/32/62/10/502326210.db2.gz UWPBTYOVCAILEA-HZPDHXFCSA-N 1 2 353.850 3.470 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000483494417 502411423 /nfs/dbraw/zinc/41/14/23/502411423.db2.gz UXGJSJMMOZWZON-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000483494417 502411425 /nfs/dbraw/zinc/41/14/25/502411425.db2.gz UXGJSJMMOZWZON-UHFFFAOYSA-N 1 2 371.256 3.413 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000602826516 506314622 /nfs/dbraw/zinc/31/46/22/506314622.db2.gz GZVZSWLIZAVXHT-MRXNPFEDSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000602826516 506314626 /nfs/dbraw/zinc/31/46/26/506314626.db2.gz GZVZSWLIZAVXHT-MRXNPFEDSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000602826516 506314630 /nfs/dbraw/zinc/31/46/30/506314630.db2.gz GZVZSWLIZAVXHT-MRXNPFEDSA-N 1 2 354.414 3.122 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000602826516 506314636 /nfs/dbraw/zinc/31/46/36/506314636.db2.gz GZVZSWLIZAVXHT-MRXNPFEDSA-N 1 2 354.414 3.122 20 5 FGBDLO CC(C)(C[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1)C(N)=O ZINC000599083846 506316228 /nfs/dbraw/zinc/31/62/28/506316228.db2.gz QGTCIDVLWIORPU-ZDUSSCGKSA-N 1 2 356.426 3.261 20 5 FGBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487789873 502529792 /nfs/dbraw/zinc/52/97/92/502529792.db2.gz YQMYNTCWALPKLQ-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO COc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000476671232 502558539 /nfs/dbraw/zinc/55/85/39/502558539.db2.gz XBCVYPNHBXJLTI-NSHDSACASA-N 1 2 358.398 3.194 20 5 FGBDLO COc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000476671232 502558544 /nfs/dbraw/zinc/55/85/44/502558544.db2.gz XBCVYPNHBXJLTI-NSHDSACASA-N 1 2 358.398 3.194 20 5 FGBDLO CCN(CC)c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000473527103 502623293 /nfs/dbraw/zinc/62/32/93/502623293.db2.gz STYTXIZQXGOHIW-UHFFFAOYSA-N 1 2 351.410 3.418 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000480788064 502672300 /nfs/dbraw/zinc/67/23/00/502672300.db2.gz RFFGLRRNGKVWFZ-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000480788064 502672305 /nfs/dbraw/zinc/67/23/05/502672305.db2.gz RFFGLRRNGKVWFZ-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)c1 ZINC000463091154 502691719 /nfs/dbraw/zinc/69/17/19/502691719.db2.gz ZDEVCUDPPWXTKF-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000470204521 502704516 /nfs/dbraw/zinc/70/45/16/502704516.db2.gz VUFBMWLXPXQIDK-SFQUDFHCSA-N 1 2 352.438 3.211 20 5 FGBDLO Cc1cc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000473791271 502707225 /nfs/dbraw/zinc/70/72/25/502707225.db2.gz XVZOLXKDXYCPRT-UHFFFAOYSA-N 1 2 365.393 3.107 20 5 FGBDLO COC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC000477307632 502737666 /nfs/dbraw/zinc/73/76/66/502737666.db2.gz YSOMUTBIFUDVGX-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473912470 502746292 /nfs/dbraw/zinc/74/62/92/502746292.db2.gz NGTGIUGWXHVMAL-ZDUSSCGKSA-N 1 2 366.377 3.319 20 5 FGBDLO CCOc1cc(C[N@H+](CC)CC(=O)N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000513223116 502882542 /nfs/dbraw/zinc/88/25/42/502882542.db2.gz LZWRNYITBOIIAF-UHFFFAOYSA-N 1 2 363.458 3.218 20 5 FGBDLO CCOc1cc(C[N@@H+](CC)CC(=O)N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000513223116 502882545 /nfs/dbraw/zinc/88/25/45/502882545.db2.gz LZWRNYITBOIIAF-UHFFFAOYSA-N 1 2 363.458 3.218 20 5 FGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505512547 502922813 /nfs/dbraw/zinc/92/28/13/502922813.db2.gz CZMQBMHOMBFXPR-MRXNPFEDSA-N 1 2 368.368 3.002 20 5 FGBDLO Cc1cc(N[C@H](CO)CC2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509526110 502926003 /nfs/dbraw/zinc/92/60/03/502926003.db2.gz QBZKUUBPPCTYJO-INIZCTEOSA-N 1 2 356.426 3.135 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000593023574 506342888 /nfs/dbraw/zinc/34/28/88/506342888.db2.gz VZFPQIBQJYPCFF-OAHLLOKOSA-N 1 2 362.382 3.014 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905874 506344919 /nfs/dbraw/zinc/34/49/19/506344919.db2.gz UVBTZDPHTXPMEN-UHFFFAOYSA-N 1 2 372.400 3.255 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000509753964 502980488 /nfs/dbraw/zinc/98/04/88/502980488.db2.gz CYHPYLBLBPKXJN-UHFFFAOYSA-N 1 2 357.413 3.173 20 5 FGBDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513707447 503004901 /nfs/dbraw/zinc/00/49/01/503004901.db2.gz DARUMUCDZXCBIG-DYVFJYSZSA-N 1 2 374.441 3.128 20 5 FGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513844011 503035140 /nfs/dbraw/zinc/03/51/40/503035140.db2.gz MPUZNMRWMCFTMZ-UHFFFAOYSA-N 1 2 362.389 3.433 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000513991489 503062604 /nfs/dbraw/zinc/06/26/04/503062604.db2.gz HDTJEAGLNTYXBI-KRWDZBQOSA-N 1 2 359.813 3.343 20 5 FGBDLO Cc1c(CC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000513996839 503064564 /nfs/dbraw/zinc/06/45/64/503064564.db2.gz MEVDBJZGWSAOES-QGZVFWFLSA-N 1 2 373.840 3.272 20 5 FGBDLO Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000490090798 503108058 /nfs/dbraw/zinc/10/80/58/503108058.db2.gz OPBFVLSHNOJTPT-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602926076 506354549 /nfs/dbraw/zinc/35/45/49/506354549.db2.gz PBZXJWVCDNDWGA-HNNXBMFYSA-N 1 2 373.457 3.195 20 5 FGBDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602926076 506354553 /nfs/dbraw/zinc/35/45/53/506354553.db2.gz PBZXJWVCDNDWGA-HNNXBMFYSA-N 1 2 373.457 3.195 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506654019 503150452 /nfs/dbraw/zinc/15/04/52/503150452.db2.gz MNJYGCCDEZOZGY-UHFFFAOYSA-N 1 2 350.378 3.466 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506654019 503150456 /nfs/dbraw/zinc/15/04/56/503150456.db2.gz MNJYGCCDEZOZGY-UHFFFAOYSA-N 1 2 350.378 3.466 20 5 FGBDLO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc21 ZINC000498571113 503215820 /nfs/dbraw/zinc/21/58/20/503215820.db2.gz PYOAYNAITGKHSF-UHFFFAOYSA-N 1 2 368.393 3.069 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCC=C(c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000511072600 503248160 /nfs/dbraw/zinc/24/81/60/503248160.db2.gz GBUQOZQFOXFWLL-QGZVFWFLSA-N 1 2 353.378 3.082 20 5 FGBDLO O=C1[C@H]([N@H+]2CCC=C(c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000511072600 503248161 /nfs/dbraw/zinc/24/81/61/503248161.db2.gz GBUQOZQFOXFWLL-QGZVFWFLSA-N 1 2 353.378 3.082 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263053 503264161 /nfs/dbraw/zinc/26/41/61/503264161.db2.gz NTXNPQQOMUISOZ-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263053 503264164 /nfs/dbraw/zinc/26/41/64/503264164.db2.gz NTXNPQQOMUISOZ-IFXJQAMLSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1cc(N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000491094856 503273116 /nfs/dbraw/zinc/27/31/16/503273116.db2.gz ZPSWSFPCHAETKA-UHFFFAOYSA-N 1 2 373.432 3.278 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1F ZINC000515539062 503360696 /nfs/dbraw/zinc/36/06/96/503360696.db2.gz GGJVOLNQSDDUQW-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cc1F ZINC000515539062 503360701 /nfs/dbraw/zinc/36/07/01/503360701.db2.gz GGJVOLNQSDDUQW-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO COc1c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000492811582 503386641 /nfs/dbraw/zinc/38/66/41/503386641.db2.gz WXKWELDJCAZNBT-INIZCTEOSA-N 1 2 366.377 3.188 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000492911364 503393131 /nfs/dbraw/zinc/39/31/31/503393131.db2.gz KVKWNVOGYMNIEP-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000492911364 503393132 /nfs/dbraw/zinc/39/31/32/503393132.db2.gz KVKWNVOGYMNIEP-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO CC(C)(C)Oc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000602962301 506368739 /nfs/dbraw/zinc/36/87/39/506368739.db2.gz IHQPCFPTVGVTHK-LJQANCHMSA-N 1 2 359.426 3.164 20 5 FGBDLO COc1cc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000493144058 503409540 /nfs/dbraw/zinc/40/95/40/503409540.db2.gz CHDNYWWDJPGYSD-QGZVFWFLSA-N 1 2 366.377 3.188 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000515903558 503418092 /nfs/dbraw/zinc/41/80/92/503418092.db2.gz TWCZRYDUASYHDR-HNNXBMFYSA-N 1 2 370.413 3.063 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073696 506376214 /nfs/dbraw/zinc/37/62/14/506376214.db2.gz WXKITCLIDYMZSD-LLVKDONJSA-N 1 2 369.368 3.052 20 5 FGBDLO COc1ccc(-c2ccc(CN(C)Cc3[nH+]ccn3C)o2)c([N+](=O)[O-])c1 ZINC000508678467 503542014 /nfs/dbraw/zinc/54/20/14/503542014.db2.gz NZYPXUDRCFGJHU-UHFFFAOYSA-N 1 2 356.382 3.229 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cn2c1 ZINC000516670795 503564635 /nfs/dbraw/zinc/56/46/35/503564635.db2.gz VALSUGSMRONHHX-UHFFFAOYSA-N 1 2 352.394 3.406 20 5 FGBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCC1CCCC1 ZINC000509022485 503622162 /nfs/dbraw/zinc/62/21/62/503622162.db2.gz LUKDVMVXSMSOCB-UHFFFAOYSA-N 1 2 355.385 3.048 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000540328564 503738379 /nfs/dbraw/zinc/73/83/79/503738379.db2.gz XVHFDWDKPFXFKJ-SNVBAGLBSA-N 1 2 365.336 3.171 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533427557 503841631 /nfs/dbraw/zinc/84/16/31/503841631.db2.gz XVOIBLPRTYRIQE-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533427557 503841635 /nfs/dbraw/zinc/84/16/35/503841635.db2.gz XVOIBLPRTYRIQE-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533469729 503857021 /nfs/dbraw/zinc/85/70/21/503857021.db2.gz VELDLAHGDRBULD-UHFFFAOYSA-N 1 2 356.304 3.020 20 5 FGBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000546735712 503859327 /nfs/dbraw/zinc/85/93/27/503859327.db2.gz OTIACIXHJBKWLX-MRXNPFEDSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000546735712 503859331 /nfs/dbraw/zinc/85/93/31/503859331.db2.gz OTIACIXHJBKWLX-MRXNPFEDSA-N 1 2 360.410 3.481 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517968220 503878160 /nfs/dbraw/zinc/87/81/60/503878160.db2.gz BUVVXDDEYWYCKE-IEBWSBKVSA-N 1 2 367.449 3.254 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517968220 503878164 /nfs/dbraw/zinc/87/81/64/503878164.db2.gz BUVVXDDEYWYCKE-IEBWSBKVSA-N 1 2 367.449 3.254 20 5 FGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000543790624 503895090 /nfs/dbraw/zinc/89/50/90/503895090.db2.gz VGGOOQQSIHLRNX-GOSISDBHSA-N 1 2 370.453 3.400 20 5 FGBDLO COc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000543884660 503927702 /nfs/dbraw/zinc/92/77/02/503927702.db2.gz KYLTZZMHAVQKDD-UHFFFAOYSA-N 1 2 359.386 3.012 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000543900981 503933576 /nfs/dbraw/zinc/93/35/76/503933576.db2.gz WXFGYMPLBPPCDT-UHFFFAOYSA-N 1 2 370.409 3.379 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518325310 503952826 /nfs/dbraw/zinc/95/28/26/503952826.db2.gz OLWMHDPOOJLRLE-UHFFFAOYSA-N 1 2 366.312 3.048 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000547107903 503986204 /nfs/dbraw/zinc/98/62/04/503986204.db2.gz SRBOZHINFHBUAQ-UHFFFAOYSA-N 1 2 363.333 3.410 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)[C@H]3CCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000537694025 504008611 /nfs/dbraw/zinc/00/86/11/504008611.db2.gz SMUNWRHTDACJEU-INIZCTEOSA-N 1 2 371.462 3.375 20 5 FGBDLO Cc1ccc(Sc2ccc(C[N@H+](C)[C@H]3CCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000537694025 504008615 /nfs/dbraw/zinc/00/86/15/504008615.db2.gz SMUNWRHTDACJEU-INIZCTEOSA-N 1 2 371.462 3.375 20 5 FGBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000541644954 504209821 /nfs/dbraw/zinc/20/98/21/504209821.db2.gz VHNATSKKWXCWBI-GFCCVEGCSA-N 1 2 356.386 3.273 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541773657 504250180 /nfs/dbraw/zinc/25/01/80/504250180.db2.gz HCQLPUXTCGGCGF-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C[NH+]2CCN(C)CC2)c2ccccc2)n1 ZINC000541935050 504307592 /nfs/dbraw/zinc/30/75/92/504307592.db2.gz BDEDMQFLOSSPGT-SFHVURJKSA-N 1 2 369.469 3.007 20 5 FGBDLO Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c[nH+]1 ZINC000535036670 504322076 /nfs/dbraw/zinc/32/20/76/504322076.db2.gz YTLZXKZCPXQSPJ-UHFFFAOYSA-N 1 2 357.413 3.227 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCSC[C@H]3CCO)cs2)c1 ZINC000538812589 504380514 /nfs/dbraw/zinc/38/05/14/504380514.db2.gz XGKYYMDBGCQQRA-OAHLLOKOSA-N 1 2 365.480 3.018 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCSC[C@H]3CCO)cs2)c1 ZINC000538812589 504380519 /nfs/dbraw/zinc/38/05/19/504380519.db2.gz XGKYYMDBGCQQRA-OAHLLOKOSA-N 1 2 365.480 3.018 20 5 FGBDLO Cc1ccc(Cc2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c[nH+]1 ZINC000545645534 504550816 /nfs/dbraw/zinc/55/08/16/504550816.db2.gz PIAVLJFFVSMDJT-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536013708 504608396 /nfs/dbraw/zinc/60/83/96/504608396.db2.gz JCHXDZKQKYIDCG-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cc[nH+]c(C2CC2)n1 ZINC000521062234 504640552 /nfs/dbraw/zinc/64/05/52/504640552.db2.gz AMSXCKZAZHCTQJ-UHFFFAOYSA-N 1 2 367.331 3.227 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000545931166 504643029 /nfs/dbraw/zinc/64/30/29/504643029.db2.gz CBWQHCIZRMAAHQ-AWEZNQCLSA-N 1 2 350.312 3.259 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000552926785 504789700 /nfs/dbraw/zinc/78/97/00/504789700.db2.gz YXMAAZTUMAATIJ-RHSMWYFYSA-N 1 2 356.426 3.165 20 5 FGBDLO COc1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc(OC)c1OC ZINC000559146656 504791870 /nfs/dbraw/zinc/79/18/70/504791870.db2.gz ALJLTIQYILNOGL-NSHDSACASA-N 1 2 362.382 3.177 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000549930945 504937626 /nfs/dbraw/zinc/93/76/26/504937626.db2.gz FVDLXNYIRJJODM-CQSZACIVSA-N 1 2 356.300 3.142 20 5 FGBDLO Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000556860475 504998005 /nfs/dbraw/zinc/99/80/05/504998005.db2.gz GJWDLXWQZRUFJR-SHTZXODSSA-N 1 2 354.410 3.451 20 5 FGBDLO CSc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000560190461 505015829 /nfs/dbraw/zinc/01/58/29/505015829.db2.gz VXZVLMXBICIAMN-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000560517581 505111629 /nfs/dbraw/zinc/11/16/29/505111629.db2.gz YKAWHXZIYOKBQZ-WKILWMFISA-N 1 2 354.410 3.451 20 5 FGBDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000560559704 505127107 /nfs/dbraw/zinc/12/71/07/505127107.db2.gz UIPRSYYSHSFBKS-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000563642731 505199555 /nfs/dbraw/zinc/19/95/55/505199555.db2.gz QSSORTGSXYPMLQ-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000563642731 505199559 /nfs/dbraw/zinc/19/95/59/505199559.db2.gz QSSORTGSXYPMLQ-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)nc2c1 ZINC000560952499 505215329 /nfs/dbraw/zinc/21/53/29/505215329.db2.gz GDXBVQXLXVXVBB-UHFFFAOYSA-N 1 2 350.378 3.466 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)nc2c1 ZINC000560952499 505215334 /nfs/dbraw/zinc/21/53/34/505215334.db2.gz GDXBVQXLXVXVBB-UHFFFAOYSA-N 1 2 350.378 3.466 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000563861886 505260113 /nfs/dbraw/zinc/26/01/13/505260113.db2.gz XMNFKYQNFJZMBO-IBGZPJMESA-N 1 2 357.385 3.128 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000563861886 505260115 /nfs/dbraw/zinc/26/01/15/505260115.db2.gz XMNFKYQNFJZMBO-IBGZPJMESA-N 1 2 357.385 3.128 20 5 FGBDLO Cc1ccc2c(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc(O)c2n1 ZINC000554812289 505271085 /nfs/dbraw/zinc/27/10/85/505271085.db2.gz TUXMSQURXVTFOX-UHFFFAOYSA-N 1 2 350.378 3.110 20 5 FGBDLO Cc1ccc2c(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc(O)c2n1 ZINC000554812289 505271089 /nfs/dbraw/zinc/27/10/89/505271089.db2.gz TUXMSQURXVTFOX-UHFFFAOYSA-N 1 2 350.378 3.110 20 5 FGBDLO Cc1c(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000566882817 505299260 /nfs/dbraw/zinc/29/92/60/505299260.db2.gz WTIZKVPUTNAVCQ-UHFFFAOYSA-N 1 2 364.405 3.007 20 5 FGBDLO Cc1cc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561411916 505338402 /nfs/dbraw/zinc/33/84/02/505338402.db2.gz XDZUAVXEPANADQ-MRXNPFEDSA-N 1 2 352.398 3.314 20 5 FGBDLO CCc1nc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000552048979 505382280 /nfs/dbraw/zinc/38/22/80/505382280.db2.gz GGIUHFZPIVHKKO-MRXNPFEDSA-N 1 2 357.439 3.226 20 5 FGBDLO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562072620 505510309 /nfs/dbraw/zinc/51/03/09/505510309.db2.gz VUELRXLWJZVPLQ-UHFFFAOYSA-N 1 2 373.384 3.266 20 5 FGBDLO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562072620 505510314 /nfs/dbraw/zinc/51/03/14/505510314.db2.gz VUELRXLWJZVPLQ-UHFFFAOYSA-N 1 2 373.384 3.266 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118774 506404926 /nfs/dbraw/zinc/40/49/26/506404926.db2.gz RUERDWFDICCKAZ-LKFCYVNXSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118774 506404931 /nfs/dbraw/zinc/40/49/31/506404931.db2.gz RUERDWFDICCKAZ-LKFCYVNXSA-N 1 2 359.760 3.306 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582902955 506481114 /nfs/dbraw/zinc/48/11/14/506481114.db2.gz ZBTSICYHCAWHLH-ZDUSSCGKSA-N 1 2 368.842 3.108 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582902955 506481121 /nfs/dbraw/zinc/48/11/21/506481121.db2.gz ZBTSICYHCAWHLH-ZDUSSCGKSA-N 1 2 368.842 3.108 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000596651273 506512071 /nfs/dbraw/zinc/51/20/71/506512071.db2.gz LOZJTWPNIOTKEY-RBUKOAKNSA-N 1 2 363.421 3.277 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000612346594 506537050 /nfs/dbraw/zinc/53/70/50/506537050.db2.gz KRRSDOGVRBEJQR-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000589496754 506568267 /nfs/dbraw/zinc/56/82/67/506568267.db2.gz MTSSAIIDBKVSLJ-IFXJQAMLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000589496754 506568274 /nfs/dbraw/zinc/56/82/74/506568274.db2.gz MTSSAIIDBKVSLJ-IFXJQAMLSA-N 1 2 370.405 3.343 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000612580302 506635971 /nfs/dbraw/zinc/63/59/71/506635971.db2.gz OJYMIBUCODKWHW-NRFANRHFSA-N 1 2 369.465 3.020 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000612580302 506635978 /nfs/dbraw/zinc/63/59/78/506635978.db2.gz OJYMIBUCODKWHW-NRFANRHFSA-N 1 2 369.465 3.020 20 5 FGBDLO CC(C)[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000583192389 506641422 /nfs/dbraw/zinc/64/14/22/506641422.db2.gz IQLAALZFDMPTID-HNNXBMFYSA-N 1 2 368.397 3.092 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)cn1 ZINC000600110076 506780660 /nfs/dbraw/zinc/78/06/60/506780660.db2.gz WJXUGCMDKGWYJE-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379104 506807417 /nfs/dbraw/zinc/80/74/17/506807417.db2.gz KZJDDMGMUYAYIJ-UHFFFAOYSA-N 1 2 364.361 3.309 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379104 506807423 /nfs/dbraw/zinc/80/74/23/506807423.db2.gz KZJDDMGMUYAYIJ-UHFFFAOYSA-N 1 2 364.361 3.309 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000612990940 506852108 /nfs/dbraw/zinc/85/21/08/506852108.db2.gz KCMVMVUGUPWCQQ-HMQGTJFBSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000612990940 506852115 /nfs/dbraw/zinc/85/21/15/506852115.db2.gz KCMVMVUGUPWCQQ-HMQGTJFBSA-N 1 2 374.372 3.213 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354538 506863682 /nfs/dbraw/zinc/86/36/82/506863682.db2.gz CPRCAVQTLQTYON-UHFFFAOYSA-N 1 2 355.375 3.108 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441891 506881525 /nfs/dbraw/zinc/88/15/25/506881525.db2.gz UTYZGXRQOWIMEH-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590688600 506910056 /nfs/dbraw/zinc/91/00/56/506910056.db2.gz TXOODWCYVSBQQC-ZDUSSCGKSA-N 1 2 353.382 3.190 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000597441980 506954663 /nfs/dbraw/zinc/95/46/63/506954663.db2.gz IXBIJJTXNYSVFD-MRXNPFEDSA-N 1 2 355.394 3.119 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)s1 ZINC000609995107 507064606 /nfs/dbraw/zinc/06/46/06/507064606.db2.gz CGKGEOXZVNDQRU-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO Cc1cc(N2CCO[C@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610076881 507091176 /nfs/dbraw/zinc/09/11/76/507091176.db2.gz HHVGCBOORRKTHI-ZDUSSCGKSA-N 1 2 368.315 3.128 20 5 FGBDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794355 507125484 /nfs/dbraw/zinc/12/54/84/507125484.db2.gz SWBCGABVECNRHI-HXUWFJFHSA-N 1 2 354.406 3.132 20 5 FGBDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794355 507125491 /nfs/dbraw/zinc/12/54/91/507125491.db2.gz SWBCGABVECNRHI-HXUWFJFHSA-N 1 2 354.406 3.132 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000613548332 507148761 /nfs/dbraw/zinc/14/87/61/507148761.db2.gz YBZJKWVNFINSKJ-HNNXBMFYSA-N 1 2 374.393 3.443 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000613548332 507148767 /nfs/dbraw/zinc/14/87/67/507148767.db2.gz YBZJKWVNFINSKJ-HNNXBMFYSA-N 1 2 374.393 3.443 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594520840 507169897 /nfs/dbraw/zinc/16/98/97/507169897.db2.gz PZFKAHHMIYSRBF-QZTJIDSGSA-N 1 2 370.453 3.499 20 5 FGBDLO CC(C)(C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000597940212 507188167 /nfs/dbraw/zinc/18/81/67/507188167.db2.gz FDHCEFVYSAINNC-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)c1 ZINC000584517572 507389472 /nfs/dbraw/zinc/38/94/72/507389472.db2.gz SXSMEJQFIPGOAV-UHFFFAOYSA-N 1 2 372.425 3.165 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000591850521 507392240 /nfs/dbraw/zinc/39/22/40/507392240.db2.gz HENXETJMKLIHFB-ZDUSSCGKSA-N 1 2 355.232 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000591850521 507392246 /nfs/dbraw/zinc/39/22/46/507392246.db2.gz HENXETJMKLIHFB-ZDUSSCGKSA-N 1 2 355.232 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000591850520 507392295 /nfs/dbraw/zinc/39/22/95/507392295.db2.gz HENXETJMKLIHFB-CYBMUJFWSA-N 1 2 355.232 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000591850520 507392302 /nfs/dbraw/zinc/39/23/02/507392302.db2.gz HENXETJMKLIHFB-CYBMUJFWSA-N 1 2 355.232 3.237 20 5 FGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000598366883 507393812 /nfs/dbraw/zinc/39/38/12/507393812.db2.gz NFFGMOQFKGJPLR-OPFPJEHXSA-N 1 2 360.389 3.427 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601628244 507406840 /nfs/dbraw/zinc/40/68/40/507406840.db2.gz BKSSWSSEENXUDD-UHFFFAOYSA-N 1 2 360.439 3.173 20 5 FGBDLO Cc1noc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1[N+](=O)[O-] ZINC000595301563 507455268 /nfs/dbraw/zinc/45/52/68/507455268.db2.gz GIMFEIGDTPAKAF-UHFFFAOYSA-N 1 2 369.381 3.321 20 5 FGBDLO COCCSc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595415214 507486132 /nfs/dbraw/zinc/48/61/32/507486132.db2.gz NXKLLVPWBNOLBM-LLVKDONJSA-N 1 2 351.428 3.481 20 5 FGBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000595419444 507488251 /nfs/dbraw/zinc/48/82/51/507488251.db2.gz XQRKGRFKWPRDJK-GFCCVEGCSA-N 1 2 359.304 3.387 20 5 FGBDLO Cc1noc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595440967 507499066 /nfs/dbraw/zinc/49/90/66/507499066.db2.gz HXEDRAXBOHYSJJ-MCIONIFRSA-N 1 2 365.430 3.366 20 5 FGBDLO Cc1noc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595440967 507499070 /nfs/dbraw/zinc/49/90/70/507499070.db2.gz HXEDRAXBOHYSJJ-MCIONIFRSA-N 1 2 365.430 3.366 20 5 FGBDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595455481 507508468 /nfs/dbraw/zinc/50/84/68/507508468.db2.gz QLBKKWDVALDLEV-IBGZPJMESA-N 1 2 373.409 3.032 20 5 FGBDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595455481 507508471 /nfs/dbraw/zinc/50/84/71/507508471.db2.gz QLBKKWDVALDLEV-IBGZPJMESA-N 1 2 373.409 3.032 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccccn2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611090075 507512519 /nfs/dbraw/zinc/51/25/19/507512519.db2.gz KRMXGVNPFKHIST-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO COc1ccc(F)c(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000598649282 507533168 /nfs/dbraw/zinc/53/31/68/507533168.db2.gz SVZKBZMYWNHVHF-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000602028742 507561177 /nfs/dbraw/zinc/56/11/77/507561177.db2.gz DFTSWPZFXGESQF-SFHVURJKSA-N 1 2 355.394 3.125 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000602028742 507561185 /nfs/dbraw/zinc/56/11/85/507561185.db2.gz DFTSWPZFXGESQF-SFHVURJKSA-N 1 2 355.394 3.125 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000602028741 507561796 /nfs/dbraw/zinc/56/17/96/507561796.db2.gz DFTSWPZFXGESQF-GOSISDBHSA-N 1 2 355.394 3.125 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000602028741 507561803 /nfs/dbraw/zinc/56/18/03/507561803.db2.gz DFTSWPZFXGESQF-GOSISDBHSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000592356176 507615723 /nfs/dbraw/zinc/61/57/23/507615723.db2.gz FFCLJQCRTVJJOK-UHFFFAOYSA-N 1 2 358.373 3.424 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595758300 507670827 /nfs/dbraw/zinc/67/08/27/507670827.db2.gz HSJQQXSTUCUVLF-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595758300 507670829 /nfs/dbraw/zinc/67/08/29/507670829.db2.gz HSJQQXSTUCUVLF-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO C[C@@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473618 507697989 /nfs/dbraw/zinc/69/79/89/507697989.db2.gz ZOLPRRPOICETFT-UTKZUKDTSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473618 507697994 /nfs/dbraw/zinc/69/79/94/507697994.db2.gz ZOLPRRPOICETFT-UTKZUKDTSA-N 1 2 369.465 3.273 20 5 FGBDLO CC(C)c1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000615202548 507776519 /nfs/dbraw/zinc/77/65/19/507776519.db2.gz HANRIKKEPGPAFH-UHFFFAOYSA-N 1 2 353.422 3.464 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556565 598758725 /nfs/dbraw/zinc/75/87/25/598758725.db2.gz YTOVCFCJAPSECP-GFCCVEGCSA-N 1 2 370.388 3.497 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556565 598758727 /nfs/dbraw/zinc/75/87/27/598758727.db2.gz YTOVCFCJAPSECP-GFCCVEGCSA-N 1 2 370.388 3.497 20 5 FGBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116266651 700592295 /nfs/dbraw/zinc/59/22/95/700592295.db2.gz JOEVNROBADJDQA-LLVKDONJSA-N 1 2 360.801 3.439 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000151564811 704928439 /nfs/dbraw/zinc/92/84/39/704928439.db2.gz RTSXQGFPKZXWBJ-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000151564811 704928442 /nfs/dbraw/zinc/92/84/42/704928442.db2.gz RTSXQGFPKZXWBJ-VIFPVBQESA-N 1 2 361.349 3.104 20 5 FGBDLO Cc1cnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374221831 713905957 /nfs/dbraw/zinc/90/59/57/713905957.db2.gz BGSZNEVAIUUHEZ-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374221831 713905959 /nfs/dbraw/zinc/90/59/59/713905959.db2.gz BGSZNEVAIUUHEZ-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000755011894 722949201 /nfs/dbraw/zinc/94/92/01/722949201.db2.gz MOMCNQCUUCZDOH-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490914 722516760 /nfs/dbraw/zinc/51/67/60/722516760.db2.gz VCRAXIJELCBOED-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490914 722516761 /nfs/dbraw/zinc/51/67/61/722516761.db2.gz VCRAXIJELCBOED-VBQJREDUSA-N 1 2 367.877 3.322 20 5 FGBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000746465567 722603868 /nfs/dbraw/zinc/60/38/68/722603868.db2.gz XBZRMBDFLKXAIO-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000746465567 722603869 /nfs/dbraw/zinc/60/38/69/722603869.db2.gz XBZRMBDFLKXAIO-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000761512795 723161679 /nfs/dbraw/zinc/16/16/79/723161679.db2.gz XETPHRKIPBHHBF-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000761512795 723161684 /nfs/dbraw/zinc/16/16/84/723161684.db2.gz XETPHRKIPBHHBF-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO Nc1cc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000791792484 723281515 /nfs/dbraw/zinc/28/15/15/723281515.db2.gz FEOSGAYEJIPIGH-UHFFFAOYSA-N 1 2 356.363 3.053 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796165435 723624515 /nfs/dbraw/zinc/62/45/15/723624515.db2.gz RZGPJCNEFDCXQT-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796165435 723624517 /nfs/dbraw/zinc/62/45/17/723624517.db2.gz RZGPJCNEFDCXQT-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000767914181 723639641 /nfs/dbraw/zinc/63/96/41/723639641.db2.gz MYQLZYPTUGJVJQ-AWEZNQCLSA-N 1 2 350.312 3.259 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000778950742 724376103 /nfs/dbraw/zinc/37/61/03/724376103.db2.gz DJSOVVOXSZCBEA-CQSZACIVSA-N 1 2 362.499 3.463 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813484338 726884321 /nfs/dbraw/zinc/88/43/21/726884321.db2.gz QAHZHDIBPXEEPG-UHFFFAOYSA-N 1 2 365.176 3.479 20 5 FGBDLO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815146855 727045342 /nfs/dbraw/zinc/04/53/42/727045342.db2.gz USVWCLLRKZLUIX-ZFWWWQNUSA-N 1 2 362.348 3.060 20 5 FGBDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815146855 727045347 /nfs/dbraw/zinc/04/53/47/727045347.db2.gz USVWCLLRKZLUIX-ZFWWWQNUSA-N 1 2 362.348 3.060 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000848483353 731170109 /nfs/dbraw/zinc/17/01/09/731170109.db2.gz DBNNRBQBMOVAEW-CYBMUJFWSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000848483353 731170111 /nfs/dbraw/zinc/17/01/11/731170111.db2.gz DBNNRBQBMOVAEW-CYBMUJFWSA-N 1 2 352.341 3.119 20 5 FGBDLO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000856805038 732062900 /nfs/dbraw/zinc/06/29/00/732062900.db2.gz IFHFRYAZJDWIST-GFCCVEGCSA-N 1 2 357.248 3.340 20 5 FGBDLO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000856805038 732062906 /nfs/dbraw/zinc/06/29/06/732062906.db2.gz IFHFRYAZJDWIST-GFCCVEGCSA-N 1 2 357.248 3.340 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412745 732325883 /nfs/dbraw/zinc/32/58/83/732325883.db2.gz XPZFIZGIGLCZGP-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412745 732325888 /nfs/dbraw/zinc/32/58/88/732325888.db2.gz XPZFIZGIGLCZGP-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)C1(F)F ZINC000863272711 732936513 /nfs/dbraw/zinc/93/65/13/732936513.db2.gz CQOOBAZSXQKCEO-TXEJJXNPSA-N 1 2 351.357 3.034 20 5 FGBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)C1(F)F ZINC000863272711 732936517 /nfs/dbraw/zinc/93/65/17/732936517.db2.gz CQOOBAZSXQKCEO-TXEJJXNPSA-N 1 2 351.357 3.034 20 5 FGBDLO COc1ccc(C[NH2+]Cc2nccc(C)c2Br)cc1[N+](=O)[O-] ZINC000865434641 733200107 /nfs/dbraw/zinc/20/01/07/733200107.db2.gz OLYZSCZALNYKGO-UHFFFAOYSA-N 1 2 366.215 3.359 20 5 FGBDLO CC[C@H]([NH2+]Cc1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000903317158 743836482 /nfs/dbraw/zinc/83/64/82/743836482.db2.gz AQYYIZSHGCAJEI-ZDUSSCGKSA-N 1 2 351.204 3.388 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000935678173 761919951 /nfs/dbraw/zinc/91/99/51/761919951.db2.gz WDAAKVAPMYZKTD-LBPRGKRZSA-N 1 2 360.439 3.070 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000933256299 761347089 /nfs/dbraw/zinc/34/70/89/761347089.db2.gz ZRJKPXBJUDBMEP-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000570999983 505629967 /nfs/dbraw/zinc/62/99/67/505629967.db2.gz UHAWHIAYGVFNOF-SWLSCSKDSA-N 1 2 365.430 3.022 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000576991783 505640347 /nfs/dbraw/zinc/64/03/47/505640347.db2.gz OBNQWYHREJFQEN-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000576991783 505640352 /nfs/dbraw/zinc/64/03/52/505640352.db2.gz OBNQWYHREJFQEN-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000057518283 493770031 /nfs/dbraw/zinc/77/00/31/493770031.db2.gz FRXNZKULAAVHEV-UHFFFAOYSA-N 1 2 374.466 3.488 20 5 FGBDLO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029153905 493821485 /nfs/dbraw/zinc/82/14/85/493821485.db2.gz KVPUOBUIOVJXTJ-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029153905 493821488 /nfs/dbraw/zinc/82/14/88/493821488.db2.gz KVPUOBUIOVJXTJ-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000577206177 505687418 /nfs/dbraw/zinc/68/74/18/505687418.db2.gz QNPIZRUOXJKVPS-UHFFFAOYSA-N 1 2 367.318 3.386 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000577206177 505687420 /nfs/dbraw/zinc/68/74/20/505687420.db2.gz QNPIZRUOXJKVPS-UHFFFAOYSA-N 1 2 367.318 3.386 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050486949 493918006 /nfs/dbraw/zinc/91/80/06/493918006.db2.gz FBAPHWKWZCCNRR-UHFFFAOYSA-N 1 2 367.365 3.316 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000060935331 493959553 /nfs/dbraw/zinc/95/95/53/493959553.db2.gz DTZLGRHKLHVDIF-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021056 493962728 /nfs/dbraw/zinc/96/27/28/493962728.db2.gz YLUYTGVWZFZVKF-MRXNPFEDSA-N 1 2 373.796 3.012 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021056 493962731 /nfs/dbraw/zinc/96/27/31/493962731.db2.gz YLUYTGVWZFZVKF-MRXNPFEDSA-N 1 2 373.796 3.012 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070030309 494038338 /nfs/dbraw/zinc/03/83/38/494038338.db2.gz IMUWZIOAOVTDBO-GOSISDBHSA-N 1 2 371.462 3.001 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000052690005 494054220 /nfs/dbraw/zinc/05/42/20/494054220.db2.gz GAXAPTCAFIIXHE-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000052690005 494054223 /nfs/dbraw/zinc/05/42/23/494054223.db2.gz GAXAPTCAFIIXHE-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc[nH+]c1 ZINC000052926476 494077258 /nfs/dbraw/zinc/07/72/58/494077258.db2.gz UONLMEVNHNTYET-UHFFFAOYSA-N 1 2 351.366 3.221 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000054151897 494200593 /nfs/dbraw/zinc/20/05/93/494200593.db2.gz LRJFBYNKHTXCQU-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088252120 494221986 /nfs/dbraw/zinc/22/19/86/494221986.db2.gz CJOAGRRQTQLUTF-UHFFFAOYSA-N 1 2 362.389 3.287 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607767 494253101 /nfs/dbraw/zinc/25/31/01/494253101.db2.gz ODVUQAGGIWYTRF-UHFFFAOYSA-N 1 2 371.412 3.141 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607767 494253106 /nfs/dbraw/zinc/25/31/06/494253106.db2.gz ODVUQAGGIWYTRF-UHFFFAOYSA-N 1 2 371.412 3.141 20 5 FGBDLO Cc1ccc2[nH+]c(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cn2c1 ZINC000054836215 494276227 /nfs/dbraw/zinc/27/62/27/494276227.db2.gz OMEQXWKMFHHFSP-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000072944762 494287840 /nfs/dbraw/zinc/28/78/40/494287840.db2.gz ZUFRKGYHCAKRHA-LBPRGKRZSA-N 1 2 357.414 3.075 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000055177884 494311345 /nfs/dbraw/zinc/31/13/45/494311345.db2.gz LHTMQZPOOCHNQA-UHFFFAOYSA-N 1 2 351.366 3.426 20 5 FGBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccco1 ZINC000014788916 494324677 /nfs/dbraw/zinc/32/46/77/494324677.db2.gz RZPYAJPMLIQUTL-UHFFFAOYSA-N 1 2 372.406 3.382 20 5 FGBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccco1 ZINC000014788916 494324682 /nfs/dbraw/zinc/32/46/82/494324682.db2.gz RZPYAJPMLIQUTL-UHFFFAOYSA-N 1 2 372.406 3.382 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657466 494338064 /nfs/dbraw/zinc/33/80/64/494338064.db2.gz TYKMXCRYSXIYPK-UHFFFAOYSA-N 1 2 370.405 3.404 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000017046732 494405890 /nfs/dbraw/zinc/40/58/90/494405890.db2.gz NCNJRJUFNXFAQE-NSHDSACASA-N 1 2 372.406 3.370 20 5 FGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056234695 494475470 /nfs/dbraw/zinc/47/54/70/494475470.db2.gz UZNZWHHTEFCETI-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599510 494540164 /nfs/dbraw/zinc/54/01/64/494540164.db2.gz CAHBAHBOAIDGMU-LSDHHAIUSA-N 1 2 371.437 3.301 20 5 FGBDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599510 494540167 /nfs/dbraw/zinc/54/01/67/494540167.db2.gz CAHBAHBOAIDGMU-LSDHHAIUSA-N 1 2 371.437 3.301 20 5 FGBDLO COc1ccc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000022995810 494545786 /nfs/dbraw/zinc/54/57/86/494545786.db2.gz KPPGKFNTUPAYRY-UHFFFAOYSA-N 1 2 355.438 3.311 20 5 FGBDLO COc1ccc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000022995810 494545788 /nfs/dbraw/zinc/54/57/88/494545788.db2.gz KPPGKFNTUPAYRY-UHFFFAOYSA-N 1 2 355.438 3.311 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000574252914 505731368 /nfs/dbraw/zinc/73/13/68/505731368.db2.gz LHBHKOHHKQVEKP-LJQANCHMSA-N 1 2 364.442 3.152 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000574252914 505731372 /nfs/dbraw/zinc/73/13/72/505731372.db2.gz LHBHKOHHKQVEKP-LJQANCHMSA-N 1 2 364.442 3.152 20 5 FGBDLO C[N@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000107681547 494583132 /nfs/dbraw/zinc/58/31/32/494583132.db2.gz VGIQWUSZMJTLGZ-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000107681547 494583138 /nfs/dbraw/zinc/58/31/38/494583138.db2.gz VGIQWUSZMJTLGZ-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000057128053 494649483 /nfs/dbraw/zinc/64/94/83/494649483.db2.gz QFNHVDFSEJNLLH-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1ccn2cc(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000057255159 494694266 /nfs/dbraw/zinc/69/42/66/494694266.db2.gz RUIQBMJTWNEAFA-UHFFFAOYSA-N 1 2 367.409 3.059 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091892609 494713980 /nfs/dbraw/zinc/71/39/80/494713980.db2.gz GCOXGNMRHZXJRM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091892609 494713987 /nfs/dbraw/zinc/71/39/87/494713987.db2.gz GCOXGNMRHZXJRM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000116601811 494823620 /nfs/dbraw/zinc/82/36/20/494823620.db2.gz ISNZDLXJDIYNOV-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000121703510 494842134 /nfs/dbraw/zinc/84/21/34/494842134.db2.gz ZCIRADQTVJIOOW-HNNXBMFYSA-N 1 2 368.842 3.124 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000116896458 494868360 /nfs/dbraw/zinc/86/83/60/494868360.db2.gz KLUSJXNTIIHMPO-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000116896458 494868363 /nfs/dbraw/zinc/86/83/63/494868363.db2.gz KLUSJXNTIIHMPO-QGZVFWFLSA-N 1 2 373.409 3.207 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758461 494915293 /nfs/dbraw/zinc/91/52/93/494915293.db2.gz KGOAWRXYUOBWHW-ZFWWWQNUSA-N 1 2 362.348 3.270 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758461 494915297 /nfs/dbraw/zinc/91/52/97/494915297.db2.gz KGOAWRXYUOBWHW-ZFWWWQNUSA-N 1 2 362.348 3.270 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000118779099 495034314 /nfs/dbraw/zinc/03/43/14/495034314.db2.gz JEJJWQMPUWTVIR-UHFFFAOYSA-N 1 2 370.796 3.293 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111274469 495057110 /nfs/dbraw/zinc/05/71/10/495057110.db2.gz LITPTXJNMWGLJF-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111274469 495057114 /nfs/dbraw/zinc/05/71/14/495057114.db2.gz LITPTXJNMWGLJF-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO CCC1(CO)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000128198866 495060509 /nfs/dbraw/zinc/06/05/09/495060509.db2.gz NVNUXAYVGGNMKN-GFCCVEGCSA-N 1 2 369.849 3.060 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000128682818 495135215 /nfs/dbraw/zinc/13/52/15/495135215.db2.gz QLZSXVBGMVTGCB-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO Cn1cnnc1C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000119399868 495159318 /nfs/dbraw/zinc/15/93/18/495159318.db2.gz GHCIGMQMMVOKAP-UHFFFAOYSA-N 1 2 373.800 3.459 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103964083 495262652 /nfs/dbraw/zinc/26/26/52/495262652.db2.gz WPUQFFPKJUTBFB-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129610320 495270394 /nfs/dbraw/zinc/27/03/94/495270394.db2.gz SCPWTYKPXIHYDJ-CYBMUJFWSA-N 1 2 361.398 3.064 20 5 FGBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129610320 495270396 /nfs/dbraw/zinc/27/03/96/495270396.db2.gz SCPWTYKPXIHYDJ-CYBMUJFWSA-N 1 2 361.398 3.064 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000124508344 495298941 /nfs/dbraw/zinc/29/89/41/495298941.db2.gz YANVSSOVKMFYRJ-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000129875911 495309317 /nfs/dbraw/zinc/30/93/17/495309317.db2.gz OMAOQUGUTAOXCT-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120712911 495441366 /nfs/dbraw/zinc/44/13/66/495441366.db2.gz NKJSAHLUFPSAJX-GFCCVEGCSA-N 1 2 362.817 3.077 20 5 FGBDLO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(C)noc1C ZINC000182502947 495589339 /nfs/dbraw/zinc/58/93/39/495589339.db2.gz UOSBEUSHMPGHQK-AWEZNQCLSA-N 1 2 357.370 3.491 20 5 FGBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000170775619 495600811 /nfs/dbraw/zinc/60/08/11/495600811.db2.gz SZUZYAZDCNNAPZ-UHFFFAOYSA-N 1 2 363.439 3.261 20 5 FGBDLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000170895674 495644601 /nfs/dbraw/zinc/64/46/01/495644601.db2.gz ICVXWGSTTLPUII-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1sc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000176476285 495663753 /nfs/dbraw/zinc/66/37/53/495663753.db2.gz XHEDGNOWOWGBRN-UHFFFAOYSA-N 1 2 370.434 3.334 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000182873659 495735962 /nfs/dbraw/zinc/73/59/62/495735962.db2.gz CDGNHPBIJMTQPZ-SFHVURJKSA-N 1 2 368.437 3.260 20 5 FGBDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159598652 495766403 /nfs/dbraw/zinc/76/64/03/495766403.db2.gz YLVDWBPVHZISHV-HJPURHCSSA-N 1 2 352.843 3.458 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159594588 495766626 /nfs/dbraw/zinc/76/66/26/495766626.db2.gz SCECBVNTHNUSDA-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159594588 495766632 /nfs/dbraw/zinc/76/66/32/495766632.db2.gz SCECBVNTHNUSDA-HXUWFJFHSA-N 1 2 354.406 3.277 20 5 FGBDLO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182992129 495788680 /nfs/dbraw/zinc/78/86/80/495788680.db2.gz WKHXPRJNZMBTOG-UHFFFAOYSA-N 1 2 366.425 3.040 20 5 FGBDLO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182992129 495788684 /nfs/dbraw/zinc/78/86/84/495788684.db2.gz WKHXPRJNZMBTOG-UHFFFAOYSA-N 1 2 366.425 3.040 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000183253999 495900593 /nfs/dbraw/zinc/90/05/93/495900593.db2.gz VLOSBWUOWLXWQG-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180453899 496002103 /nfs/dbraw/zinc/00/21/03/496002103.db2.gz ZFBDCMHRJXBGKZ-AWEZNQCLSA-N 1 2 352.398 3.038 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156064611 496147962 /nfs/dbraw/zinc/14/79/62/496147962.db2.gz SOCHERYJROLOBC-UHFFFAOYSA-N 1 2 353.382 3.383 20 5 FGBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000152448392 496154693 /nfs/dbraw/zinc/15/46/93/496154693.db2.gz PMTIXQMFOVPZOG-LBPRGKRZSA-N 1 2 360.801 3.042 20 5 FGBDLO CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000172566666 496343363 /nfs/dbraw/zinc/34/33/63/496343363.db2.gz HSCQCLDUAZZUCH-IRXDYDNUSA-N 1 2 372.425 3.056 20 5 FGBDLO COc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000153152489 496368443 /nfs/dbraw/zinc/36/84/43/496368443.db2.gz GCAIWXGXZMHNLO-CQSZACIVSA-N 1 2 371.393 3.010 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184470039 496397318 /nfs/dbraw/zinc/39/73/18/496397318.db2.gz DUELAESSSBZTEA-ZDUSSCGKSA-N 1 2 368.405 3.296 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184470039 496397328 /nfs/dbraw/zinc/39/73/28/496397328.db2.gz DUELAESSSBZTEA-ZDUSSCGKSA-N 1 2 368.405 3.296 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184477713 496402394 /nfs/dbraw/zinc/40/23/94/496402394.db2.gz DJKHILSRLNKVBH-JTQLQIEISA-N 1 2 362.455 3.299 20 5 FGBDLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000172865185 496466001 /nfs/dbraw/zinc/46/60/01/496466001.db2.gz UMJAFYMBTQMTAC-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000172865185 496466002 /nfs/dbraw/zinc/46/60/02/496466002.db2.gz UMJAFYMBTQMTAC-WDEREUQCSA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000173110049 496553864 /nfs/dbraw/zinc/55/38/64/496553864.db2.gz GNTYUOSNGMVGMQ-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(N)c2c1C ZINC000181811073 496554735 /nfs/dbraw/zinc/55/47/35/496554735.db2.gz SCOXEWTUROQUFG-LLVKDONJSA-N 1 2 355.398 3.489 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000178772982 496565073 /nfs/dbraw/zinc/56/50/73/496565073.db2.gz RJOQFTWWGPPKGB-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000173208040 496593059 /nfs/dbraw/zinc/59/30/59/496593059.db2.gz MZCQNZXUFGISBV-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000173208040 496593065 /nfs/dbraw/zinc/59/30/65/496593065.db2.gz MZCQNZXUFGISBV-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000158025972 496611418 /nfs/dbraw/zinc/61/14/18/496611418.db2.gz KFALXXIHWUICDO-GUYCJALGSA-N 1 2 365.393 3.063 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1n1cc[nH+]c1 ZINC000158026098 496611841 /nfs/dbraw/zinc/61/18/41/496611841.db2.gz KFALXXIHWUICDO-CXAGYDPISA-N 1 2 365.393 3.063 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)c1C ZINC000165277918 496653863 /nfs/dbraw/zinc/65/38/63/496653863.db2.gz NAYUJIWBZCIJDL-UHFFFAOYSA-N 1 2 355.803 3.369 20 5 FGBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000185109436 496664065 /nfs/dbraw/zinc/66/40/65/496664065.db2.gz GSLKNBCSDOMRMP-SNVBAGLBSA-N 1 2 354.819 3.384 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000185116561 496666514 /nfs/dbraw/zinc/66/65/14/496666514.db2.gz YZEVNXOYROYPKJ-HNNXBMFYSA-N 1 2 361.442 3.029 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000188208681 496716711 /nfs/dbraw/zinc/71/67/11/496716711.db2.gz YIQDOSBRUYVWIB-TZMCWYRMSA-N 1 2 360.439 3.237 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000277616601 496830071 /nfs/dbraw/zinc/83/00/71/496830071.db2.gz REVLNXMXKDYXGS-UHFFFAOYSA-N 1 2 358.442 3.225 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000195342549 496896611 /nfs/dbraw/zinc/89/66/11/496896611.db2.gz XUFQRALHPILAIQ-UHFFFAOYSA-N 1 2 354.414 3.380 20 5 FGBDLO Cc1cc(C)c(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000191902841 496925194 /nfs/dbraw/zinc/92/51/94/496925194.db2.gz MAWBOOKTNYMQGP-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278110801 497008375 /nfs/dbraw/zinc/00/83/75/497008375.db2.gz PTWRFQHFJDMWPO-JINBKUQRSA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278110801 497008377 /nfs/dbraw/zinc/00/83/77/497008377.db2.gz PTWRFQHFJDMWPO-JINBKUQRSA-N 1 2 370.409 3.464 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000248615542 497058246 /nfs/dbraw/zinc/05/82/46/497058246.db2.gz KCQTYUMCRICEBR-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000248615542 497058248 /nfs/dbraw/zinc/05/82/48/497058248.db2.gz KCQTYUMCRICEBR-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000278489665 497132003 /nfs/dbraw/zinc/13/20/03/497132003.db2.gz WDNYPTVLYNZRBU-LLVKDONJSA-N 1 2 367.331 3.342 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3C)n2)c1 ZINC000278873824 497250544 /nfs/dbraw/zinc/25/05/44/497250544.db2.gz YULSYJFKGHHXTA-ZDUSSCGKSA-N 1 2 352.398 3.243 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000193243137 497332386 /nfs/dbraw/zinc/33/23/86/497332386.db2.gz PRVFTRALVDHHET-UHFFFAOYSA-N 1 2 369.381 3.083 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000255459449 497367685 /nfs/dbraw/zinc/36/76/85/497367685.db2.gz KATXVNYLCQNCTK-POHAHGRESA-N 1 2 361.405 3.382 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000255459449 497367688 /nfs/dbraw/zinc/36/76/88/497367688.db2.gz KATXVNYLCQNCTK-POHAHGRESA-N 1 2 361.405 3.382 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276312857 497542370 /nfs/dbraw/zinc/54/23/70/497542370.db2.gz MRCWPPFKNYFZII-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276312857 497542376 /nfs/dbraw/zinc/54/23/76/497542376.db2.gz MRCWPPFKNYFZII-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000267612728 497587980 /nfs/dbraw/zinc/58/79/80/497587980.db2.gz HYXGIEYTIMXTFI-LLVKDONJSA-N 1 2 351.428 3.447 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338330 497600355 /nfs/dbraw/zinc/60/03/55/497600355.db2.gz YCMZHSJIUKYOLW-GXTWGEPZSA-N 1 2 372.368 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338330 497600357 /nfs/dbraw/zinc/60/03/57/497600357.db2.gz YCMZHSJIUKYOLW-GXTWGEPZSA-N 1 2 372.368 3.001 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ncnn1C ZINC000276729983 497638985 /nfs/dbraw/zinc/63/89/85/497638985.db2.gz QNYKTTHXOVJXDJ-JTQLQIEISA-N 1 2 361.789 3.488 20 5 FGBDLO Cc1ccc(OCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272496178 497643787 /nfs/dbraw/zinc/64/37/87/497643787.db2.gz FYYPVAGBYNWNKX-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272552915 497660703 /nfs/dbraw/zinc/66/07/03/497660703.db2.gz RSBBNHDOFJRJMO-RBUKOAKNSA-N 1 2 366.421 3.395 20 5 FGBDLO CC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000280494759 497771936 /nfs/dbraw/zinc/77/19/36/497771936.db2.gz OUDXBUYEKRCAAB-HNNXBMFYSA-N 1 2 369.425 3.031 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000296028695 497896453 /nfs/dbraw/zinc/89/64/53/497896453.db2.gz NYDMUJKZBRBNLQ-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000364500457 497988529 /nfs/dbraw/zinc/98/85/29/497988529.db2.gz CZUCVAMQMXSEDW-LBPRGKRZSA-N 1 2 356.407 3.059 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281327417 498107921 /nfs/dbraw/zinc/10/79/21/498107921.db2.gz JDFRQSRXBUUTAH-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281327417 498107922 /nfs/dbraw/zinc/10/79/22/498107922.db2.gz JDFRQSRXBUUTAH-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000301438328 498110977 /nfs/dbraw/zinc/11/09/77/498110977.db2.gz LBVVTSSLYIOYPF-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438286 498147217 /nfs/dbraw/zinc/14/72/17/498147217.db2.gz DNGNHSAUVFIVQI-WBAXXEDZSA-N 1 2 373.453 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438286 498147225 /nfs/dbraw/zinc/14/72/25/498147225.db2.gz DNGNHSAUVFIVQI-WBAXXEDZSA-N 1 2 373.453 3.264 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281455605 498158399 /nfs/dbraw/zinc/15/83/99/498158399.db2.gz QVCGFMMMUONRJN-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281455605 498158402 /nfs/dbraw/zinc/15/84/02/498158402.db2.gz QVCGFMMMUONRJN-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330679940 498172780 /nfs/dbraw/zinc/17/27/80/498172780.db2.gz DYYDJZXJEAATCB-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330679940 498172782 /nfs/dbraw/zinc/17/27/82/498172782.db2.gz DYYDJZXJEAATCB-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330813564 498198355 /nfs/dbraw/zinc/19/83/55/498198355.db2.gz KZPSVLADKAKWSG-OAHLLOKOSA-N 1 2 362.348 3.271 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330813564 498198361 /nfs/dbraw/zinc/19/83/61/498198361.db2.gz KZPSVLADKAKWSG-OAHLLOKOSA-N 1 2 362.348 3.271 20 5 FGBDLO Cc1cc(N(C)CCc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301775556 498259081 /nfs/dbraw/zinc/25/90/81/498259081.db2.gz NTOVVHNQQFZTTJ-UHFFFAOYSA-N 1 2 355.423 3.496 20 5 FGBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000302206347 498443485 /nfs/dbraw/zinc/44/34/85/498443485.db2.gz WMIJYNOHIQPXIC-CYBMUJFWSA-N 1 2 362.455 3.333 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297595738 498506205 /nfs/dbraw/zinc/50/62/05/498506205.db2.gz NCAGLSYPFQITTK-ZQIUZPCESA-N 1 2 357.414 3.145 20 5 FGBDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365806736 498648671 /nfs/dbraw/zinc/64/86/71/498648671.db2.gz QXVQCYZORNODBX-HNNXBMFYSA-N 1 2 359.338 3.125 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363242286 498722483 /nfs/dbraw/zinc/72/24/83/498722483.db2.gz HYWAAJLSJOHNFG-INIZCTEOSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363242286 498722488 /nfs/dbraw/zinc/72/24/88/498722488.db2.gz HYWAAJLSJOHNFG-INIZCTEOSA-N 1 2 359.430 3.058 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c[nH+]1 ZINC000294549824 498726783 /nfs/dbraw/zinc/72/67/83/498726783.db2.gz YJFIQVAURYQMEW-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010117 498756123 /nfs/dbraw/zinc/75/61/23/498756123.db2.gz WSZAKUFCTPQZNT-QAPCUYQASA-N 1 2 362.426 3.146 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010117 498756129 /nfs/dbraw/zinc/75/61/29/498756129.db2.gz WSZAKUFCTPQZNT-QAPCUYQASA-N 1 2 362.426 3.146 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363356080 498777635 /nfs/dbraw/zinc/77/76/35/498777635.db2.gz KNDBDJMAHAEUFF-UHFFFAOYSA-N 1 2 363.458 3.074 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363356080 498777640 /nfs/dbraw/zinc/77/76/40/498777640.db2.gz KNDBDJMAHAEUFF-UHFFFAOYSA-N 1 2 363.458 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000295132952 498920700 /nfs/dbraw/zinc/92/07/00/498920700.db2.gz CPWGEVHLHPDONK-UHFFFAOYSA-N 1 2 360.345 3.359 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000366494008 498951692 /nfs/dbraw/zinc/95/16/92/498951692.db2.gz PISRIKRVGVXDQF-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000366494008 498951699 /nfs/dbraw/zinc/95/16/99/498951699.db2.gz PISRIKRVGVXDQF-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295538882 499045765 /nfs/dbraw/zinc/04/57/65/499045765.db2.gz RBVUCEVHXRVVRD-WCQYABFASA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295538882 499045773 /nfs/dbraw/zinc/04/57/73/499045773.db2.gz RBVUCEVHXRVVRD-WCQYABFASA-N 1 2 369.849 3.058 20 5 FGBDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1[N+](=O)[O-] ZINC000291740779 499053095 /nfs/dbraw/zinc/05/30/95/499053095.db2.gz OWZQIVRXPHADAV-UHFFFAOYSA-N 1 2 373.365 3.394 20 5 FGBDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000284131554 499055317 /nfs/dbraw/zinc/05/53/17/499055317.db2.gz OGHQYADDOJONTA-NSHDSACASA-N 1 2 361.354 3.371 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000284340991 499092382 /nfs/dbraw/zinc/09/23/82/499092382.db2.gz CFPFCBCCEUPZBJ-HIFRSBDPSA-N 1 2 372.252 3.073 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000284340991 499092387 /nfs/dbraw/zinc/09/23/87/499092387.db2.gz CFPFCBCCEUPZBJ-HIFRSBDPSA-N 1 2 372.252 3.073 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364046967 499098363 /nfs/dbraw/zinc/09/83/63/499098363.db2.gz HNXOIQTYIRHLOU-CVEARBPZSA-N 1 2 356.426 3.293 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000364122553 499119682 /nfs/dbraw/zinc/11/96/82/499119682.db2.gz UINQJPHNTQUFOD-UHFFFAOYSA-N 1 2 369.425 3.431 20 5 FGBDLO CCc1cc([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000367442176 499199292 /nfs/dbraw/zinc/19/92/92/499199292.db2.gz DYZLIMKRFJVCEJ-INIZCTEOSA-N 1 2 364.833 3.484 20 5 FGBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370868129 499264447 /nfs/dbraw/zinc/26/44/47/499264447.db2.gz DXXABOJZTYICDS-CYBMUJFWSA-N 1 2 374.445 3.068 20 5 FGBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370868129 499264449 /nfs/dbraw/zinc/26/44/49/499264449.db2.gz DXXABOJZTYICDS-CYBMUJFWSA-N 1 2 374.445 3.068 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370965394 499275805 /nfs/dbraw/zinc/27/58/05/499275805.db2.gz NLGURPLGFPGODB-ZBFHGGJFSA-N 1 2 371.441 3.346 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000369013133 499357228 /nfs/dbraw/zinc/35/72/28/499357228.db2.gz YJKCYRRKHNENDU-OAHLLOKOSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000369013133 499357230 /nfs/dbraw/zinc/35/72/30/499357230.db2.gz YJKCYRRKHNENDU-OAHLLOKOSA-N 1 2 369.381 3.321 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)c1 ZINC000369018238 499357885 /nfs/dbraw/zinc/35/78/85/499357885.db2.gz KTGSTXOSDPWYCG-ZDUSSCGKSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)c1 ZINC000369018238 499357886 /nfs/dbraw/zinc/35/78/86/499357886.db2.gz KTGSTXOSDPWYCG-ZDUSSCGKSA-N 1 2 359.411 3.345 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000372177106 499406022 /nfs/dbraw/zinc/40/60/22/499406022.db2.gz ZQASJVPXWKNQAW-MRXNPFEDSA-N 1 2 357.801 3.256 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000378388751 499510804 /nfs/dbraw/zinc/51/08/04/499510804.db2.gz KAPUVWYTSGOGBV-UHFFFAOYSA-N 1 2 372.331 3.204 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC2(CCC2)CC1 ZINC000412468969 499856608 /nfs/dbraw/zinc/85/66/08/499856608.db2.gz WNZDSLOXPPHADP-UHFFFAOYSA-N 1 2 372.450 3.282 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000412697269 499877042 /nfs/dbraw/zinc/87/70/42/499877042.db2.gz LODCAGCHDSTTBU-CYBMUJFWSA-N 1 2 359.451 3.311 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000412697269 499877043 /nfs/dbraw/zinc/87/70/43/499877043.db2.gz LODCAGCHDSTTBU-CYBMUJFWSA-N 1 2 359.451 3.311 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCCN(c4ncccn4)C3)c2c1 ZINC000413085352 499911722 /nfs/dbraw/zinc/91/17/22/499911722.db2.gz VUXXYEKEINENME-AWEZNQCLSA-N 1 2 350.382 3.014 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413226678 499929538 /nfs/dbraw/zinc/92/95/38/499929538.db2.gz HJMRSEJYWSFJTE-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=c1[nH]cnc2cc(NCc3cccc(-c4[nH]cc[nH+]4)c3)c([N+](=O)[O-])cc21 ZINC000570427068 506165609 /nfs/dbraw/zinc/16/56/09/506165609.db2.gz IBXMRTSTJHJUBR-UHFFFAOYSA-N 1 2 362.349 3.246 20 5 FGBDLO O=C1CCCN1[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413579218 499996237 /nfs/dbraw/zinc/99/62/37/499996237.db2.gz ZWWJACZICWLUOU-HNNXBMFYSA-N 1 2 354.410 3.124 20 5 FGBDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458859 500112182 /nfs/dbraw/zinc/11/21/82/500112182.db2.gz NNTQSGZAABTFHE-JTQLQIEISA-N 1 2 353.220 3.284 20 5 FGBDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458859 500112184 /nfs/dbraw/zinc/11/21/84/500112184.db2.gz NNTQSGZAABTFHE-JTQLQIEISA-N 1 2 353.220 3.284 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425510587 500128774 /nfs/dbraw/zinc/12/87/74/500128774.db2.gz MXCPJXFYLFGKET-GTTSAUCSSA-N 1 2 362.332 3.458 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425510587 500128776 /nfs/dbraw/zinc/12/87/76/500128776.db2.gz MXCPJXFYLFGKET-GTTSAUCSSA-N 1 2 362.332 3.458 20 5 FGBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH2+]1 ZINC000421898376 500171899 /nfs/dbraw/zinc/17/18/99/500171899.db2.gz ZTTLAOHQLXXLJV-QGZVFWFLSA-N 1 2 369.421 3.007 20 5 FGBDLO Cc1cc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000430147743 500200037 /nfs/dbraw/zinc/20/00/37/500200037.db2.gz JXVHVYHYJNJCGQ-UHFFFAOYSA-N 1 2 352.350 3.106 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423717658 500397054 /nfs/dbraw/zinc/39/70/54/500397054.db2.gz ALTUVTUNXBWEKP-UHFFFAOYSA-N 1 2 355.394 3.095 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428352986 500499748 /nfs/dbraw/zinc/49/97/48/500499748.db2.gz RZYIMWSOSIYTIF-LBPRGKRZSA-N 1 2 360.439 3.038 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432998117 500603775 /nfs/dbraw/zinc/60/37/75/500603775.db2.gz ZWPAPBBTEVVQJY-VIFPVBQESA-N 1 2 367.203 3.007 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000447729051 500654840 /nfs/dbraw/zinc/65/48/40/500654840.db2.gz MZHBZFPHIUMNKL-SECBINFHSA-N 1 2 373.360 3.152 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000447729051 500654842 /nfs/dbraw/zinc/65/48/42/500654842.db2.gz MZHBZFPHIUMNKL-SECBINFHSA-N 1 2 373.360 3.152 20 5 FGBDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433272222 500658691 /nfs/dbraw/zinc/65/86/91/500658691.db2.gz VZAVLKFHRWLRHO-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433272222 500658693 /nfs/dbraw/zinc/65/86/93/500658693.db2.gz VZAVLKFHRWLRHO-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCCC(F)(F)C1 ZINC000447809727 500667393 /nfs/dbraw/zinc/66/73/93/500667393.db2.gz CENYAAUEYNEMNJ-CQSZACIVSA-N 1 2 355.385 3.417 20 5 FGBDLO CCO[C@@H](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000447810649 500667787 /nfs/dbraw/zinc/66/77/87/500667787.db2.gz KNBMEXQKNQINFU-IBGZPJMESA-N 1 2 365.474 3.290 20 5 FGBDLO COc1cc(C)ccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816188 500668856 /nfs/dbraw/zinc/66/88/56/500668856.db2.gz JFPYAEMVHLLNDG-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO C[C@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCS1 ZINC000447817831 500669718 /nfs/dbraw/zinc/66/97/18/500669718.db2.gz SMZQGGUKVNOHBY-QGZVFWFLSA-N 1 2 351.472 3.125 20 5 FGBDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000438305857 500766773 /nfs/dbraw/zinc/76/67/73/500766773.db2.gz OKCDEFOBNCEHOW-QGZVFWFLSA-N 1 2 362.813 3.165 20 5 FGBDLO CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448930075 500871934 /nfs/dbraw/zinc/87/19/34/500871934.db2.gz PBVOWDNBCUJDKK-INIZCTEOSA-N 1 2 372.425 3.202 20 5 FGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000444781405 500899071 /nfs/dbraw/zinc/89/90/71/500899071.db2.gz AMZWUBKSYHWDNB-SFHVURJKSA-N 1 2 350.415 3.301 20 5 FGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000444781405 500899075 /nfs/dbraw/zinc/89/90/75/500899075.db2.gz AMZWUBKSYHWDNB-SFHVURJKSA-N 1 2 350.415 3.301 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440488834 501014307 /nfs/dbraw/zinc/01/43/07/501014307.db2.gz RWUZOEUGDOHRMN-AWEZNQCLSA-N 1 2 371.441 3.276 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440488834 501014315 /nfs/dbraw/zinc/01/43/15/501014315.db2.gz RWUZOEUGDOHRMN-AWEZNQCLSA-N 1 2 371.441 3.276 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214494 501104216 /nfs/dbraw/zinc/10/42/16/501104216.db2.gz YPXONUSOWNDISV-QRWLVFNGSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441214494 501104218 /nfs/dbraw/zinc/10/42/18/501104218.db2.gz YPXONUSOWNDISV-QRWLVFNGSA-N 1 2 372.421 3.444 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCC1(F)F ZINC000450735662 501196722 /nfs/dbraw/zinc/19/67/22/501196722.db2.gz GGGPXSSJTFHBMG-AWEZNQCLSA-N 1 2 355.385 3.274 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436868022 501224643 /nfs/dbraw/zinc/22/46/43/501224643.db2.gz GEUUJYOHIRYNGZ-LBPRGKRZSA-N 1 2 366.377 3.286 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000451103646 501245969 /nfs/dbraw/zinc/24/59/69/501245969.db2.gz ISCKZQPPAJVLOD-LBPRGKRZSA-N 1 2 363.439 3.396 20 5 FGBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602650047 506245682 /nfs/dbraw/zinc/24/56/82/506245682.db2.gz DATJBOJKGFJHSU-UHFFFAOYSA-N 1 2 374.264 3.055 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901899 501396431 /nfs/dbraw/zinc/39/64/31/501396431.db2.gz NPLBDRXEIUUKDA-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901899 501396433 /nfs/dbraw/zinc/39/64/33/501396433.db2.gz NPLBDRXEIUUKDA-PXAZEXFGSA-N 1 2 367.833 3.078 20 5 FGBDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000602658502 506250671 /nfs/dbraw/zinc/25/06/71/506250671.db2.gz ZTIUEBLPMONKAM-UHFFFAOYSA-N 1 2 358.272 3.283 20 5 FGBDLO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000456123148 501459103 /nfs/dbraw/zinc/45/91/03/501459103.db2.gz PSRKFGNROHMTRZ-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000456123148 501459107 /nfs/dbraw/zinc/45/91/07/501459107.db2.gz PSRKFGNROHMTRZ-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456417022 501521642 /nfs/dbraw/zinc/52/16/42/501521642.db2.gz KENFBAOYBMZDDC-MWLCHTKSSA-N 1 2 366.830 3.359 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459351914 501637460 /nfs/dbraw/zinc/63/74/60/501637460.db2.gz UYPOPEJKATULEX-UHFFFAOYSA-N 1 2 365.433 3.430 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000481514596 501796997 /nfs/dbraw/zinc/79/69/97/501796997.db2.gz IUDVOZKZRNEHIM-HNNXBMFYSA-N 1 2 360.357 3.062 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000481514596 501797005 /nfs/dbraw/zinc/79/70/05/501797005.db2.gz IUDVOZKZRNEHIM-HNNXBMFYSA-N 1 2 360.357 3.062 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)nc1-c1ccc(F)cc1 ZINC000485393948 501807229 /nfs/dbraw/zinc/80/72/29/501807229.db2.gz DUACLMCAGLIPHW-UHFFFAOYSA-N 1 2 363.352 3.478 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000481801406 501888383 /nfs/dbraw/zinc/88/83/83/501888383.db2.gz OFPJQNDISHWFEN-UHFFFAOYSA-N 1 2 368.397 3.244 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000468043083 501938639 /nfs/dbraw/zinc/93/86/39/501938639.db2.gz QVTAEOXVJIDCGI-UHFFFAOYSA-N 1 2 359.773 3.443 20 5 FGBDLO COC(=O)c1cc(NCc2cccc(-n3cc[nH+]c3)c2)cc(C)c1[N+](=O)[O-] ZINC000474771504 501947937 /nfs/dbraw/zinc/94/79/37/501947937.db2.gz CRCJTZVDGFXQPN-UHFFFAOYSA-N 1 2 366.377 3.488 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000461209987 502040218 /nfs/dbraw/zinc/04/02/18/502040218.db2.gz YWIMGKDPEPQBKW-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691271 502065685 /nfs/dbraw/zinc/06/56/85/502065685.db2.gz OMCUEFBAGPIEKR-FZMZJTMJSA-N 1 2 366.311 3.020 20 5 FGBDLO COc1cc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691271 502065689 /nfs/dbraw/zinc/06/56/89/502065689.db2.gz OMCUEFBAGPIEKR-FZMZJTMJSA-N 1 2 366.311 3.020 20 5 FGBDLO COCCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000471730376 502121656 /nfs/dbraw/zinc/12/16/56/502121656.db2.gz VHENRPZWZVZYLM-UHFFFAOYSA-N 1 2 356.426 3.401 20 5 FGBDLO CCc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000471918660 502172011 /nfs/dbraw/zinc/17/20/11/502172011.db2.gz KHXZEEQXKVQGHN-UHFFFAOYSA-N 1 2 350.378 3.273 20 5 FGBDLO COC(=O)c1c(Cl)c(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000596185766 506298871 /nfs/dbraw/zinc/29/88/71/506298871.db2.gz PZOOLADJRZXKIO-UHFFFAOYSA-N 1 2 352.778 3.124 20 5 FGBDLO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000461772454 502197080 /nfs/dbraw/zinc/19/70/80/502197080.db2.gz CQMHWMQUXFJBKG-CYBMUJFWSA-N 1 2 360.389 3.275 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)cn1 ZINC000479387690 502243031 /nfs/dbraw/zinc/24/30/31/502243031.db2.gz FIDFXZMONNWAKJ-SFHVURJKSA-N 1 2 358.348 3.486 20 5 FGBDLO Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000483400552 502374940 /nfs/dbraw/zinc/37/49/40/502374940.db2.gz KTOGZWLUZWSZMC-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccn(C(F)F)n2)cc(C(F)(F)F)c1 ZINC000487198038 502388452 /nfs/dbraw/zinc/38/84/52/502388452.db2.gz JYZCUPDIJJKCFA-UHFFFAOYSA-N 1 2 350.247 3.495 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000476557987 502524072 /nfs/dbraw/zinc/52/40/72/502524072.db2.gz DDTHSSYGLWJETA-STQMWFEESA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000476557987 502524076 /nfs/dbraw/zinc/52/40/76/502524076.db2.gz DDTHSSYGLWJETA-STQMWFEESA-N 1 2 356.426 3.424 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000487951631 502576841 /nfs/dbraw/zinc/57/68/41/502576841.db2.gz PHSAPIMRTZALHI-UHFFFAOYSA-N 1 2 358.785 3.443 20 5 FGBDLO COc1ccc(F)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000484302438 502618939 /nfs/dbraw/zinc/61/89/39/502618939.db2.gz XGEKRFRVKWESHI-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470109347 502664390 /nfs/dbraw/zinc/66/43/90/502664390.db2.gz ABNJKHUDKSNSLA-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477058295 502665048 /nfs/dbraw/zinc/66/50/48/502665048.db2.gz PMFDFUKXQUUSCM-KRWDZBQOSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477058295 502665052 /nfs/dbraw/zinc/66/50/52/502665052.db2.gz PMFDFUKXQUUSCM-KRWDZBQOSA-N 1 2 367.833 3.079 20 5 FGBDLO CCC[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OCC ZINC000599118501 506329890 /nfs/dbraw/zinc/32/98/90/506329890.db2.gz HZTDCEYTUMENIX-MRXNPFEDSA-N 1 2 351.447 3.044 20 5 FGBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000512973856 502824423 /nfs/dbraw/zinc/82/44/23/502824423.db2.gz QJAULDHVNSIKJT-UHFFFAOYSA-N 1 2 364.405 3.154 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898859 502888662 /nfs/dbraw/zinc/88/86/62/502888662.db2.gz MZBPCMJWGMPZMV-DRDHIDPGSA-N 1 2 362.361 3.069 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898859 502888666 /nfs/dbraw/zinc/88/86/66/502888666.db2.gz MZBPCMJWGMPZMV-DRDHIDPGSA-N 1 2 362.361 3.069 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509617956 502950600 /nfs/dbraw/zinc/95/06/00/502950600.db2.gz BIEZUQJDJUYANC-NSHDSACASA-N 1 2 356.369 3.427 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509617956 502950605 /nfs/dbraw/zinc/95/06/05/502950605.db2.gz BIEZUQJDJUYANC-NSHDSACASA-N 1 2 356.369 3.427 20 5 FGBDLO O=C(NCC1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000501225734 502962559 /nfs/dbraw/zinc/96/25/59/502962559.db2.gz PTNZYKQDFNTPAT-UHFFFAOYSA-N 1 2 364.352 3.336 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000513672858 502997292 /nfs/dbraw/zinc/99/72/92/502997292.db2.gz NBUHTGHMGDNKGH-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO Cc1cccc(OCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513697175 503002911 /nfs/dbraw/zinc/00/29/11/503002911.db2.gz KKDRVOGKMNLREQ-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO CN(C)c1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000506050613 503036636 /nfs/dbraw/zinc/03/66/36/503036636.db2.gz DEDLYYQABKFVOZ-UHFFFAOYSA-N 1 2 351.204 3.430 20 5 FGBDLO COC(=O)[C@](C)(NCc1c(C)cc(C)[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000602916178 506351385 /nfs/dbraw/zinc/35/13/85/506351385.db2.gz RWLULNOICZNYIA-LJQANCHMSA-N 1 2 357.410 3.093 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864474 503096662 /nfs/dbraw/zinc/09/66/62/503096662.db2.gz UVCSLAYTHNTZMK-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501864474 503096668 /nfs/dbraw/zinc/09/66/68/503096668.db2.gz UVCSLAYTHNTZMK-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510354823 503097434 /nfs/dbraw/zinc/09/74/34/503097434.db2.gz QSBVMVSQILTCGE-QGZVFWFLSA-N 1 2 371.441 3.400 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000611893911 506353157 /nfs/dbraw/zinc/35/31/57/506353157.db2.gz DCAZKGXIFBLVMF-UHFFFAOYSA-N 1 2 360.439 3.258 20 5 FGBDLO O=C(NC1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506596874 503140485 /nfs/dbraw/zinc/14/04/85/503140485.db2.gz VYBBCTJNVSHUIN-SOFGYWHQSA-N 1 2 372.469 3.268 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511089891 503250770 /nfs/dbraw/zinc/25/07/70/503250770.db2.gz LQRDNXODZSAOFT-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511089891 503250774 /nfs/dbraw/zinc/25/07/74/503250774.db2.gz LQRDNXODZSAOFT-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000502943977 503313023 /nfs/dbraw/zinc/31/30/23/503313023.db2.gz MHIQIUQERKNPFJ-LJQANCHMSA-N 1 2 369.396 3.206 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000502943977 503313025 /nfs/dbraw/zinc/31/30/25/503313025.db2.gz MHIQIUQERKNPFJ-LJQANCHMSA-N 1 2 369.396 3.206 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602961787 506367039 /nfs/dbraw/zinc/36/70/39/506367039.db2.gz CXQDVMOVLPRKPM-HNNXBMFYSA-N 1 2 356.209 3.294 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000507839469 503377644 /nfs/dbraw/zinc/37/76/44/503377644.db2.gz WCRFNPQLYZDLAV-LBPRGKRZSA-N 1 2 372.429 3.215 20 5 FGBDLO Cc1cc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000511862647 503403055 /nfs/dbraw/zinc/40/30/55/503403055.db2.gz YOIXDDHBKLZLGJ-UHFFFAOYSA-N 1 2 353.357 3.186 20 5 FGBDLO COc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000499963165 503522604 /nfs/dbraw/zinc/52/26/04/503522604.db2.gz IGYRDJWMSROHEP-CYBMUJFWSA-N 1 2 354.765 3.219 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533042333 503711648 /nfs/dbraw/zinc/71/16/48/503711648.db2.gz BLBWEWQKYIPTOL-OAHLLOKOSA-N 1 2 374.828 3.373 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533042333 503711654 /nfs/dbraw/zinc/71/16/54/503711654.db2.gz BLBWEWQKYIPTOL-OAHLLOKOSA-N 1 2 374.828 3.373 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517564167 503772186 /nfs/dbraw/zinc/77/21/86/503772186.db2.gz FGGWWJZUHUFDTC-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000543449471 503775011 /nfs/dbraw/zinc/77/50/11/503775011.db2.gz LWHGXVRLJSGSQJ-QGZVFWFLSA-N 1 2 360.377 3.473 20 5 FGBDLO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533296061 503796759 /nfs/dbraw/zinc/79/67/59/503796759.db2.gz UFYYYDLDQAISQF-VHSXEESVSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533296061 503796765 /nfs/dbraw/zinc/79/67/65/503796765.db2.gz UFYYYDLDQAISQF-VHSXEESVSA-N 1 2 356.220 3.026 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000517968221 503877806 /nfs/dbraw/zinc/87/78/06/503877806.db2.gz BUVVXDDEYWYCKE-MJGOQNOKSA-N 1 2 367.449 3.254 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000517968221 503877807 /nfs/dbraw/zinc/87/78/07/503877807.db2.gz BUVVXDDEYWYCKE-MJGOQNOKSA-N 1 2 367.449 3.254 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546817150 503889914 /nfs/dbraw/zinc/88/99/14/503889914.db2.gz UDVQHXWWQINFTA-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000546817150 503889921 /nfs/dbraw/zinc/88/99/21/503889921.db2.gz UDVQHXWWQINFTA-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cccn2cc(CC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000540893598 503927745 /nfs/dbraw/zinc/92/77/45/503927745.db2.gz KLEFJOGXHPJJIG-UHFFFAOYSA-N 1 2 372.812 3.106 20 5 FGBDLO CCc1ccc([C@H]([NH2+]CCc2n[nH]c(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384225 504111982 /nfs/dbraw/zinc/11/19/82/504111982.db2.gz ICGVYGLAFGOIDM-GOSISDBHSA-N 1 2 355.398 3.098 20 5 FGBDLO CCc1ccc([C@H]([NH2+]CCc2nnc(C)[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384225 504111987 /nfs/dbraw/zinc/11/19/87/504111987.db2.gz ICGVYGLAFGOIDM-GOSISDBHSA-N 1 2 355.398 3.098 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000544622905 504195662 /nfs/dbraw/zinc/19/56/62/504195662.db2.gz ZCGNVOCOTBPODW-UHFFFAOYSA-N 1 2 372.406 3.403 20 5 FGBDLO Cc1cccn2cc(CC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000531215435 504229470 /nfs/dbraw/zinc/22/94/70/504229470.db2.gz SXYCOJJXLXPQCC-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1C ZINC000531254534 504244695 /nfs/dbraw/zinc/24/46/95/504244695.db2.gz GPGLRSRAJQGSAK-UHFFFAOYSA-N 1 2 371.437 3.276 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1SC ZINC000520283724 504453481 /nfs/dbraw/zinc/45/34/81/504453481.db2.gz QRCYEHMBYBVGHJ-UHFFFAOYSA-N 1 2 374.466 3.043 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532585381 504702966 /nfs/dbraw/zinc/70/29/66/504702966.db2.gz VVNWQFIOQUMRBG-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532585381 504702973 /nfs/dbraw/zinc/70/29/73/504702973.db2.gz VVNWQFIOQUMRBG-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532649618 504723826 /nfs/dbraw/zinc/72/38/26/504723826.db2.gz YITSGMRZMYVQHG-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532649618 504723832 /nfs/dbraw/zinc/72/38/32/504723832.db2.gz YITSGMRZMYVQHG-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000539889362 504730603 /nfs/dbraw/zinc/73/06/03/504730603.db2.gz GLBPJHYOIIGOQD-UHFFFAOYSA-N 1 2 370.331 3.209 20 5 FGBDLO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000556506479 504892010 /nfs/dbraw/zinc/89/20/10/504892010.db2.gz VNSWFIFJDOMTCZ-UHFFFAOYSA-N 1 2 371.359 3.148 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000565627032 504941160 /nfs/dbraw/zinc/94/11/60/504941160.db2.gz OWHWAJRYGNELGB-GFCCVEGCSA-N 1 2 356.357 3.110 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)n2)c1 ZINC000550143085 504977503 /nfs/dbraw/zinc/97/75/03/504977503.db2.gz CXRFAIZPGNZCOC-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC[C@@H]3CC3CCC3)n2)c1 ZINC000550143085 504977505 /nfs/dbraw/zinc/97/75/05/504977505.db2.gz CXRFAIZPGNZCOC-INIZCTEOSA-N 1 2 358.398 3.036 20 5 FGBDLO CC(=O)Nc1cccc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000560546681 505121570 /nfs/dbraw/zinc/12/15/70/505121570.db2.gz VMNQPLMKBZLSTH-SFHVURJKSA-N 1 2 365.393 3.488 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000554884931 505290076 /nfs/dbraw/zinc/29/00/76/505290076.db2.gz BNGZRSZVBYKEHH-LJQANCHMSA-N 1 2 369.421 3.122 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000554884931 505290082 /nfs/dbraw/zinc/29/00/82/505290082.db2.gz BNGZRSZVBYKEHH-LJQANCHMSA-N 1 2 369.421 3.122 20 5 FGBDLO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000561259112 505295506 /nfs/dbraw/zinc/29/55/06/505295506.db2.gz KWKYSAFVNMOWHX-IAQYHMDHSA-N 1 2 374.268 3.449 20 5 FGBDLO COC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000561390092 505333687 /nfs/dbraw/zinc/33/36/87/505333687.db2.gz OBWGREYPWADTGD-GOSISDBHSA-N 1 2 353.378 3.123 20 5 FGBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555380570 505421743 /nfs/dbraw/zinc/42/17/43/505421743.db2.gz WTNRJYUWRBSHMH-ZDUSSCGKSA-N 1 2 350.415 3.244 20 5 FGBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555380570 505421747 /nfs/dbraw/zinc/42/17/47/505421747.db2.gz WTNRJYUWRBSHMH-ZDUSSCGKSA-N 1 2 350.415 3.244 20 5 FGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463134 505436261 /nfs/dbraw/zinc/43/62/61/505436261.db2.gz YQEMAKRAUPXFQY-WQGACYEGSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463134 505436263 /nfs/dbraw/zinc/43/62/63/505436263.db2.gz YQEMAKRAUPXFQY-WQGACYEGSA-N 1 2 374.359 3.382 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792935 505516114 /nfs/dbraw/zinc/51/61/14/505516114.db2.gz XHIXITHCTAWTOU-WBMJQRKESA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792935 505516116 /nfs/dbraw/zinc/51/61/16/505516116.db2.gz XHIXITHCTAWTOU-WBMJQRKESA-N 1 2 369.849 3.322 20 5 FGBDLO CCc1cc(SC[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564903397 505554714 /nfs/dbraw/zinc/55/47/14/505554714.db2.gz PGHLXVRKNNBMRA-INIZCTEOSA-N 1 2 374.466 3.037 20 5 FGBDLO CCc1cc(SC[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564903397 505554717 /nfs/dbraw/zinc/55/47/17/505554717.db2.gz PGHLXVRKNNBMRA-INIZCTEOSA-N 1 2 374.466 3.037 20 5 FGBDLO O=[N+]([O-])c1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1C(F)(F)F ZINC000589103462 506440041 /nfs/dbraw/zinc/44/00/41/506440041.db2.gz ZXTBBLCKKJNWIF-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO Cc1nnc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000596555370 506458570 /nfs/dbraw/zinc/45/85/70/506458570.db2.gz CVSKLDCUDNNILK-UHFFFAOYSA-N 1 2 356.411 3.157 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2cccc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599505346 506476815 /nfs/dbraw/zinc/47/68/15/506476815.db2.gz NBGKTHSPGLGZTD-UHFFFAOYSA-N 1 2 373.384 3.216 20 5 FGBDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599512572 506480272 /nfs/dbraw/zinc/48/02/72/506480272.db2.gz KRFAPXSIRVNWAK-NXEZZACHSA-N 1 2 361.776 3.410 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2C3CCC2CC3)c1 ZINC000589251587 506497798 /nfs/dbraw/zinc/49/77/98/506497798.db2.gz XRQQDCGHRNUJDU-UHFFFAOYSA-N 1 2 358.179 3.326 20 5 FGBDLO CC(C)C1C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589514270 506576309 /nfs/dbraw/zinc/57/63/09/506576309.db2.gz QRWMFUSNQUNCAM-UHFFFAOYSA-N 1 2 360.195 3.287 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000603670304 506592248 /nfs/dbraw/zinc/59/22/48/506592248.db2.gz SVDIIWBFGLUUFF-UHFFFAOYSA-N 1 2 350.378 3.112 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)cs1 ZINC000593456574 506629598 /nfs/dbraw/zinc/62/95/98/506629598.db2.gz DTVCTQPSAKWSED-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CCNc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000612591428 506640685 /nfs/dbraw/zinc/64/06/85/506640685.db2.gz WXWHFTMZKHGXEF-LJQANCHMSA-N 1 2 368.437 3.156 20 5 FGBDLO CCNc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000612591428 506640692 /nfs/dbraw/zinc/64/06/92/506640692.db2.gz WXWHFTMZKHGXEF-LJQANCHMSA-N 1 2 368.437 3.156 20 5 FGBDLO C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000583243899 506670469 /nfs/dbraw/zinc/67/04/69/506670469.db2.gz HXAPDGRYOFGNDM-SWLSCSKDSA-N 1 2 366.377 3.427 20 5 FGBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000593595620 506696885 /nfs/dbraw/zinc/69/68/85/506696885.db2.gz PHSKEJLHZQAOKX-UHFFFAOYSA-N 1 2 374.416 3.192 20 5 FGBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604085390 506709010 /nfs/dbraw/zinc/70/90/10/506709010.db2.gz CUQRRIJKRFWVMC-LBPRGKRZSA-N 1 2 362.817 3.095 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000609155934 506796124 /nfs/dbraw/zinc/79/61/24/506796124.db2.gz AYXIVMWLOGTKIZ-AWEZNQCLSA-N 1 2 374.466 3.479 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)ccc1[N+](=O)[O-] ZINC000600156140 506811400 /nfs/dbraw/zinc/81/14/00/506811400.db2.gz NQQFMFBKAWCECY-UHFFFAOYSA-N 1 2 372.425 3.181 20 5 FGBDLO C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000590423323 506818218 /nfs/dbraw/zinc/81/82/18/506818218.db2.gz KRWXOMYPOOJNHI-ZWNOBZJWSA-N 1 2 370.331 3.242 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233298 506822316 /nfs/dbraw/zinc/82/23/16/506822316.db2.gz CUPPXORMHAEVJC-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233298 506822322 /nfs/dbraw/zinc/82/23/22/506822322.db2.gz CUPPXORMHAEVJC-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000583567943 506853645 /nfs/dbraw/zinc/85/36/45/506853645.db2.gz REKXAZDIQGJOKC-SECBINFHSA-N 1 2 367.203 3.452 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC=C(c4ccccn4)C3)o2)cc1 ZINC000590602846 506875897 /nfs/dbraw/zinc/87/58/97/506875897.db2.gz YZSIIUBIMPXFPA-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC=C(c4ccccn4)C3)o2)cc1 ZINC000590602846 506875905 /nfs/dbraw/zinc/87/59/05/506875905.db2.gz YZSIIUBIMPXFPA-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=c1[nH]cnc2cc(NCc3cccc(-n4cc[nH+]c4)c3)c([N+](=O)[O-])cc21 ZINC000609671122 506969474 /nfs/dbraw/zinc/96/94/74/506969474.db2.gz XHHGTNGDEXFXLD-UHFFFAOYSA-N 1 2 362.349 3.041 20 5 FGBDLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609706168 506978669 /nfs/dbraw/zinc/97/86/69/506978669.db2.gz SBSUIHLTUWSPNW-QGZVFWFLSA-N 1 2 355.394 3.304 20 5 FGBDLO O=C(C[N@H+]1CCCC[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609706168 506978675 /nfs/dbraw/zinc/97/86/75/506978675.db2.gz SBSUIHLTUWSPNW-QGZVFWFLSA-N 1 2 355.394 3.304 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613231563 506983512 /nfs/dbraw/zinc/98/35/12/506983512.db2.gz MAMCWQVLQIXFDV-AEFFLSMTSA-N 1 2 356.426 3.224 20 5 FGBDLO CC[N@H+](CCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000609849208 507023343 /nfs/dbraw/zinc/02/33/43/507023343.db2.gz BIUVXWOSMMHQCI-UHFFFAOYSA-N 1 2 351.410 3.288 20 5 FGBDLO CC[N@@H+](CCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000609849208 507023345 /nfs/dbraw/zinc/02/33/45/507023345.db2.gz BIUVXWOSMMHQCI-UHFFFAOYSA-N 1 2 351.410 3.288 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000601041710 507238677 /nfs/dbraw/zinc/23/86/77/507238677.db2.gz MEGGTSAESHUORO-CYBMUJFWSA-N 1 2 373.384 3.379 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH+]c12 ZINC000610446017 507242930 /nfs/dbraw/zinc/24/29/30/507242930.db2.gz IKPKBFGMZIKERB-UHFFFAOYSA-N 1 2 363.377 3.005 20 5 FGBDLO CC(=O)c1cc(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601240039 507307825 /nfs/dbraw/zinc/30/78/25/507307825.db2.gz DKEXLMNMRTVCGU-UHFFFAOYSA-N 1 2 372.450 3.358 20 5 FGBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610614683 507318793 /nfs/dbraw/zinc/31/87/93/507318793.db2.gz AEWKVSUKKIGWCP-IBGZPJMESA-N 1 2 370.405 3.136 20 5 FGBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610614683 507318800 /nfs/dbraw/zinc/31/88/00/507318800.db2.gz AEWKVSUKKIGWCP-IBGZPJMESA-N 1 2 370.405 3.136 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000595020415 507357270 /nfs/dbraw/zinc/35/72/70/507357270.db2.gz YATXVCAGBAOOIN-BMIGLBTASA-N 1 2 352.337 3.266 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611252726 507581623 /nfs/dbraw/zinc/58/16/23/507581623.db2.gz BBJPIQCGASLTGS-GOSISDBHSA-N 1 2 371.437 3.151 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611271401 507594270 /nfs/dbraw/zinc/59/42/70/507594270.db2.gz IJWAJLBYFKEECR-HXUWFJFHSA-N 1 2 370.405 3.114 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611271401 507594277 /nfs/dbraw/zinc/59/42/77/507594277.db2.gz IJWAJLBYFKEECR-HXUWFJFHSA-N 1 2 370.405 3.114 20 5 FGBDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000585756707 507618919 /nfs/dbraw/zinc/61/89/19/507618919.db2.gz WWUHFQDHJUHIMV-LBPRGKRZSA-N 1 2 366.414 3.378 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595699893 507636064 /nfs/dbraw/zinc/63/60/64/507636064.db2.gz BJHTVCYLAJMEPP-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595699893 507636069 /nfs/dbraw/zinc/63/60/69/507636069.db2.gz BJHTVCYLAJMEPP-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760344 507671376 /nfs/dbraw/zinc/67/13/76/507671376.db2.gz SVIZBOPDSJGTBJ-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760344 507671380 /nfs/dbraw/zinc/67/13/80/507671380.db2.gz SVIZBOPDSJGTBJ-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO CCCn1c2ccccc2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611480170 507700731 /nfs/dbraw/zinc/70/07/31/507700731.db2.gz OTFSHFYADUXQGC-UHFFFAOYSA-N 1 2 368.393 3.160 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)c1 ZINC000595838264 507708782 /nfs/dbraw/zinc/70/87/82/507708782.db2.gz ULAKHHUJSAHVGC-UHFFFAOYSA-N 1 2 355.354 3.012 20 5 FGBDLO Cn1cc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602459927 507715921 /nfs/dbraw/zinc/71/59/21/507715921.db2.gz WUJFMWBTZVEZLT-UHFFFAOYSA-N 1 2 369.400 3.107 20 5 FGBDLO Cn1cc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602459927 507715925 /nfs/dbraw/zinc/71/59/25/507715925.db2.gz WUJFMWBTZVEZLT-UHFFFAOYSA-N 1 2 369.400 3.107 20 5 FGBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602453881 507716790 /nfs/dbraw/zinc/71/67/90/507716790.db2.gz KMJPJBBDKPAVIU-UHFFFAOYSA-N 1 2 368.441 3.071 20 5 FGBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602453881 507716792 /nfs/dbraw/zinc/71/67/92/507716792.db2.gz KMJPJBBDKPAVIU-UHFFFAOYSA-N 1 2 368.441 3.071 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602484966 507722384 /nfs/dbraw/zinc/72/23/84/507722384.db2.gz KZATWPKIYIAPOT-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602484966 507722390 /nfs/dbraw/zinc/72/23/90/507722390.db2.gz KZATWPKIYIAPOT-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO CN(C)c1ncccc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512891 507732754 /nfs/dbraw/zinc/73/27/54/507732754.db2.gz XIFJOHHPLQDQGZ-UHFFFAOYSA-N 1 2 371.260 3.170 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000611555993 507737590 /nfs/dbraw/zinc/73/75/90/507737590.db2.gz AGHQVNLYHBOOOD-UHFFFAOYSA-N 1 2 373.434 3.395 20 5 FGBDLO Cc1cc(N2CCC3(CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588040238 507743315 /nfs/dbraw/zinc/74/33/15/507743315.db2.gz VVUBPBRCRCOGPS-UHFFFAOYSA-N 1 2 354.410 3.367 20 5 FGBDLO Cc1ncc([N+](=O)[O-])c(OCc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000570740158 568505279 /nfs/dbraw/zinc/50/52/79/568505279.db2.gz IYJVEPVTVYDTTQ-UHFFFAOYSA-N 1 2 357.410 3.018 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)c1 ZINC000823647653 607176950 /nfs/dbraw/zinc/17/69/50/607176950.db2.gz NUBYMFORIJBUPI-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)c1 ZINC000823647653 607176951 /nfs/dbraw/zinc/17/69/51/607176951.db2.gz NUBYMFORIJBUPI-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122301758 700687556 /nfs/dbraw/zinc/68/75/56/700687556.db2.gz YAIGTXSYUOQBCY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122301758 700687558 /nfs/dbraw/zinc/68/75/58/700687558.db2.gz YAIGTXSYUOQBCY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172417309 705417022 /nfs/dbraw/zinc/41/70/22/705417022.db2.gz KOLHADIPWXRUQI-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO Cc1cc(F)cc(C2(F)CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000374776547 713943408 /nfs/dbraw/zinc/94/34/08/713943408.db2.gz LQWVIIYXIDKMIO-UHFFFAOYSA-N 1 2 350.369 3.237 20 5 FGBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000802784738 724406709 /nfs/dbraw/zinc/40/67/09/724406709.db2.gz FDUWQJBYVHUISH-UHFFFAOYSA-N 1 2 357.288 3.137 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000757260742 722975604 /nfs/dbraw/zinc/97/56/04/722975604.db2.gz HRUNCJNNEVUNPJ-UHFFFAOYSA-N 1 2 363.805 3.061 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000757260742 722975605 /nfs/dbraw/zinc/97/56/05/722975605.db2.gz HRUNCJNNEVUNPJ-UHFFFAOYSA-N 1 2 363.805 3.061 20 5 FGBDLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558844 723258703 /nfs/dbraw/zinc/25/87/03/723258703.db2.gz RNMLEFLBYGFPLM-ZBEGNZNMSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558844 723258707 /nfs/dbraw/zinc/25/87/07/723258707.db2.gz RNMLEFLBYGFPLM-ZBEGNZNMSA-N 1 2 355.822 3.076 20 5 FGBDLO CCC1(CC)C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000767479862 723620776 /nfs/dbraw/zinc/62/07/76/723620776.db2.gz RLIAUHNGPVLABT-UHFFFAOYSA-N 1 2 351.428 3.068 20 5 FGBDLO CCC1(CC)C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000767479862 723620778 /nfs/dbraw/zinc/62/07/78/723620778.db2.gz RLIAUHNGPVLABT-UHFFFAOYSA-N 1 2 351.428 3.068 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796304795 723631809 /nfs/dbraw/zinc/63/18/09/723631809.db2.gz MELVVVVBRPTURF-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796304795 723631811 /nfs/dbraw/zinc/63/18/11/723631811.db2.gz MELVVVVBRPTURF-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO CC(C)OC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774627703 723911754 /nfs/dbraw/zinc/91/17/54/723911754.db2.gz SAPKXVBFTGAPHO-UHFFFAOYSA-N 1 2 352.822 3.445 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805773415 725093905 /nfs/dbraw/zinc/09/39/05/725093905.db2.gz QRPIYYIVTIQGPQ-OAHLLOKOSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805773415 725093907 /nfs/dbraw/zinc/09/39/07/725093907.db2.gz QRPIYYIVTIQGPQ-OAHLLOKOSA-N 1 2 353.394 3.225 20 5 FGBDLO C[C@]12CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(Cl)Cl ZINC000789487621 725131563 /nfs/dbraw/zinc/13/15/63/725131563.db2.gz OMTRVAMNMFNBKA-KGLIPLIRSA-N 1 2 355.225 3.418 20 5 FGBDLO C[C@]12CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(Cl)Cl ZINC000789487621 725131566 /nfs/dbraw/zinc/13/15/66/725131566.db2.gz OMTRVAMNMFNBKA-KGLIPLIRSA-N 1 2 355.225 3.418 20 5 FGBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017164 725282359 /nfs/dbraw/zinc/28/23/59/725282359.db2.gz NNOSAHOPRYQOKC-RISCZKNCSA-N 1 2 374.268 3.197 20 5 FGBDLO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815146852 727045396 /nfs/dbraw/zinc/04/53/96/727045396.db2.gz USVWCLLRKZLUIX-DZGCQCFKSA-N 1 2 362.348 3.060 20 5 FGBDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815146852 727045405 /nfs/dbraw/zinc/04/54/05/727045405.db2.gz USVWCLLRKZLUIX-DZGCQCFKSA-N 1 2 362.348 3.060 20 5 FGBDLO C[C@@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000821852649 729123422 /nfs/dbraw/zinc/12/34/22/729123422.db2.gz VBKHUJOQQJBJHW-LSDHHAIUSA-N 1 2 353.737 3.252 20 5 FGBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1csc(C(C)(C)O)n1 ZINC000832373916 729709314 /nfs/dbraw/zinc/70/93/14/729709314.db2.gz GRCAUNCVFWUQLQ-UHFFFAOYSA-N 1 2 365.455 3.180 20 5 FGBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1csc(C(C)(C)O)n1 ZINC000832373916 729709317 /nfs/dbraw/zinc/70/93/17/729709317.db2.gz GRCAUNCVFWUQLQ-UHFFFAOYSA-N 1 2 365.455 3.180 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000836784121 729969867 /nfs/dbraw/zinc/96/98/67/729969867.db2.gz BJKTYRVHMHVZAM-GFCCVEGCSA-N 1 2 362.817 3.310 20 5 FGBDLO CSc1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000842893504 730554404 /nfs/dbraw/zinc/55/44/04/730554404.db2.gz WZAHCGIHKNYELI-UHFFFAOYSA-N 1 2 359.407 3.005 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000852734699 731627727 /nfs/dbraw/zinc/62/77/27/731627727.db2.gz CHFCDJWTZACQSI-ZIAGYGMSSA-N 1 2 353.394 3.032 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000852734699 731627728 /nfs/dbraw/zinc/62/77/28/731627728.db2.gz CHFCDJWTZACQSI-ZIAGYGMSSA-N 1 2 353.394 3.032 20 5 FGBDLO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(Br)n1 ZINC000896280854 742526301 /nfs/dbraw/zinc/52/63/01/742526301.db2.gz DQPKKSAIFUIJEI-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000906926868 744172219 /nfs/dbraw/zinc/17/22/19/744172219.db2.gz CXZUBUWGIAKHRJ-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000906926868 744172223 /nfs/dbraw/zinc/17/22/23/744172223.db2.gz CXZUBUWGIAKHRJ-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000911963905 757239585 /nfs/dbraw/zinc/23/95/85/757239585.db2.gz PQWGBFLMKCXCGQ-UHFFFAOYSA-N 1 2 352.391 3.285 20 5 FGBDLO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000929603563 760418176 /nfs/dbraw/zinc/41/81/76/760418176.db2.gz OBLCBNZXVNURFI-MRXNPFEDSA-N 1 2 365.227 3.355 20 5 FGBDLO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000933564415 761427228 /nfs/dbraw/zinc/42/72/28/761427228.db2.gz GSIHYGFGDUDOLD-LLVKDONJSA-N 1 2 352.341 3.019 20 5 FGBDLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000933564415 761427233 /nfs/dbraw/zinc/42/72/33/761427233.db2.gz GSIHYGFGDUDOLD-LLVKDONJSA-N 1 2 352.341 3.019 20 5 FGBDLO O=C1OCCCN1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000933617204 761439852 /nfs/dbraw/zinc/43/98/52/761439852.db2.gz MRQCEUUDQCIVAT-UHFFFAOYSA-N 1 2 353.806 3.055 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000568101454 505616484 /nfs/dbraw/zinc/61/64/84/505616484.db2.gz ZDMKKCUQSYJCNP-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000568101454 505616489 /nfs/dbraw/zinc/61/64/89/505616489.db2.gz ZDMKKCUQSYJCNP-IEBWSBKVSA-N 1 2 358.394 3.235 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000075986910 493805838 /nfs/dbraw/zinc/80/58/38/493805838.db2.gz SUZUXWSQPHQZRB-UHFFFAOYSA-N 1 2 353.382 3.383 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000029557831 493845096 /nfs/dbraw/zinc/84/50/96/493845096.db2.gz CABFGGQMZHZQEO-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076494597 493905108 /nfs/dbraw/zinc/90/51/08/493905108.db2.gz PXZLFSVARDSJSR-CYBMUJFWSA-N 1 2 359.451 3.311 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076494597 493905109 /nfs/dbraw/zinc/90/51/09/493905109.db2.gz PXZLFSVARDSJSR-CYBMUJFWSA-N 1 2 359.451 3.311 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000076664582 493947179 /nfs/dbraw/zinc/94/71/79/493947179.db2.gz NUEYCCNDAFFYEI-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000076712511 493956149 /nfs/dbraw/zinc/95/61/49/493956149.db2.gz PLMFDKLLVFUUER-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000076712511 493956152 /nfs/dbraw/zinc/95/61/52/493956152.db2.gz PLMFDKLLVFUUER-CQSZACIVSA-N 1 2 355.354 3.278 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000032504696 493994227 /nfs/dbraw/zinc/99/42/27/493994227.db2.gz FTXUBUMWSUEXAV-UHFFFAOYSA-N 1 2 357.410 3.269 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000052219329 494012841 /nfs/dbraw/zinc/01/28/41/494012841.db2.gz KEVFZOMVOUQJSX-STQMWFEESA-N 1 2 360.389 3.355 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000052218857 494013062 /nfs/dbraw/zinc/01/30/62/494013062.db2.gz RVWZSFVUSRLDPO-CHWSQXEVSA-N 1 2 360.389 3.355 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000053211103 494105016 /nfs/dbraw/zinc/10/50/16/494105016.db2.gz VATBUCOLKGTFJB-INIZCTEOSA-N 1 2 369.356 3.379 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072771247 494247525 /nfs/dbraw/zinc/24/75/25/494247525.db2.gz RVZCFAWZLNYCEG-MXWKQRLJSA-N 1 2 357.863 3.401 20 5 FGBDLO O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055655768 494382902 /nfs/dbraw/zinc/38/29/02/494382902.db2.gz SEDCZQLORWGCHP-INIZCTEOSA-N 1 2 366.352 3.337 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000016557159 494393772 /nfs/dbraw/zinc/39/37/72/494393772.db2.gz IEFRGUKLAPHHJT-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000016557159 494393776 /nfs/dbraw/zinc/39/37/76/494393776.db2.gz IEFRGUKLAPHHJT-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056386854 494497522 /nfs/dbraw/zinc/49/75/22/494497522.db2.gz ZRCLCZWHKXOXTB-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000022089426 494514279 /nfs/dbraw/zinc/51/42/79/494514279.db2.gz WTPNHLDSERSCNP-QMMMGPOBSA-N 1 2 367.818 3.048 20 5 FGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000046342256 494517606 /nfs/dbraw/zinc/51/76/06/494517606.db2.gz WQTPRJPISHMNCT-CHWSQXEVSA-N 1 2 359.382 3.049 20 5 FGBDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599157 494540069 /nfs/dbraw/zinc/54/00/69/494540069.db2.gz YVLJZKGSMRYZFM-UHFFFAOYSA-N 1 2 367.858 3.400 20 5 FGBDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599157 494540071 /nfs/dbraw/zinc/54/00/71/494540071.db2.gz YVLJZKGSMRYZFM-UHFFFAOYSA-N 1 2 367.858 3.400 20 5 FGBDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599383 494540189 /nfs/dbraw/zinc/54/01/89/494540189.db2.gz BROYOHTWFXCXPN-CYBMUJFWSA-N 1 2 359.451 3.062 20 5 FGBDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599383 494540192 /nfs/dbraw/zinc/54/01/92/494540192.db2.gz BROYOHTWFXCXPN-CYBMUJFWSA-N 1 2 359.451 3.062 20 5 FGBDLO CC(C)(NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000080063683 494581952 /nfs/dbraw/zinc/58/19/52/494581952.db2.gz LNGCIAOCCFOHJY-UHFFFAOYSA-N 1 2 367.409 3.020 20 5 FGBDLO COc1cccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000092511236 494652936 /nfs/dbraw/zinc/65/29/36/494652936.db2.gz LLPLRCAVSXEGJM-LJQANCHMSA-N 1 2 372.421 3.490 20 5 FGBDLO COc1cccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000092511236 494652941 /nfs/dbraw/zinc/65/29/41/494652941.db2.gz LLPLRCAVSXEGJM-LJQANCHMSA-N 1 2 372.421 3.490 20 5 FGBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047259171 494666539 /nfs/dbraw/zinc/66/65/39/494666539.db2.gz KEHQWIFHODGDLO-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000047259171 494666544 /nfs/dbraw/zinc/66/65/44/494666544.db2.gz KEHQWIFHODGDLO-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH+]c12 ZINC000091992831 494747267 /nfs/dbraw/zinc/74/72/67/494747267.db2.gz HPRAULZJRKFJDQ-UHFFFAOYSA-N 1 2 366.421 3.449 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000025714850 494772820 /nfs/dbraw/zinc/77/28/20/494772820.db2.gz RDVVJUWUYMOJCQ-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000026812337 494839080 /nfs/dbraw/zinc/83/90/80/494839080.db2.gz STQKZOKSGLGCFS-UHFFFAOYSA-N 1 2 365.842 3.331 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000026812337 494839087 /nfs/dbraw/zinc/83/90/87/494839087.db2.gz STQKZOKSGLGCFS-UHFFFAOYSA-N 1 2 365.842 3.331 20 5 FGBDLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027109737 494852820 /nfs/dbraw/zinc/85/28/20/494852820.db2.gz UDKOMLMCKLLQFV-UHFFFAOYSA-N 1 2 357.435 3.210 20 5 FGBDLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027109737 494852823 /nfs/dbraw/zinc/85/28/23/494852823.db2.gz UDKOMLMCKLLQFV-UHFFFAOYSA-N 1 2 357.435 3.210 20 5 FGBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCn1c(C)[nH+]c2ccccc21 ZINC000109317375 494859077 /nfs/dbraw/zinc/85/90/77/494859077.db2.gz PBGALSTVBIXMOF-UHFFFAOYSA-N 1 2 367.409 3.115 20 5 FGBDLO NC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000093358507 494877796 /nfs/dbraw/zinc/87/77/96/494877796.db2.gz TVCDUXFVFSIJIU-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO NC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000093358507 494877800 /nfs/dbraw/zinc/87/78/00/494877800.db2.gz TVCDUXFVFSIJIU-UHFFFAOYSA-N 1 2 365.389 3.342 20 5 FGBDLO CN(CC(=O)Nc1c[nH+]ccc1OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000132622884 494901143 /nfs/dbraw/zinc/90/11/43/494901143.db2.gz ASPLZJSIJPPGKL-UHFFFAOYSA-N 1 2 358.398 3.242 20 5 FGBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000118849287 495048308 /nfs/dbraw/zinc/04/83/08/495048308.db2.gz XCRVASWCGTYXFW-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc([N+](=O)[O-])cn1 ZINC000568713637 505759477 /nfs/dbraw/zinc/75/94/77/505759477.db2.gz QKDYCVYHLQRFBA-UHFFFAOYSA-N 1 2 363.377 3.442 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128550375 495114610 /nfs/dbraw/zinc/11/46/10/495114610.db2.gz LRSSJXIXPMPVMI-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134359447 495138564 /nfs/dbraw/zinc/13/85/64/495138564.db2.gz GPUNLEGMINDEGU-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119779352 495239167 /nfs/dbraw/zinc/23/91/67/495239167.db2.gz CHQPPHMTXNZVRM-OAHLLOKOSA-N 1 2 368.842 3.124 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1F ZINC000135232566 495266224 /nfs/dbraw/zinc/26/62/24/495266224.db2.gz XYFYZMZFMQDZLP-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1F ZINC000135232566 495266229 /nfs/dbraw/zinc/26/62/29/495266229.db2.gz XYFYZMZFMQDZLP-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000113005986 495267815 /nfs/dbraw/zinc/26/78/15/495267815.db2.gz UKGPVGVDXFZKQJ-UHFFFAOYSA-N 1 2 366.377 3.144 20 5 FGBDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330447 495297065 /nfs/dbraw/zinc/29/70/65/495297065.db2.gz QJDOOJIQJBISGZ-VXGBXAGGSA-N 1 2 362.455 3.111 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130404832 495387044 /nfs/dbraw/zinc/38/70/44/495387044.db2.gz MGRWHCQZCIUJFT-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130404832 495387049 /nfs/dbraw/zinc/38/70/49/495387049.db2.gz MGRWHCQZCIUJFT-CQSZACIVSA-N 1 2 357.454 3.349 20 5 FGBDLO Cc1cc(CN2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000120598419 495414219 /nfs/dbraw/zinc/41/42/19/495414219.db2.gz JKGHOXXWEVGXOU-UHFFFAOYSA-N 1 2 358.442 3.332 20 5 FGBDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000170686570 495566273 /nfs/dbraw/zinc/56/62/73/495566273.db2.gz WOPCHQADYXZPNG-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182504401 495590250 /nfs/dbraw/zinc/59/02/50/495590250.db2.gz AXDWXHGYRFMJAP-CYBMUJFWSA-N 1 2 372.400 3.149 20 5 FGBDLO O=[N+]([O-])c1cc(CNc2cccc(CN3CCOCC3)[nH+]2)ccc1Cl ZINC000179452836 495595821 /nfs/dbraw/zinc/59/58/21/495595821.db2.gz VOSULBPDBNSHFP-UHFFFAOYSA-N 1 2 362.817 3.088 20 5 FGBDLO O=C(C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000154439346 495615445 /nfs/dbraw/zinc/61/54/45/495615445.db2.gz OXWKXSHSFKCIFB-MRXNPFEDSA-N 1 2 360.435 3.173 20 5 FGBDLO O=C(C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000154439346 495615451 /nfs/dbraw/zinc/61/54/51/495615451.db2.gz OXWKXSHSFKCIFB-MRXNPFEDSA-N 1 2 360.435 3.173 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176582637 495707490 /nfs/dbraw/zinc/70/74/90/495707490.db2.gz STGJCLKRQHKLBT-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000174240419 495877542 /nfs/dbraw/zinc/87/75/42/495877542.db2.gz FOKNMDGRKCHJIR-OAHLLOKOSA-N 1 2 368.437 3.071 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000183251960 495901286 /nfs/dbraw/zinc/90/12/86/495901286.db2.gz KKNZEZJFUDSVKV-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000183251960 495901291 /nfs/dbraw/zinc/90/12/91/495901291.db2.gz KKNZEZJFUDSVKV-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000155474516 495967327 /nfs/dbraw/zinc/96/73/27/495967327.db2.gz VOIKJMLBYZVJAW-LBPRGKRZSA-N 1 2 360.801 3.042 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000180521850 496031005 /nfs/dbraw/zinc/03/10/05/496031005.db2.gz ADRGFZWNYTZOAK-BMFZPTHFSA-N 1 2 354.410 3.431 20 5 FGBDLO O=C(NC[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171883519 496073983 /nfs/dbraw/zinc/07/39/83/496073983.db2.gz DGLNARXOOKDSHO-MRXNPFEDSA-N 1 2 362.389 3.240 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184021220 496205864 /nfs/dbraw/zinc/20/58/64/496205864.db2.gz VQHMOPKOXUPLRO-UHFFFAOYSA-N 1 2 355.398 3.042 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000175260090 496312454 /nfs/dbraw/zinc/31/24/54/496312454.db2.gz XREJJTCVRCUESX-MRXNPFEDSA-N 1 2 370.453 3.267 20 5 FGBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000184474768 496400196 /nfs/dbraw/zinc/40/01/96/496400196.db2.gz HVKPBJHTUVKNOD-UHFFFAOYSA-N 1 2 351.322 3.012 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000184581895 496449508 /nfs/dbraw/zinc/44/95/08/496449508.db2.gz LCISSDUHWXEIBC-SFHVURJKSA-N 1 2 358.348 3.486 20 5 FGBDLO COc1ccc(OCCOc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000181660255 496491871 /nfs/dbraw/zinc/49/18/71/496491871.db2.gz IAOTWIIREYGVOZ-UHFFFAOYSA-N 1 2 355.350 3.247 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000172932077 496493236 /nfs/dbraw/zinc/49/32/36/496493236.db2.gz QQLNDBPXAYCSKI-VMPITWQZSA-N 1 2 365.433 3.374 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184717812 496505358 /nfs/dbraw/zinc/50/53/58/496505358.db2.gz LYHGVFUPWFFZNR-INIZCTEOSA-N 1 2 356.426 3.224 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000178649424 496529396 /nfs/dbraw/zinc/52/93/96/496529396.db2.gz ZGWSQOKPSBVHGQ-UHFFFAOYSA-N 1 2 357.410 3.125 20 5 FGBDLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc(N)c2c1C ZINC000181811094 496554511 /nfs/dbraw/zinc/55/45/11/496554511.db2.gz SCOXEWTUROQUFG-NSHDSACASA-N 1 2 355.398 3.489 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184857229 496560443 /nfs/dbraw/zinc/56/04/43/496560443.db2.gz FQSDFKBIMQDENX-SZVBFZGTSA-N 1 2 370.453 3.470 20 5 FGBDLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164358089 496607802 /nfs/dbraw/zinc/60/78/02/496607802.db2.gz AWSAQQOKUIFDSB-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO CCc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000173377686 496664889 /nfs/dbraw/zinc/66/48/89/496664889.db2.gz MDYXMXQEHYGRAK-UHFFFAOYSA-N 1 2 364.405 3.332 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182111735 496674591 /nfs/dbraw/zinc/67/45/91/496674591.db2.gz OWRUWBNVSRCOLO-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182111735 496674595 /nfs/dbraw/zinc/67/45/95/496674595.db2.gz OWRUWBNVSRCOLO-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273469452 496814653 /nfs/dbraw/zinc/81/46/53/496814653.db2.gz CUATYJNKLIELNG-SFYZADRCSA-N 1 2 369.834 3.086 20 5 FGBDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269302267 496915391 /nfs/dbraw/zinc/91/53/91/496915391.db2.gz UYHPGAHFRKREBO-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO CN(Cc1[nH+]ccn1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278428691 497111265 /nfs/dbraw/zinc/11/12/65/497111265.db2.gz JGAQDWCOAPTVGU-UHFFFAOYSA-N 1 2 365.262 3.014 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192713993 497192898 /nfs/dbraw/zinc/19/28/98/497192898.db2.gz XQADZJJVYBLQIR-MRXNPFEDSA-N 1 2 355.438 3.464 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192713993 497192903 /nfs/dbraw/zinc/19/29/03/497192903.db2.gz XQADZJJVYBLQIR-MRXNPFEDSA-N 1 2 355.438 3.464 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278922157 497268402 /nfs/dbraw/zinc/26/84/02/497268402.db2.gz IOPKAOZCQIKMIH-UHFFFAOYSA-N 1 2 372.400 3.287 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000279151875 497350048 /nfs/dbraw/zinc/35/00/48/497350048.db2.gz HIJICCRCZNNKNC-SFHVURJKSA-N 1 2 368.437 3.493 20 5 FGBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255676937 497374045 /nfs/dbraw/zinc/37/40/45/497374045.db2.gz UGLLHAWLNVKMEZ-DAXSKMNVSA-N 1 2 369.396 3.205 20 5 FGBDLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271639612 497406432 /nfs/dbraw/zinc/40/64/32/497406432.db2.gz QXJKWYHTOYCNIS-SGTLLEGYSA-N 1 2 357.385 3.404 20 5 FGBDLO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267070483 497480101 /nfs/dbraw/zinc/48/01/01/497480101.db2.gz VUBOLIRRLJGJPD-UHFFFAOYSA-N 1 2 351.422 3.395 20 5 FGBDLO Cc1ccc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000569352368 505915611 /nfs/dbraw/zinc/91/56/11/505915611.db2.gz YZCPXBQPJJGXBG-LLVKDONJSA-N 1 2 356.304 3.311 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000268054955 497669075 /nfs/dbraw/zinc/66/90/75/497669075.db2.gz RJNTWNOZEFRIKZ-ZDUSSCGKSA-N 1 2 357.414 3.277 20 5 FGBDLO CCOc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000276931272 497691411 /nfs/dbraw/zinc/69/14/11/497691411.db2.gz QXIANQFMVHIBEP-UHFFFAOYSA-N 1 2 360.332 3.337 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000272711857 497709837 /nfs/dbraw/zinc/70/98/37/497709837.db2.gz XZAWGANFSLLQKB-OAHLLOKOSA-N 1 2 358.354 3.173 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000272711857 497709842 /nfs/dbraw/zinc/70/98/42/497709842.db2.gz XZAWGANFSLLQKB-OAHLLOKOSA-N 1 2 358.354 3.173 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000280486495 497769637 /nfs/dbraw/zinc/76/96/37/497769637.db2.gz FAYLLIBSHHRLEV-UHFFFAOYSA-N 1 2 374.871 3.393 20 5 FGBDLO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000280716752 497870182 /nfs/dbraw/zinc/87/01/82/497870182.db2.gz GWAWIACESSBFRR-QGZVFWFLSA-N 1 2 369.421 3.176 20 5 FGBDLO Cc1cc(N2CC[C@@H](n3cccn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292187427 497914688 /nfs/dbraw/zinc/91/46/88/497914688.db2.gz BLZUUGLSOMRGFH-MRXNPFEDSA-N 1 2 350.382 3.008 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1F ZINC000301121509 497960595 /nfs/dbraw/zinc/96/05/95/497960595.db2.gz ZNQSEQLTYNCROI-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CCC2 ZINC000364518321 497998639 /nfs/dbraw/zinc/99/86/39/497998639.db2.gz OHYBCUTXJVUYFA-CQSZACIVSA-N 1 2 357.414 3.416 20 5 FGBDLO Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)c1 ZINC000301208433 498001427 /nfs/dbraw/zinc/00/14/27/498001427.db2.gz UWMZORZXQDOYCF-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281133287 498031238 /nfs/dbraw/zinc/03/12/38/498031238.db2.gz NORSBPKODHSBEK-OAHLLOKOSA-N 1 2 359.386 3.447 20 5 FGBDLO CCc1cc(N[C@@H]2CCc3n[nH]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301278120 498033439 /nfs/dbraw/zinc/03/34/39/498033439.db2.gz LLXVUKOJXTWIRT-OAHLLOKOSA-N 1 2 364.409 3.307 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nncn1C ZINC000285464431 498095356 /nfs/dbraw/zinc/09/53/56/498095356.db2.gz KASHWKWLXSIVFZ-KRWDZBQOSA-N 1 2 355.398 3.470 20 5 FGBDLO NC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289300449 498097235 /nfs/dbraw/zinc/09/72/35/498097235.db2.gz CONDZBKXIKGOGQ-UHFFFAOYSA-N 1 2 360.241 3.379 20 5 FGBDLO CC(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285505490 498110834 /nfs/dbraw/zinc/11/08/34/498110834.db2.gz FOQQABVBDGOUNN-GFCCVEGCSA-N 1 2 374.369 3.123 20 5 FGBDLO COC(=O)c1cc(NCCn2c(C)[nH+]c3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000301589484 498176661 /nfs/dbraw/zinc/17/66/61/498176661.db2.gz XBXACMVKCBZTIY-UHFFFAOYSA-N 1 2 368.393 3.460 20 5 FGBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)c1 ZINC000301625633 498194076 /nfs/dbraw/zinc/19/40/76/498194076.db2.gz HCKQDRHMWVFDOW-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000289727227 498267053 /nfs/dbraw/zinc/26/70/53/498267053.db2.gz JVVUEHYCXQXUBK-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000289727227 498267056 /nfs/dbraw/zinc/26/70/56/498267056.db2.gz JVVUEHYCXQXUBK-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@H]1CCCO1 ZINC000289727220 498267763 /nfs/dbraw/zinc/26/77/63/498267763.db2.gz JVVUEHYCXQXUBK-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@H]1CCCO1 ZINC000289727220 498267771 /nfs/dbraw/zinc/26/77/71/498267771.db2.gz JVVUEHYCXQXUBK-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000331187488 498271218 /nfs/dbraw/zinc/27/12/18/498271218.db2.gz UCBBWKWIFKGAOJ-AWEZNQCLSA-N 1 2 357.410 3.324 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3c(Br)cncc3[N+](=O)[O-])cn21 ZINC000301877600 498308289 /nfs/dbraw/zinc/30/82/89/498308289.db2.gz JCIWRVWZLXNMMX-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000360870731 498317649 /nfs/dbraw/zinc/31/76/49/498317649.db2.gz GSXCHYCBIDGQFH-UHFFFAOYSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n[nH]1 ZINC000360870731 498317654 /nfs/dbraw/zinc/31/76/54/498317654.db2.gz GSXCHYCBIDGQFH-UHFFFAOYSA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH]1 ZINC000360870731 498317657 /nfs/dbraw/zinc/31/76/57/498317657.db2.gz GSXCHYCBIDGQFH-UHFFFAOYSA-N 1 2 369.347 3.420 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1[C@H]1CCCO1 ZINC000289839566 498318159 /nfs/dbraw/zinc/31/81/59/498318159.db2.gz PUGWZJSQRVVRRC-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1[C@H]1CCCO1 ZINC000289839566 498318162 /nfs/dbraw/zinc/31/81/62/498318162.db2.gz PUGWZJSQRVVRRC-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccsc1 ZINC000286286080 498351298 /nfs/dbraw/zinc/35/12/98/498351298.db2.gz XLHZLTGHIYMNOX-AWEZNQCLSA-N 1 2 359.411 3.020 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000578831997 506031020 /nfs/dbraw/zinc/03/10/20/506031020.db2.gz KCMVMVUGUPWCQQ-WQELODFKSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000578831997 506031026 /nfs/dbraw/zinc/03/10/26/506031026.db2.gz KCMVMVUGUPWCQQ-WQELODFKSA-N 1 2 374.372 3.213 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365404873 498449544 /nfs/dbraw/zinc/44/95/44/498449544.db2.gz QNKRWTQFSXNGMF-UHFFFAOYSA-N 1 2 363.805 3.445 20 5 FGBDLO C[C@@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000365408594 498452403 /nfs/dbraw/zinc/45/24/03/498452403.db2.gz YCNNTQDJLZVAKZ-GFCCVEGCSA-N 1 2 360.389 3.029 20 5 FGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294520111 498718149 /nfs/dbraw/zinc/71/81/49/498718149.db2.gz FMFWULVGJJYSJE-UHFFFAOYSA-N 1 2 362.451 3.409 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294520111 498718153 /nfs/dbraw/zinc/71/81/53/498718153.db2.gz FMFWULVGJJYSJE-UHFFFAOYSA-N 1 2 362.451 3.409 20 5 FGBDLO CC(=O)c1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000287412354 498746626 /nfs/dbraw/zinc/74/66/26/498746626.db2.gz SXIDYNAFZJWZRJ-AWEZNQCLSA-N 1 2 354.410 3.076 20 5 FGBDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc1[N+](=O)[O-] ZINC000332702735 498769357 /nfs/dbraw/zinc/76/93/57/498769357.db2.gz YMEADFKSBMEIPA-CQSZACIVSA-N 1 2 356.426 3.142 20 5 FGBDLO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000327380121 498857548 /nfs/dbraw/zinc/85/75/48/498857548.db2.gz OFOFZYZAHMXINQ-MEDUHNTESA-N 1 2 364.398 3.303 20 5 FGBDLO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000576214760 506104473 /nfs/dbraw/zinc/10/44/73/506104473.db2.gz IUQNGIYKEPJRDU-UHFFFAOYSA-N 1 2 363.377 3.133 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000366356777 498889796 /nfs/dbraw/zinc/88/97/96/498889796.db2.gz RMGGCTWAZWGYHS-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000570202690 506113832 /nfs/dbraw/zinc/11/38/32/506113832.db2.gz AMEBMLLJDRIQML-UHFFFAOYSA-N 1 2 369.412 3.227 20 5 FGBDLO Nc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000283752566 498974822 /nfs/dbraw/zinc/97/48/22/498974822.db2.gz LHYCCYVASFGTBQ-UHFFFAOYSA-N 1 2 363.421 3.179 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295538876 499045512 /nfs/dbraw/zinc/04/55/12/499045512.db2.gz RBVUCEVHXRVVRD-AAEUAGOBSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295538876 499045515 /nfs/dbraw/zinc/04/55/15/499045515.db2.gz RBVUCEVHXRVVRD-AAEUAGOBSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000366820046 499084862 /nfs/dbraw/zinc/08/48/62/499084862.db2.gz OHROMZPZLYJMGM-CQSZACIVSA-N 1 2 369.421 3.256 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000366904384 499111456 /nfs/dbraw/zinc/11/14/56/499111456.db2.gz RFYYHOOAIHBQML-CYBMUJFWSA-N 1 2 373.413 3.139 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000372661699 499158115 /nfs/dbraw/zinc/15/81/15/499158115.db2.gz YQCBCUCEPHUQBQ-UHFFFAOYSA-N 1 2 363.801 3.236 20 5 FGBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000370029930 499168956 /nfs/dbraw/zinc/16/89/56/499168956.db2.gz UPEFRXNOXADMCQ-GOSISDBHSA-N 1 2 373.363 3.186 20 5 FGBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000370029930 499168959 /nfs/dbraw/zinc/16/89/59/499168959.db2.gz UPEFRXNOXADMCQ-GOSISDBHSA-N 1 2 373.363 3.186 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000368466437 499298684 /nfs/dbraw/zinc/29/86/84/499298684.db2.gz QPKATKMUPRYMID-SOFGYWHQSA-N 1 2 374.828 3.453 20 5 FGBDLO Cc1[nH]c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000368537646 499305696 /nfs/dbraw/zinc/30/56/96/499305696.db2.gz GVMOGBNPCVNKCZ-QGZVFWFLSA-N 1 2 366.425 3.327 20 5 FGBDLO Cc1[nH]c([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000368537646 499305697 /nfs/dbraw/zinc/30/56/97/499305697.db2.gz GVMOGBNPCVNKCZ-QGZVFWFLSA-N 1 2 366.425 3.327 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007573 499356459 /nfs/dbraw/zinc/35/64/59/499356459.db2.gz IVNOWYIYQQONIE-HOTGVXAUSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007573 499356460 /nfs/dbraw/zinc/35/64/60/499356460.db2.gz IVNOWYIYQQONIE-HOTGVXAUSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007575 499356591 /nfs/dbraw/zinc/35/65/91/499356591.db2.gz IVNOWYIYQQONIE-JKSUJKDBSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007575 499356593 /nfs/dbraw/zinc/35/65/93/499356593.db2.gz IVNOWYIYQQONIE-JKSUJKDBSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000369093430 499364933 /nfs/dbraw/zinc/36/49/33/499364933.db2.gz VMVHPQJGVHWXIG-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000369093430 499364936 /nfs/dbraw/zinc/36/49/36/499364936.db2.gz VMVHPQJGVHWXIG-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000373695855 499483813 /nfs/dbraw/zinc/48/38/13/499483813.db2.gz MUCQMAFPZKWVAQ-UHFFFAOYSA-N 1 2 367.321 3.454 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000373734764 499485435 /nfs/dbraw/zinc/48/54/35/499485435.db2.gz DQKACAYINBRPRU-HNNXBMFYSA-N 1 2 372.425 3.496 20 5 FGBDLO C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375334870 499508037 /nfs/dbraw/zinc/50/80/37/499508037.db2.gz DMEFLGPWSJPBRV-CYBMUJFWSA-N 1 2 368.397 3.239 20 5 FGBDLO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000395367710 499562687 /nfs/dbraw/zinc/56/26/87/499562687.db2.gz NODGCBGMRXVVMQ-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000395367710 499562689 /nfs/dbraw/zinc/56/26/89/499562689.db2.gz NODGCBGMRXVVMQ-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000375943715 499570239 /nfs/dbraw/zinc/57/02/39/499570239.db2.gz WPZTZZDHSYQDIL-LLVKDONJSA-N 1 2 363.805 3.393 20 5 FGBDLO Cc1cc(N2CCO[C@]3(CCSC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000579347904 506153373 /nfs/dbraw/zinc/15/33/73/506153373.db2.gz QMVSARDWXCSWSU-GOSISDBHSA-N 1 2 372.450 3.073 20 5 FGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000414466774 499795905 /nfs/dbraw/zinc/79/59/05/499795905.db2.gz WTMXJZKWXKBQEJ-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO COc1ccc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000411900692 499802483 /nfs/dbraw/zinc/80/24/83/499802483.db2.gz CIKLMTIUMLNMAD-GFCCVEGCSA-N 1 2 350.415 3.298 20 5 FGBDLO COc1ccc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000411900692 499802484 /nfs/dbraw/zinc/80/24/84/499802484.db2.gz CIKLMTIUMLNMAD-GFCCVEGCSA-N 1 2 350.415 3.298 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSC2(CCC2)CC1 ZINC000412454575 499855509 /nfs/dbraw/zinc/85/55/09/499855509.db2.gz RCJXKFXNPUCDNZ-UHFFFAOYSA-N 1 2 372.450 3.282 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413226679 499929628 /nfs/dbraw/zinc/92/96/28/499929628.db2.gz HJMRSEJYWSFJTE-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000413292661 499938139 /nfs/dbraw/zinc/93/81/39/499938139.db2.gz DQBMYYNVJAAHHM-WBAXXEDZSA-N 1 2 354.410 3.202 20 5 FGBDLO O=C1CCCN1[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413579221 499996347 /nfs/dbraw/zinc/99/63/47/499996347.db2.gz ZWWJACZICWLUOU-OAHLLOKOSA-N 1 2 354.410 3.124 20 5 FGBDLO Cc1oc2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000429240036 500030392 /nfs/dbraw/zinc/03/03/92/500030392.db2.gz WQTYJNOFLIOHIG-UHFFFAOYSA-N 1 2 355.398 3.355 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429361794 500060119 /nfs/dbraw/zinc/06/01/19/500060119.db2.gz GBDJGWBSDGQKTH-KBPBESRZSA-N 1 2 363.458 3.071 20 5 FGBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429845 500103966 /nfs/dbraw/zinc/10/39/66/500103966.db2.gz BMLHZADUTDQWBZ-SNVBAGLBSA-N 1 2 372.263 3.092 20 5 FGBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429845 500103962 /nfs/dbraw/zinc/10/39/62/500103962.db2.gz BMLHZADUTDQWBZ-SNVBAGLBSA-N 1 2 372.263 3.092 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421647678 500105927 /nfs/dbraw/zinc/10/59/27/500105927.db2.gz WKSFCEWQYLEKRI-INIZCTEOSA-N 1 2 354.410 3.433 20 5 FGBDLO CCOc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)ccc1[N+](=O)[O-] ZINC000425484541 500120113 /nfs/dbraw/zinc/12/01/13/500120113.db2.gz JECVFPDVFSAOPF-JTQLQIEISA-N 1 2 365.411 3.087 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509096 500127722 /nfs/dbraw/zinc/12/77/22/500127722.db2.gz KAJMMZQROZMEOZ-CIISACIHSA-N 1 2 362.332 3.458 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509096 500127726 /nfs/dbraw/zinc/12/77/26/500127726.db2.gz KAJMMZQROZMEOZ-CIISACIHSA-N 1 2 362.332 3.458 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000573365024 506180806 /nfs/dbraw/zinc/18/08/06/506180806.db2.gz ZPRPYEUBVOCPFN-HNNXBMFYSA-N 1 2 367.453 3.147 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000430217984 500210833 /nfs/dbraw/zinc/21/08/33/500210833.db2.gz JGFBCTJLIFSKLR-UHFFFAOYSA-N 1 2 373.428 3.450 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000430217984 500210834 /nfs/dbraw/zinc/21/08/34/500210834.db2.gz JGFBCTJLIFSKLR-UHFFFAOYSA-N 1 2 373.428 3.450 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000430224601 500211929 /nfs/dbraw/zinc/21/19/29/500211929.db2.gz YYFOKXLVFUBGEN-UHFFFAOYSA-N 1 2 366.421 3.480 20 5 FGBDLO COCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccnn1C ZINC000426521021 500284162 /nfs/dbraw/zinc/28/41/62/500284162.db2.gz GKVQDJWNHMONPO-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO COCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccnn1C ZINC000426521021 500284164 /nfs/dbraw/zinc/28/41/64/500284164.db2.gz GKVQDJWNHMONPO-UHFFFAOYSA-N 1 2 370.409 3.237 20 5 FGBDLO [NH3+][C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000423160057 500349804 /nfs/dbraw/zinc/34/98/04/500349804.db2.gz GSGCGIWACUCZBA-QGZVFWFLSA-N 1 2 363.364 3.012 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419375329 500358786 /nfs/dbraw/zinc/35/87/86/500358786.db2.gz QFBORFQSVWHKHI-HNNXBMFYSA-N 1 2 369.874 3.404 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419375329 500358787 /nfs/dbraw/zinc/35/87/87/500358787.db2.gz QFBORFQSVWHKHI-HNNXBMFYSA-N 1 2 369.874 3.404 20 5 FGBDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428453909 500511960 /nfs/dbraw/zinc/51/19/60/500511960.db2.gz CHBZTFCVFAQPJE-NSHDSACASA-N 1 2 363.801 3.171 20 5 FGBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428453909 500511961 /nfs/dbraw/zinc/51/19/61/500511961.db2.gz CHBZTFCVFAQPJE-NSHDSACASA-N 1 2 363.801 3.171 20 5 FGBDLO NC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000447394608 500600417 /nfs/dbraw/zinc/60/04/17/500600417.db2.gz GZZBJXMCJUTAKE-AWEZNQCLSA-N 1 2 371.290 3.069 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432998116 500603631 /nfs/dbraw/zinc/60/36/31/500603631.db2.gz ZWPAPBBTEVVQJY-SECBINFHSA-N 1 2 367.203 3.007 20 5 FGBDLO CCO[C@H](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000447810650 500667269 /nfs/dbraw/zinc/66/72/69/500667269.db2.gz KNBMEXQKNQINFU-LJQANCHMSA-N 1 2 365.474 3.290 20 5 FGBDLO COc1cccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000444362293 500839534 /nfs/dbraw/zinc/83/95/34/500839534.db2.gz FMWAXCJSZKMCFE-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449553569 501031300 /nfs/dbraw/zinc/03/13/00/501031300.db2.gz NGZRKQCTCVQPJL-GOSISDBHSA-N 1 2 366.483 3.119 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449553569 501031301 /nfs/dbraw/zinc/03/13/01/501031301.db2.gz NGZRKQCTCVQPJL-GOSISDBHSA-N 1 2 366.483 3.119 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602611489 506231391 /nfs/dbraw/zinc/23/13/91/506231391.db2.gz DGFXBGDNSIEYMP-RXMQYKEDSA-N 1 2 363.262 3.430 20 5 FGBDLO COc1cccc2c(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc[nH+]c12 ZINC000436186318 501086042 /nfs/dbraw/zinc/08/60/42/501086042.db2.gz PGCQZQXJCPMIKB-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450445435 501123119 /nfs/dbraw/zinc/12/31/19/501123119.db2.gz GMMRKAAYVQJWRP-HOTGVXAUSA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cn4cc(Cl)ccc4n3)nc2c1 ZINC000446846774 501172591 /nfs/dbraw/zinc/17/25/91/501172591.db2.gz DOJKNXIJNJHVMX-UHFFFAOYSA-N 1 2 356.773 3.062 20 5 FGBDLO COCC[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450687044 501186190 /nfs/dbraw/zinc/18/61/90/501186190.db2.gz WLUHSVDTNKFDHY-HNNXBMFYSA-N 1 2 372.425 3.059 20 5 FGBDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450774243 501206033 /nfs/dbraw/zinc/20/60/33/501206033.db2.gz NVWZWICFSWBNHJ-YJBOKZPZSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1cc(N2CC[S@](=O)C(C)(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450834597 501216013 /nfs/dbraw/zinc/21/60/13/501216013.db2.gz YRMRQHKPGIRYIL-SANMLTNESA-N 1 2 374.466 3.098 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[C@H](C)C1 ZINC000451153800 501248571 /nfs/dbraw/zinc/24/85/71/501248571.db2.gz JAGWWASPWVAKCW-GOEBONIOSA-N 1 2 372.425 3.058 20 5 FGBDLO O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451460198 501297218 /nfs/dbraw/zinc/29/72/18/501297218.db2.gz JBIWSURQXLKARW-LBPRGKRZSA-N 1 2 364.352 3.336 20 5 FGBDLO Cc1cc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453255909 501300572 /nfs/dbraw/zinc/30/05/72/501300572.db2.gz FTZJUTSNYLORFI-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1cc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453255909 501300573 /nfs/dbraw/zinc/30/05/73/501300573.db2.gz FTZJUTSNYLORFI-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452597711 501529925 /nfs/dbraw/zinc/52/99/25/501529925.db2.gz PQZUHXFTQHIWNH-WRXMGDCGSA-N 1 2 364.405 3.065 20 5 FGBDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502117 501665248 /nfs/dbraw/zinc/66/52/48/501665248.db2.gz DGZWWAVLSIZMJC-UHFFFAOYSA-N 1 2 369.469 3.393 20 5 FGBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459724038 501704176 /nfs/dbraw/zinc/70/41/76/501704176.db2.gz WGVGODDJPBLBFT-ZDUSSCGKSA-N 1 2 355.822 3.078 20 5 FGBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459724038 501704179 /nfs/dbraw/zinc/70/41/79/501704179.db2.gz WGVGODDJPBLBFT-ZDUSSCGKSA-N 1 2 355.822 3.078 20 5 FGBDLO O=C1[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459763912 501710330 /nfs/dbraw/zinc/71/03/30/501710330.db2.gz MSPSPWUDXIPZKI-KRWDZBQOSA-N 1 2 357.797 3.369 20 5 FGBDLO O=C1[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459763912 501710333 /nfs/dbraw/zinc/71/03/33/501710333.db2.gz MSPSPWUDXIPZKI-KRWDZBQOSA-N 1 2 357.797 3.369 20 5 FGBDLO Cc1c(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000481484347 501787737 /nfs/dbraw/zinc/78/77/37/501787737.db2.gz WJNPVWWJSBJGRF-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)nc1-c1ccc(F)cc1 ZINC000485409952 501812818 /nfs/dbraw/zinc/81/28/18/501812818.db2.gz RYGXQZWHKFQXDO-UHFFFAOYSA-N 1 2 353.357 3.137 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000485537305 501851804 /nfs/dbraw/zinc/85/18/04/501851804.db2.gz PLBOGDKLOLDGFE-UHFFFAOYSA-N 1 2 352.350 3.051 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936241 501861671 /nfs/dbraw/zinc/86/16/71/501861671.db2.gz ZDCLBNGEZQLMRR-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936241 501861678 /nfs/dbraw/zinc/86/16/78/501861678.db2.gz ZDCLBNGEZQLMRR-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)o2)c1 ZINC000485694785 501904622 /nfs/dbraw/zinc/90/46/22/501904622.db2.gz QOOOHMKSUJTISK-LJQANCHMSA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)o2)c1 ZINC000485694785 501904624 /nfs/dbraw/zinc/90/46/24/501904624.db2.gz QOOOHMKSUJTISK-LJQANCHMSA-N 1 2 372.421 3.482 20 5 FGBDLO O=C1COc2cc([N+](=O)[O-])c(Nc3ccc(N4CCCCC4)[nH+]c3)cc2N1 ZINC000474783790 501952088 /nfs/dbraw/zinc/95/20/88/501952088.db2.gz MQJRXRAWNJWEKU-UHFFFAOYSA-N 1 2 369.381 3.055 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1sc(Br)cc1[N+](=O)[O-] ZINC000485895908 501980765 /nfs/dbraw/zinc/98/07/65/501980765.db2.gz NPDXEGATPNIVJA-UHFFFAOYSA-N 1 2 367.184 3.319 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000474969075 502007511 /nfs/dbraw/zinc/00/75/11/502007511.db2.gz UFKKFGNLCRKREL-JSGCOSHPSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000474969075 502007515 /nfs/dbraw/zinc/00/75/15/502007515.db2.gz UFKKFGNLCRKREL-JSGCOSHPSA-N 1 2 356.426 3.424 20 5 FGBDLO COc1cc(N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000486445969 502156288 /nfs/dbraw/zinc/15/62/88/502156288.db2.gz COFDPHYTAOMKNC-GOSISDBHSA-N 1 2 371.437 3.397 20 5 FGBDLO O=C1CCCCN1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599059099 506300118 /nfs/dbraw/zinc/30/01/18/506300118.db2.gz XJFJERPYEBRZMJ-UHFFFAOYSA-N 1 2 354.410 3.124 20 5 FGBDLO CCn1ncnc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475586462 502219609 /nfs/dbraw/zinc/21/96/09/502219609.db2.gz UBLDNRXQKMMJIY-UHFFFAOYSA-N 1 2 371.372 3.427 20 5 FGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479399008 502246943 /nfs/dbraw/zinc/24/69/43/502246943.db2.gz VNVYHQRDCWUPCJ-UHFFFAOYSA-N 1 2 370.340 3.069 20 5 FGBDLO CCC(=O)c1ccc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000479934438 502422871 /nfs/dbraw/zinc/42/28/71/502422871.db2.gz WDIAEVPOQRZXDT-MRXNPFEDSA-N 1 2 363.458 3.346 20 5 FGBDLO C[C@H](c1ccsc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000462452847 502444647 /nfs/dbraw/zinc/44/46/47/502444647.db2.gz QBQWNKYOYWQZMD-OAHLLOKOSA-N 1 2 361.467 3.414 20 5 FGBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000480082575 502468055 /nfs/dbraw/zinc/46/80/55/502468055.db2.gz NLVNUVJNUNGPMX-UHFFFAOYSA-N 1 2 368.397 3.354 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483977634 502538867 /nfs/dbraw/zinc/53/88/67/502538867.db2.gz OGMYHWLRDZDHSA-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483977634 502538873 /nfs/dbraw/zinc/53/88/73/502538873.db2.gz OGMYHWLRDZDHSA-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO COc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000476633480 502545275 /nfs/dbraw/zinc/54/52/75/502545275.db2.gz SCLXZLPYBHPMLP-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599092975 506321097 /nfs/dbraw/zinc/32/10/97/506321097.db2.gz LIIQPEWOCLDAPU-UHFFFAOYSA-N 1 2 371.412 3.307 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000473519522 502620571 /nfs/dbraw/zinc/62/05/71/502620571.db2.gz GKULRHHKKBFUQO-UHFFFAOYSA-N 1 2 359.389 3.422 20 5 FGBDLO Cn1cc([C@@H]2C[C@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCO2)cn1 ZINC000599106806 506324955 /nfs/dbraw/zinc/32/49/55/506324955.db2.gz HKQVTLCUKNYTQD-PBHICJAKSA-N 1 2 353.382 3.209 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000474077682 502801300 /nfs/dbraw/zinc/80/13/00/502801300.db2.gz WMRRGACDZXIHQI-UHFFFAOYSA-N 1 2 360.320 3.478 20 5 FGBDLO Cn1c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2cc(Cl)ccc21 ZINC000495449561 502841000 /nfs/dbraw/zinc/84/10/00/502841000.db2.gz DIMWBVWQGMQUTO-UHFFFAOYSA-N 1 2 357.801 3.088 20 5 FGBDLO Cn1c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2cc(Cl)ccc21 ZINC000495449561 502841003 /nfs/dbraw/zinc/84/10/03/502841003.db2.gz DIMWBVWQGMQUTO-UHFFFAOYSA-N 1 2 357.801 3.088 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cn21 ZINC000488945498 502843325 /nfs/dbraw/zinc/84/33/25/502843325.db2.gz NSGGPPSDDAIFOD-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000513429360 502936409 /nfs/dbraw/zinc/93/64/09/502936409.db2.gz FIHQQMAPCFLQNO-XQRVVYSFSA-N 1 2 354.332 3.499 20 5 FGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000513429360 502936410 /nfs/dbraw/zinc/93/64/10/502936410.db2.gz FIHQQMAPCFLQNO-XQRVVYSFSA-N 1 2 354.332 3.499 20 5 FGBDLO CCn1cnnc1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000509584258 502940968 /nfs/dbraw/zinc/94/09/68/502940968.db2.gz FTYHRODVDWUGPO-UHFFFAOYSA-N 1 2 366.425 3.264 20 5 FGBDLO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509874911 503002311 /nfs/dbraw/zinc/00/23/11/503002311.db2.gz PVTCBIZOAICOFH-UHFFFAOYSA-N 1 2 371.437 3.285 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000513989822 503061831 /nfs/dbraw/zinc/06/18/31/503061831.db2.gz OYLPLHIIXDKRID-MRXNPFEDSA-N 1 2 359.813 3.343 20 5 FGBDLO O=[N+]([O-])c1cccc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1 ZINC000510403764 503107528 /nfs/dbraw/zinc/10/75/28/503107528.db2.gz WTXVSFYFXPXWTR-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000506562789 503137128 /nfs/dbraw/zinc/13/71/28/503137128.db2.gz PPOMIKSNLDFSNO-HWKANZROSA-N 1 2 358.829 3.479 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000491089934 503271866 /nfs/dbraw/zinc/27/18/66/503271866.db2.gz JHDVAHMEGYSGBY-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000491089934 503271869 /nfs/dbraw/zinc/27/18/69/503271869.db2.gz JHDVAHMEGYSGBY-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000502917042 503307639 /nfs/dbraw/zinc/30/76/39/503307639.db2.gz ADBRLZWIJPHCRT-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000502917042 503307641 /nfs/dbraw/zinc/30/76/41/503307641.db2.gz ADBRLZWIJPHCRT-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492557235 503374603 /nfs/dbraw/zinc/37/46/03/503374603.db2.gz ICCYXHNOEQESBB-INIZCTEOSA-N 1 2 354.341 3.319 20 5 FGBDLO COc1cc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492786014 503384991 /nfs/dbraw/zinc/38/49/91/503384991.db2.gz WQGPUTNOKWRWRE-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO CCc1cc(N[C@H](C)[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503300750 503386608 /nfs/dbraw/zinc/38/66/08/503386608.db2.gz FTOPYSLPPXLTQN-UKRRQHHQSA-N 1 2 356.426 3.263 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593073966 506376239 /nfs/dbraw/zinc/37/62/39/506376239.db2.gz ZCCVKSOJUHFBRQ-NSHDSACASA-N 1 2 369.368 3.052 20 5 FGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000536661106 503665627 /nfs/dbraw/zinc/66/56/27/503665627.db2.gz YLHRMGGJRNCQKJ-FNORWQNLSA-N 1 2 360.435 3.144 20 5 FGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000536661106 503665634 /nfs/dbraw/zinc/66/56/34/503665634.db2.gz YLHRMGGJRNCQKJ-FNORWQNLSA-N 1 2 360.435 3.144 20 5 FGBDLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000517615763 503786115 /nfs/dbraw/zinc/78/61/15/503786115.db2.gz RKDSRRMZQPGKRN-MRXNPFEDSA-N 1 2 355.394 3.304 20 5 FGBDLO O=C(C[N@H+]1CCCC[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000517615763 503786117 /nfs/dbraw/zinc/78/61/17/503786117.db2.gz RKDSRRMZQPGKRN-MRXNPFEDSA-N 1 2 355.394 3.304 20 5 FGBDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000533516462 503873790 /nfs/dbraw/zinc/87/37/90/503873790.db2.gz SFVCWGCRYOHGJJ-UHFFFAOYSA-N 1 2 350.415 3.218 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@H]2CC(=O)N(C(C)C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381685 504110858 /nfs/dbraw/zinc/11/08/58/504110858.db2.gz FAVXVSWHOYWHQH-MGPUTAFESA-N 1 2 371.437 3.439 20 5 FGBDLO CS(=O)(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000538190768 504156954 /nfs/dbraw/zinc/15/69/54/504156954.db2.gz JMFXGXRGHULKBM-UHFFFAOYSA-N 1 2 372.406 3.001 20 5 FGBDLO CCNc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000534520370 504163506 /nfs/dbraw/zinc/16/35/06/504163506.db2.gz DOTNZTKICOXQGH-UHFFFAOYSA-N 1 2 374.466 3.046 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000519608989 504271721 /nfs/dbraw/zinc/27/17/21/504271721.db2.gz PKNNAKYUJDMDKP-CQSZACIVSA-N 1 2 371.393 3.010 20 5 FGBDLO CCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000538609009 504302101 /nfs/dbraw/zinc/30/21/01/504302101.db2.gz QFXWEYUMFTWODO-UHFFFAOYSA-N 1 2 356.382 3.103 20 5 FGBDLO COc1cc2c(cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OCO2 ZINC000544928038 504302983 /nfs/dbraw/zinc/30/29/83/504302983.db2.gz SNKKUYYTELSHLD-UHFFFAOYSA-N 1 2 356.378 3.497 20 5 FGBDLO COc1cc2c(cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OCO2 ZINC000544928038 504302985 /nfs/dbraw/zinc/30/29/85/504302985.db2.gz SNKKUYYTELSHLD-UHFFFAOYSA-N 1 2 356.378 3.497 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266406 504388424 /nfs/dbraw/zinc/38/84/24/504388424.db2.gz RCOFXWLOMMPUKG-MRXNPFEDSA-N 1 2 363.364 3.473 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266406 504388425 /nfs/dbraw/zinc/38/84/25/504388425.db2.gz RCOFXWLOMMPUKG-MRXNPFEDSA-N 1 2 363.364 3.473 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1[nH]ncc1Br)C1CC1 ZINC000531714236 504401591 /nfs/dbraw/zinc/40/15/91/504401591.db2.gz DHRKFNONBMQJOE-ZDUSSCGKSA-N 1 2 365.231 3.191 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000536022784 504611367 /nfs/dbraw/zinc/61/13/67/504611367.db2.gz JOBQYWUSCFYDSS-AWEZNQCLSA-N 1 2 363.215 3.351 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000536022784 504611369 /nfs/dbraw/zinc/61/13/69/504611369.db2.gz JOBQYWUSCFYDSS-AWEZNQCLSA-N 1 2 363.215 3.351 20 5 FGBDLO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000559149104 504791928 /nfs/dbraw/zinc/79/19/28/504791928.db2.gz DFYITLAGNQWPQO-UHFFFAOYSA-N 1 2 363.458 3.161 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000549535625 504844870 /nfs/dbraw/zinc/84/48/70/504844870.db2.gz HICTYXXXLXFNBS-ZDUSSCGKSA-N 1 2 355.394 3.278 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563083544 505042880 /nfs/dbraw/zinc/04/28/80/505042880.db2.gz PMYCJVGWUBDMQD-AWEZNQCLSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563083544 505042883 /nfs/dbraw/zinc/04/28/83/505042883.db2.gz PMYCJVGWUBDMQD-AWEZNQCLSA-N 1 2 372.368 3.206 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000563715849 505218983 /nfs/dbraw/zinc/21/89/83/505218983.db2.gz KVROLRDCBKTFFI-UHFFFAOYSA-N 1 2 357.757 3.140 20 5 FGBDLO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000554697519 505242926 /nfs/dbraw/zinc/24/29/26/505242926.db2.gz VOOWOYMBMVQTCG-SWLSCSKDSA-N 1 2 365.430 3.022 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000561315403 505312813 /nfs/dbraw/zinc/31/28/13/505312813.db2.gz ZIQWVEDLOLYQHS-GOSISDBHSA-N 1 2 368.441 3.060 20 5 FGBDLO O=C(C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2)Nc1ccccc1[N+](=O)[O-] ZINC000564393901 505405754 /nfs/dbraw/zinc/40/57/54/505405754.db2.gz RPKMZLUREZMOBM-FQEVSTJZSA-N 1 2 367.405 3.003 20 5 FGBDLO O=C(C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2)Nc1ccccc1[N+](=O)[O-] ZINC000564393901 505405759 /nfs/dbraw/zinc/40/57/59/505405759.db2.gz RPKMZLUREZMOBM-FQEVSTJZSA-N 1 2 367.405 3.003 20 5 FGBDLO Cc1c(CC(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000555319682 505406284 /nfs/dbraw/zinc/40/62/84/505406284.db2.gz UWSGFBDLPPKNIX-UHFFFAOYSA-N 1 2 353.382 3.027 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229737 505434614 /nfs/dbraw/zinc/43/46/14/505434614.db2.gz SZGHBPMSJDVITJ-QAQDUYKDSA-N 1 2 368.437 3.462 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596593802 506479382 /nfs/dbraw/zinc/47/93/82/506479382.db2.gz SKZHGHUJSBIJLX-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596593802 506479387 /nfs/dbraw/zinc/47/93/87/506479387.db2.gz SKZHGHUJSBIJLX-CXAGYDPISA-N 1 2 354.410 3.400 20 5 FGBDLO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599666653 506565733 /nfs/dbraw/zinc/56/57/33/506565733.db2.gz OJOHMBDVMKYFPJ-HNNXBMFYSA-N 1 2 374.368 3.015 20 5 FGBDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599666653 506565734 /nfs/dbraw/zinc/56/57/34/506565734.db2.gz OJOHMBDVMKYFPJ-HNNXBMFYSA-N 1 2 374.368 3.015 20 5 FGBDLO NC(=O)c1ccnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000589571097 506588806 /nfs/dbraw/zinc/58/88/06/506588806.db2.gz CMELKYAVAZLKEK-UHFFFAOYSA-N 1 2 355.398 3.434 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000604012499 506685972 /nfs/dbraw/zinc/68/59/72/506685972.db2.gz ISEWUIBANSBMAK-UHFFFAOYSA-N 1 2 361.467 3.243 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOCC2(CCC2)C1 ZINC000612746509 506717560 /nfs/dbraw/zinc/71/75/60/506717560.db2.gz QTCWHHLGDLQBRB-LBPRGKRZSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOCC2(CCC2)C1 ZINC000612746509 506717570 /nfs/dbraw/zinc/71/75/70/506717570.db2.gz QTCWHHLGDLQBRB-LBPRGKRZSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)cn1 ZINC000600108438 506780037 /nfs/dbraw/zinc/78/00/37/506780037.db2.gz AJUWZWKUPHCXLP-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000597145307 506797907 /nfs/dbraw/zinc/79/79/07/506797907.db2.gz GYKGVTSTOUNQNF-IBGZPJMESA-N 1 2 370.405 3.026 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597221785 506844333 /nfs/dbraw/zinc/84/43/33/506844333.db2.gz SVVPNLSMISALPZ-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000597221785 506844337 /nfs/dbraw/zinc/84/43/37/506844337.db2.gz SVVPNLSMISALPZ-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000597243872 506857311 /nfs/dbraw/zinc/85/73/11/506857311.db2.gz PAGGPKAZUSKOQG-GXDHUFHOSA-N 1 2 355.442 3.403 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000597243872 506857319 /nfs/dbraw/zinc/85/73/19/506857319.db2.gz PAGGPKAZUSKOQG-GXDHUFHOSA-N 1 2 355.442 3.403 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000583646711 506893915 /nfs/dbraw/zinc/89/39/15/506893915.db2.gz GBWUQSAUIVAMRQ-QGZVFWFLSA-N 1 2 358.348 3.486 20 5 FGBDLO Cc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000609681709 506974554 /nfs/dbraw/zinc/97/45/54/506974554.db2.gz RNPAQQZWRGXYRR-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000609732175 506983350 /nfs/dbraw/zinc/98/33/50/506983350.db2.gz CWHLKSDVQOJXHI-UHFFFAOYSA-N 1 2 360.757 3.304 20 5 FGBDLO COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)CC[N@@H+]3C)cc2)c([N+](=O)[O-])c1 ZINC000600783531 507120167 /nfs/dbraw/zinc/12/01/67/507120167.db2.gz DTHMBBSXSNQZOQ-GOSISDBHSA-N 1 2 368.389 3.384 20 5 FGBDLO COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)CC[N@H+]3C)cc2)c([N+](=O)[O-])c1 ZINC000600783531 507120176 /nfs/dbraw/zinc/12/01/76/507120176.db2.gz DTHMBBSXSNQZOQ-GOSISDBHSA-N 1 2 368.389 3.384 20 5 FGBDLO CCC(CC)C(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591139091 507129587 /nfs/dbraw/zinc/12/95/87/507129587.db2.gz CWOXKCKDGYLADF-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610190621 507132472 /nfs/dbraw/zinc/13/24/72/507132472.db2.gz QXWQUVBTJZEGTB-UYAOXDASSA-N 1 2 362.389 3.241 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594511491 507163359 /nfs/dbraw/zinc/16/33/59/507163359.db2.gz OBBQOOSBYNQCMM-QRTARXTBSA-N 1 2 371.441 3.065 20 5 FGBDLO COc1cc(CCNc2ccc3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000610339606 507201300 /nfs/dbraw/zinc/20/13/00/507201300.db2.gz CWSSFYQPKXDKGE-UHFFFAOYSA-N 1 2 353.378 3.237 20 5 FGBDLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601024489 507231905 /nfs/dbraw/zinc/23/19/05/507231905.db2.gz QPVJVGIFYLOZFX-UHFFFAOYSA-N 1 2 354.410 3.077 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000601041711 507238425 /nfs/dbraw/zinc/23/84/25/507238425.db2.gz MEGGTSAESHUORO-ZDUSSCGKSA-N 1 2 373.384 3.379 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591843154 507387791 /nfs/dbraw/zinc/38/77/91/507387791.db2.gz BVTCAYZBUUJVKE-AWEZNQCLSA-N 1 2 365.231 3.391 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610876771 507426699 /nfs/dbraw/zinc/42/66/99/507426699.db2.gz PUFRDLUCCCWLLK-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c(Cl)c1 ZINC000598643008 507529869 /nfs/dbraw/zinc/52/98/69/507529869.db2.gz LOUAGCIIQSBVTJ-MRXNPFEDSA-N 1 2 366.826 3.008 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCOC2)CC1 ZINC000611177726 507548723 /nfs/dbraw/zinc/54/87/23/507548723.db2.gz KECSKQKTBAVBBA-LBPRGKRZSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180588 507550959 /nfs/dbraw/zinc/55/09/59/507550959.db2.gz LPPQWQUGVMWNTG-SNVBAGLBSA-N 1 2 350.325 3.437 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000595760322 507672180 /nfs/dbraw/zinc/67/21/80/507672180.db2.gz QKQDHUWXXCBCID-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000595760322 507672184 /nfs/dbraw/zinc/67/21/84/507672184.db2.gz QKQDHUWXXCBCID-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c2c1 ZINC000131082629 700809916 /nfs/dbraw/zinc/80/99/16/700809916.db2.gz RUVNNMXJRKLDRI-FZMZJTMJSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c2c1 ZINC000131082629 700809919 /nfs/dbraw/zinc/80/99/19/700809919.db2.gz RUVNNMXJRKLDRI-FZMZJTMJSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000133663044 700840187 /nfs/dbraw/zinc/84/01/87/700840187.db2.gz PVHHNAKGAJULRY-CYBMUJFWSA-N 1 2 350.806 3.193 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000133663044 700840190 /nfs/dbraw/zinc/84/01/90/700840190.db2.gz PVHHNAKGAJULRY-CYBMUJFWSA-N 1 2 350.806 3.193 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136896350 704865643 /nfs/dbraw/zinc/86/56/43/704865643.db2.gz KWRYMMGAJYEYNA-MRXNPFEDSA-N 1 2 365.773 3.322 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136896350 704865650 /nfs/dbraw/zinc/86/56/50/704865650.db2.gz KWRYMMGAJYEYNA-MRXNPFEDSA-N 1 2 365.773 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000247384616 713639880 /nfs/dbraw/zinc/63/98/80/713639880.db2.gz LHVLZYNSVIQMSW-IJEWVQPXSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000247384616 713639881 /nfs/dbraw/zinc/63/98/81/713639881.db2.gz LHVLZYNSVIQMSW-IJEWVQPXSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H](c1ccsc1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088343 723477765 /nfs/dbraw/zinc/47/77/65/723477765.db2.gz SCXFPOHKUJNKNR-KSSFIOAISA-N 1 2 361.467 3.069 20 5 FGBDLO O=C(OCCCn1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783315669 724747001 /nfs/dbraw/zinc/74/70/01/724747001.db2.gz JJYFGIWZCDAMGP-UHFFFAOYSA-N 1 2 358.379 3.162 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734837429 722510421 /nfs/dbraw/zinc/51/04/21/722510421.db2.gz IRRZFWSDKQMRPR-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734837429 722510422 /nfs/dbraw/zinc/51/04/22/722510422.db2.gz IRRZFWSDKQMRPR-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000754347475 722935300 /nfs/dbraw/zinc/93/53/00/722935300.db2.gz LOAOZMSKCUWUNU-ZDUSSCGKSA-N 1 2 367.789 3.065 20 5 FGBDLO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000754377496 722936331 /nfs/dbraw/zinc/93/63/31/722936331.db2.gz YCWWVXAAGZYWFA-JTQLQIEISA-N 1 2 354.819 3.384 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796548595 723642893 /nfs/dbraw/zinc/64/28/93/723642893.db2.gz NVVVQLYMXIFFIW-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796548595 723642895 /nfs/dbraw/zinc/64/28/95/723642895.db2.gz NVVVQLYMXIFFIW-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(F)(F)F ZINC000801541312 724311663 /nfs/dbraw/zinc/31/16/63/724311663.db2.gz CVJOBFJGOMUSLO-AWEZNQCLSA-N 1 2 350.312 3.259 20 5 FGBDLO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940623 725277112 /nfs/dbraw/zinc/27/71/12/725277112.db2.gz NVNFOTCMKZDFIK-JTQLQIEISA-N 1 2 360.241 3.379 20 5 FGBDLO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940623 725277113 /nfs/dbraw/zinc/27/71/13/725277113.db2.gz NVNFOTCMKZDFIK-JTQLQIEISA-N 1 2 360.241 3.379 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000811588605 725374294 /nfs/dbraw/zinc/37/42/94/725374294.db2.gz PXIUSFNKGKDWNY-UHFFFAOYSA-N 1 2 360.439 3.293 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000833690490 729750288 /nfs/dbraw/zinc/75/02/88/729750288.db2.gz SUYDACJFFYHDKI-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO O=C(O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841009689 730203196 /nfs/dbraw/zinc/20/31/96/730203196.db2.gz GUTIURHCDZLJCC-BNOWGMLFSA-N 1 2 370.192 3.140 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846907509 730993935 /nfs/dbraw/zinc/99/39/35/730993935.db2.gz IKOBGWRPMSOQPT-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2ccncc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846907509 730993936 /nfs/dbraw/zinc/99/39/36/730993936.db2.gz IKOBGWRPMSOQPT-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO CC[N@H+](CCC(F)(F)F)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477521 731169264 /nfs/dbraw/zinc/16/92/64/731169264.db2.gz SDWBGLURJMZGJD-AWEZNQCLSA-N 1 2 359.348 3.143 20 5 FGBDLO CC[N@@H+](CCC(F)(F)F)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477521 731169265 /nfs/dbraw/zinc/16/92/65/731169265.db2.gz SDWBGLURJMZGJD-AWEZNQCLSA-N 1 2 359.348 3.143 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852416650 731581519 /nfs/dbraw/zinc/58/15/19/731581519.db2.gz DWFDCJGMILYGHX-DTWKUNHWSA-N 1 2 354.819 3.383 20 5 FGBDLO COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852568524 731602205 /nfs/dbraw/zinc/60/22/05/731602205.db2.gz IDAVLRJRABXNNF-UHFFFAOYSA-N 1 2 350.202 3.032 20 5 FGBDLO COC(=O)N(C)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852568524 731602206 /nfs/dbraw/zinc/60/22/06/731602206.db2.gz IDAVLRJRABXNNF-UHFFFAOYSA-N 1 2 350.202 3.032 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533605 736870898 /nfs/dbraw/zinc/87/08/98/736870898.db2.gz HGFMHCSNWBWDSE-KOLCDFICSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533605 736870907 /nfs/dbraw/zinc/87/09/07/736870907.db2.gz HGFMHCSNWBWDSE-KOLCDFICSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@](CO)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000886236222 739235027 /nfs/dbraw/zinc/23/50/27/739235027.db2.gz BNEDZWAPAZAFLN-OAHLLOKOSA-N 1 2 356.209 3.294 20 5 FGBDLO Cn1nc2c(c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CSCC2 ZINC000893946348 742217268 /nfs/dbraw/zinc/21/72/68/742217268.db2.gz YTXKULPZLBPWKD-UHFFFAOYSA-N 1 2 358.467 3.282 20 5 FGBDLO Cn1nc2c(c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CSCC2 ZINC000893946348 742217272 /nfs/dbraw/zinc/21/72/72/742217272.db2.gz YTXKULPZLBPWKD-UHFFFAOYSA-N 1 2 358.467 3.282 20 5 FGBDLO C[C@@H](c1nnc(SCC[N+](=O)[O-])n1-c1ccccc1)[NH+]1CCCCC1 ZINC000901413080 743273257 /nfs/dbraw/zinc/27/32/57/743273257.db2.gz OBUMYAUSDWCVOC-AWEZNQCLSA-N 1 2 361.471 3.183 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903086644 743803037 /nfs/dbraw/zinc/80/30/37/743803037.db2.gz AQMGVUUZROSQSG-LBPRGKRZSA-N 1 2 351.204 3.248 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903086644 743803042 /nfs/dbraw/zinc/80/30/42/743803042.db2.gz AQMGVUUZROSQSG-LBPRGKRZSA-N 1 2 351.204 3.248 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000934651962 761684159 /nfs/dbraw/zinc/68/41/59/761684159.db2.gz GPTSQRNGXMPSCK-SWLSCSKDSA-N 1 2 360.439 3.237 20 5 FGBDLO CC1CCN(c2ccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000579603760 505585089 /nfs/dbraw/zinc/58/50/89/505585089.db2.gz MBLRIZSLQOTQPF-UHFFFAOYSA-N 1 2 371.441 3.219 20 5 FGBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000568069774 505608754 /nfs/dbraw/zinc/60/87/54/505608754.db2.gz PFQMVEUKPFVVFM-UHFFFAOYSA-N 1 2 366.805 3.100 20 5 FGBDLO O=C(NCCCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068179298 493772778 /nfs/dbraw/zinc/77/27/78/493772778.db2.gz SWLOCYVZRABFKO-UHFFFAOYSA-N 1 2 368.368 3.282 20 5 FGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000029584557 493845507 /nfs/dbraw/zinc/84/55/07/493845507.db2.gz LUHPQSZLOKATGA-UHFFFAOYSA-N 1 2 359.405 3.282 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000049980513 493889078 /nfs/dbraw/zinc/88/90/78/493889078.db2.gz FPVMVBTXSIUUBE-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1sc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000031900550 493965158 /nfs/dbraw/zinc/96/51/58/493965158.db2.gz VZUJZYFVIHGKHK-HNNXBMFYSA-N 1 2 374.397 3.357 20 5 FGBDLO Cc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000031896226 493965623 /nfs/dbraw/zinc/96/56/23/493965623.db2.gz PLRJAJRNWAQWAC-OAHLLOKOSA-N 1 2 374.397 3.357 20 5 FGBDLO CN(Cc1ccc(F)cc1F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032140904 493976550 /nfs/dbraw/zinc/97/65/50/493976550.db2.gz CCRRXPDNVQLJTM-UHFFFAOYSA-N 1 2 372.331 3.331 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000051865730 493991174 /nfs/dbraw/zinc/99/11/74/493991174.db2.gz UZOMDYGDRFJLBR-UHFFFAOYSA-N 1 2 356.426 3.004 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC(C)(C)C1 ZINC000083415150 494016582 /nfs/dbraw/zinc/01/65/82/494016582.db2.gz GZKJFOSIOZFQIP-SNVBAGLBSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC(C)(C)C1 ZINC000083415150 494016584 /nfs/dbraw/zinc/01/65/84/494016584.db2.gz GZKJFOSIOZFQIP-SNVBAGLBSA-N 1 2 357.863 3.403 20 5 FGBDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589650 494043558 /nfs/dbraw/zinc/04/35/58/494043558.db2.gz MKEDXXMFXBAPEX-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589650 494043561 /nfs/dbraw/zinc/04/35/61/494043561.db2.gz MKEDXXMFXBAPEX-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000052821749 494065090 /nfs/dbraw/zinc/06/50/90/494065090.db2.gz NYLDXPUQQTUVJB-HNNXBMFYSA-N 1 2 374.397 3.066 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000052821749 494065093 /nfs/dbraw/zinc/06/50/93/494065093.db2.gz NYLDXPUQQTUVJB-HNNXBMFYSA-N 1 2 374.397 3.066 20 5 FGBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000065022147 494166108 /nfs/dbraw/zinc/16/61/08/494166108.db2.gz GZXUBMKKNAXFCK-UHFFFAOYSA-N 1 2 353.338 3.007 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2cnn(Cc3[nH+]ccn3CC(F)(F)F)c2)cc1 ZINC000072626266 494220038 /nfs/dbraw/zinc/22/00/38/494220038.db2.gz JNTBXCGVMJSRFK-UHFFFAOYSA-N 1 2 351.288 3.265 20 5 FGBDLO COc1ncccc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389834 494229600 /nfs/dbraw/zinc/22/96/00/494229600.db2.gz VSILINCWJMLBGM-UHFFFAOYSA-N 1 2 351.366 3.376 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000073113054 494324062 /nfs/dbraw/zinc/32/40/62/494324062.db2.gz YAQPVHXHXWXLSL-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000073113054 494324066 /nfs/dbraw/zinc/32/40/66/494324066.db2.gz YAQPVHXHXWXLSL-GJZGRUSLSA-N 1 2 361.442 3.027 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000073124095 494324532 /nfs/dbraw/zinc/32/45/32/494324532.db2.gz KNRZFXONXGIUCH-INIZCTEOSA-N 1 2 351.366 3.239 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccn1 ZINC000055516538 494354372 /nfs/dbraw/zinc/35/43/72/494354372.db2.gz UCCHDKUXBDJZIT-MRXNPFEDSA-N 1 2 363.377 3.153 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCN(c4cccs4)CC3)n2)c1 ZINC000121306592 494693599 /nfs/dbraw/zinc/69/35/99/494693599.db2.gz LGBLYHYVTBRPRV-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744485 494770762 /nfs/dbraw/zinc/77/07/62/494770762.db2.gz GAAOWHZFCQPDBX-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628326 494805412 /nfs/dbraw/zinc/80/54/12/494805412.db2.gz USVOLZVDCWWBAW-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628326 494805413 /nfs/dbraw/zinc/80/54/13/494805413.db2.gz USVOLZVDCWWBAW-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(Cl)c1 ZINC000026343647 494820273 /nfs/dbraw/zinc/82/02/73/494820273.db2.gz DNQYTZICWUQLKA-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(Cl)c1 ZINC000026343647 494820276 /nfs/dbraw/zinc/82/02/76/494820276.db2.gz DNQYTZICWUQLKA-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO CC(C)CSCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000132145092 494827748 /nfs/dbraw/zinc/82/77/48/494827748.db2.gz PWVSEYHALPCNKT-UHFFFAOYSA-N 1 2 371.528 3.193 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1F)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027275036 494859834 /nfs/dbraw/zinc/85/98/34/494859834.db2.gz CBMQSGWITFXKST-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027275036 494859837 /nfs/dbraw/zinc/85/98/37/494859837.db2.gz CBMQSGWITFXKST-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC ZINC000093478431 494894941 /nfs/dbraw/zinc/89/49/41/494894941.db2.gz XCIQAMNIHGQTAX-HXUWFJFHSA-N 1 2 372.421 3.494 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC ZINC000093478431 494894944 /nfs/dbraw/zinc/89/49/44/494894944.db2.gz XCIQAMNIHGQTAX-HXUWFJFHSA-N 1 2 372.421 3.494 20 5 FGBDLO O=C(CCCc1ccccc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109805218 494920201 /nfs/dbraw/zinc/92/02/01/494920201.db2.gz FMAASSYTQZUYSP-UHFFFAOYSA-N 1 2 367.449 3.262 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110217669 494958322 /nfs/dbraw/zinc/95/83/22/494958322.db2.gz JGPDMSXESJOKOD-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO CSc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000110800647 495010910 /nfs/dbraw/zinc/01/09/10/495010910.db2.gz UUBFRBVSFGFXIQ-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1c(C(=O)Nc2c(C)cc(C)[nH+]c2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000097214093 495028353 /nfs/dbraw/zinc/02/83/53/495028353.db2.gz FVOJSKZSKBWLPA-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000118957610 495058074 /nfs/dbraw/zinc/05/80/74/495058074.db2.gz GTCFHDVLEFPOBM-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119119111 495097473 /nfs/dbraw/zinc/09/74/73/495097473.db2.gz WYILHIKNANNBII-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119119111 495097476 /nfs/dbraw/zinc/09/74/76/495097476.db2.gz WYILHIKNANNBII-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000134524409 495163212 /nfs/dbraw/zinc/16/32/12/495163212.db2.gz CWHIYUKJZRINHF-UHFFFAOYSA-N 1 2 369.421 3.041 20 5 FGBDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000134524409 495163216 /nfs/dbraw/zinc/16/32/16/495163216.db2.gz CWHIYUKJZRINHF-UHFFFAOYSA-N 1 2 369.421 3.041 20 5 FGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000119525926 495183512 /nfs/dbraw/zinc/18/35/12/495183512.db2.gz FYTXRGITXGBBDE-UHFFFAOYSA-N 1 2 355.866 3.038 20 5 FGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000119525926 495183515 /nfs/dbraw/zinc/18/35/15/495183515.db2.gz FYTXRGITXGBBDE-UHFFFAOYSA-N 1 2 355.866 3.038 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc([N+](=O)[O-])c1C ZINC000574407355 505766695 /nfs/dbraw/zinc/76/66/95/505766695.db2.gz LFNOPXLRHGLHLW-UHFFFAOYSA-N 1 2 369.381 3.106 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000129418867 495242488 /nfs/dbraw/zinc/24/24/88/495242488.db2.gz KDHQZZXJOZIAEA-UHFFFAOYSA-N 1 2 361.361 3.443 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129497244 495253534 /nfs/dbraw/zinc/25/35/34/495253534.db2.gz FLEXGJXUDZLDSU-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130404644 495387230 /nfs/dbraw/zinc/38/72/30/495387230.db2.gz MGRWHCQZCIUJFT-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130404644 495387236 /nfs/dbraw/zinc/38/72/36/495387236.db2.gz MGRWHCQZCIUJFT-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130575536 495413602 /nfs/dbraw/zinc/41/36/02/495413602.db2.gz LYZPNXOLMBWLLV-OAHLLOKOSA-N 1 2 368.397 3.322 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130575536 495413606 /nfs/dbraw/zinc/41/36/06/495413606.db2.gz LYZPNXOLMBWLLV-OAHLLOKOSA-N 1 2 368.397 3.322 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000138462513 495462245 /nfs/dbraw/zinc/46/22/45/495462245.db2.gz MPOZHCVZZVWVNA-LBPRGKRZSA-N 1 2 372.385 3.378 20 5 FGBDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131255013 495512605 /nfs/dbraw/zinc/51/26/05/495512605.db2.gz SXDJNMNNQRDGMF-CVEARBPZSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131255013 495512609 /nfs/dbraw/zinc/51/26/09/495512609.db2.gz SXDJNMNNQRDGMF-CVEARBPZSA-N 1 2 367.449 3.261 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107063670 495521528 /nfs/dbraw/zinc/52/15/28/495521528.db2.gz UCICSTYCQJKNIR-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107063670 495521529 /nfs/dbraw/zinc/52/15/29/495521529.db2.gz UCICSTYCQJKNIR-UHFFFAOYSA-N 1 2 351.765 3.118 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000107181259 495523264 /nfs/dbraw/zinc/52/32/64/495523264.db2.gz BYGACWIBACURDH-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO Cc1nn(Cc2ccc(C(=O)Nc3cc[nH+]cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000107291014 495524862 /nfs/dbraw/zinc/52/48/62/495524862.db2.gz NDDUZTDPUICTJI-UHFFFAOYSA-N 1 2 365.393 3.412 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000158542146 495534475 /nfs/dbraw/zinc/53/44/75/495534475.db2.gz YBRWQXKVJAASDG-YOEHRIQHSA-N 1 2 370.409 3.222 20 5 FGBDLO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000158624393 495554324 /nfs/dbraw/zinc/55/43/24/495554324.db2.gz XPWFBJQZERIIKD-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000158624393 495554328 /nfs/dbraw/zinc/55/43/28/495554328.db2.gz XPWFBJQZERIIKD-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585788 495632741 /nfs/dbraw/zinc/63/27/41/495632741.db2.gz BJPNJPLYVCJJTC-QMTHXVAHSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585788 495632739 /nfs/dbraw/zinc/63/27/39/495632739.db2.gz BJPNJPLYVCJJTC-QMTHXVAHSA-N 1 2 370.247 3.416 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000176492080 495671523 /nfs/dbraw/zinc/67/15/23/495671523.db2.gz MNXCBAXFYLRVJC-UHFFFAOYSA-N 1 2 356.407 3.026 20 5 FGBDLO COc1cccc2c1CC[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000182719909 495675416 /nfs/dbraw/zinc/67/54/16/495675416.db2.gz MLTNWQWYOZIZFO-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1CC[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000182719909 495675420 /nfs/dbraw/zinc/67/54/20/495675420.db2.gz MLTNWQWYOZIZFO-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@H]3c3nnc[nH]3)o2)c1 ZINC000182736100 495682866 /nfs/dbraw/zinc/68/28/66/495682866.db2.gz GCYSDMLEKFVYJH-HNNXBMFYSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3c3nnc[nH]3)o2)c1 ZINC000182736100 495682871 /nfs/dbraw/zinc/68/28/71/495682871.db2.gz GCYSDMLEKFVYJH-HNNXBMFYSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@H]3c3nc[nH]n3)o2)c1 ZINC000182736100 495682877 /nfs/dbraw/zinc/68/28/77/495682877.db2.gz GCYSDMLEKFVYJH-HNNXBMFYSA-N 1 2 368.397 3.138 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3c3nc[nH]n3)o2)c1 ZINC000182736100 495682881 /nfs/dbraw/zinc/68/28/81/495682881.db2.gz GCYSDMLEKFVYJH-HNNXBMFYSA-N 1 2 368.397 3.138 20 5 FGBDLO COc1cc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)ccc1[N+](=O)[O-] ZINC000160176662 495901732 /nfs/dbraw/zinc/90/17/32/495901732.db2.gz BKJJUASVVXAJAT-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000174565862 496012497 /nfs/dbraw/zinc/01/24/97/496012497.db2.gz LBYFQJJTPVVOJU-LLVKDONJSA-N 1 2 362.357 3.460 20 5 FGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171924557 496094763 /nfs/dbraw/zinc/09/47/63/496094763.db2.gz PKPXNCOJPDDIMB-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177594483 496125884 /nfs/dbraw/zinc/12/58/84/496125884.db2.gz DEKGHQLSUPNADE-HOCLYGCPSA-N 1 2 357.414 3.035 20 5 FGBDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000187128790 496306075 /nfs/dbraw/zinc/30/60/75/496306075.db2.gz YEOPEKPEYUMBDI-UHFFFAOYSA-N 1 2 368.842 3.332 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Cl)cn1 ZINC000178075438 496317500 /nfs/dbraw/zinc/31/75/00/496317500.db2.gz BUQPLJPCAGLDBG-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Cl)cn1 ZINC000178075438 496317506 /nfs/dbraw/zinc/31/75/06/496317506.db2.gz BUQPLJPCAGLDBG-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153237868 496392836 /nfs/dbraw/zinc/39/28/36/496392836.db2.gz OGRZYYMBPPHTBN-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153237868 496392840 /nfs/dbraw/zinc/39/28/40/496392840.db2.gz OGRZYYMBPPHTBN-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000184607127 496461772 /nfs/dbraw/zinc/46/17/72/496461772.db2.gz OCQDXIJHHKACAI-QMTHXVAHSA-N 1 2 367.789 3.146 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000184655162 496481136 /nfs/dbraw/zinc/48/11/36/496481136.db2.gz GXXPUQLPBIWSDC-UHFFFAOYSA-N 1 2 373.800 3.204 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc([N+](=O)[O-])c(C)c3)c2cc1C ZINC000153620861 496520484 /nfs/dbraw/zinc/52/04/84/496520484.db2.gz PNQIBFQWHMDWLV-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Br)o3)C2)nc1 ZINC000191383834 496745060 /nfs/dbraw/zinc/74/50/60/496745060.db2.gz YXOLJDNTPCKLPE-JTQLQIEISA-N 1 2 367.203 3.032 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)nc1 ZINC000191383834 496745063 /nfs/dbraw/zinc/74/50/63/496745063.db2.gz YXOLJDNTPCKLPE-JTQLQIEISA-N 1 2 367.203 3.032 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000191399629 496750362 /nfs/dbraw/zinc/75/03/62/496750362.db2.gz UDGSXWCDIXPKKL-OAHLLOKOSA-N 1 2 371.441 3.432 20 5 FGBDLO C[C@H]1COCC[N@H+]1CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000188322622 496752729 /nfs/dbraw/zinc/75/27/29/496752729.db2.gz NPWDIJSRQUXOJG-JTQLQIEISA-N 1 2 361.261 3.170 20 5 FGBDLO C[C@H]1COCC[N@@H+]1CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000188322622 496752724 /nfs/dbraw/zinc/75/27/24/496752724.db2.gz NPWDIJSRQUXOJG-JTQLQIEISA-N 1 2 361.261 3.170 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)s1 ZINC000195018362 496792194 /nfs/dbraw/zinc/79/21/94/496792194.db2.gz PBAUAGWPBMWKMR-GOSISDBHSA-N 1 2 360.435 3.315 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC[C@]23CCOC3)s1 ZINC000195018362 496792197 /nfs/dbraw/zinc/79/21/97/496792197.db2.gz PBAUAGWPBMWKMR-GOSISDBHSA-N 1 2 360.435 3.315 20 5 FGBDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191616355 496833754 /nfs/dbraw/zinc/83/37/54/496833754.db2.gz DNXOQGKUBAWJNR-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO COC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000273929629 496962197 /nfs/dbraw/zinc/96/21/97/496962197.db2.gz KGTJGHBSJMSCEE-UHFFFAOYSA-N 1 2 355.354 3.246 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278020867 496974940 /nfs/dbraw/zinc/97/49/40/496974940.db2.gz JTSXUPFRUQUXHU-MOIGAOQCSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278020867 496974946 /nfs/dbraw/zinc/97/49/46/496974946.db2.gz JTSXUPFRUQUXHU-MOIGAOQCSA-N 1 2 356.382 3.074 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000264756188 496979305 /nfs/dbraw/zinc/97/93/05/496979305.db2.gz NBLMCEUKNXQBAP-UHFFFAOYSA-N 1 2 358.427 3.160 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000264756188 496979308 /nfs/dbraw/zinc/97/93/08/496979308.db2.gz NBLMCEUKNXQBAP-UHFFFAOYSA-N 1 2 358.427 3.160 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCC4)o2)c(Cl)c1 ZINC000237820204 497297305 /nfs/dbraw/zinc/29/73/05/497297305.db2.gz XOTWNDUYZJMMNO-UHFFFAOYSA-N 1 2 373.800 3.336 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000279527794 497463106 /nfs/dbraw/zinc/46/31/06/497463106.db2.gz OYIRYELWINKQHT-QWHCGFSZSA-N 1 2 352.398 3.495 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245946692 497580907 /nfs/dbraw/zinc/58/09/07/497580907.db2.gz KOFZRENMXNQJHI-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245946692 497580911 /nfs/dbraw/zinc/58/09/11/497580911.db2.gz KOFZRENMXNQJHI-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO COCc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272470063 497637336 /nfs/dbraw/zinc/63/73/36/497637336.db2.gz ABRMONRZTHISQF-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO O=C(N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272585230 497670658 /nfs/dbraw/zinc/67/06/58/497670658.db2.gz SFORZJRASDHAGA-CYBMUJFWSA-N 1 2 350.325 3.164 20 5 FGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000268223152 497705050 /nfs/dbraw/zinc/70/50/50/497705050.db2.gz CVSRMJPKEJCMHA-ZWNOBZJWSA-N 1 2 366.219 3.036 20 5 FGBDLO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280526219 497780517 /nfs/dbraw/zinc/78/05/17/497780517.db2.gz OPGLVBVYKOYLBO-IBGZPJMESA-N 1 2 373.409 3.020 20 5 FGBDLO CC1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280526219 497780521 /nfs/dbraw/zinc/78/05/21/497780521.db2.gz OPGLVBVYKOYLBO-IBGZPJMESA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299600031 497864508 /nfs/dbraw/zinc/86/45/08/497864508.db2.gz XNUUXFDJAAFQIM-GFCCVEGCSA-N 1 2 360.439 3.205 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000295968353 497871727 /nfs/dbraw/zinc/87/17/27/497871727.db2.gz SFFGWBGNCRWGIV-OAHLLOKOSA-N 1 2 354.366 3.298 20 5 FGBDLO Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301130689 497964680 /nfs/dbraw/zinc/96/46/80/497964680.db2.gz YDOKFYTZGCPPBZ-HNNXBMFYSA-N 1 2 364.409 3.467 20 5 FGBDLO Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)c1 ZINC000301208434 498000495 /nfs/dbraw/zinc/00/04/95/498000495.db2.gz UWMZORZXQDOYCF-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cc(NCCOc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301289381 498040930 /nfs/dbraw/zinc/04/09/30/498040930.db2.gz POLRJZJQHYVABA-UHFFFAOYSA-N 1 2 351.366 3.246 20 5 FGBDLO CCc1cc(N[C@@H]2CCC[C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301334776 498062139 /nfs/dbraw/zinc/06/21/39/498062139.db2.gz BTGAVVZXYONOIX-UKRRQHHQSA-N 1 2 369.425 3.070 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000281356694 498117842 /nfs/dbraw/zinc/11/78/42/498117842.db2.gz CSXHZNHTBOBKTH-UHFFFAOYSA-N 1 2 370.388 3.007 20 5 FGBDLO Cc1cnc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301461607 498119793 /nfs/dbraw/zinc/11/97/93/498119793.db2.gz URBXBTGKXPXVJP-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO Cc1cc2c(cc1C)[C@@H]([N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1)CCO2 ZINC000364783533 498139857 /nfs/dbraw/zinc/13/98/57/498139857.db2.gz KPGAFPCIWUAGTM-INIZCTEOSA-N 1 2 356.426 3.433 20 5 FGBDLO Cc1cc2c(cc1C)[C@@H]([N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1)CCO2 ZINC000364783533 498139865 /nfs/dbraw/zinc/13/98/65/498139865.db2.gz KPGAFPCIWUAGTM-INIZCTEOSA-N 1 2 356.426 3.433 20 5 FGBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)S1 ZINC000301599410 498180787 /nfs/dbraw/zinc/18/07/87/498180787.db2.gz UKCTZFADXCDICG-JTQLQIEISA-N 1 2 374.388 3.227 20 5 FGBDLO Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301601693 498183334 /nfs/dbraw/zinc/18/33/34/498183334.db2.gz VRDIAGGZYAJJCW-NSHDSACASA-N 1 2 354.863 3.170 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000301614899 498187543 /nfs/dbraw/zinc/18/75/43/498187543.db2.gz BANOEOFKEXNFBZ-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301697263 498228361 /nfs/dbraw/zinc/22/83/61/498228361.db2.gz QKYWMFWATWAQBZ-UHFFFAOYSA-N 1 2 354.208 3.217 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000296891912 498239350 /nfs/dbraw/zinc/23/93/50/498239350.db2.gz XFRJMUJDRZHWOO-ZBEGNZNMSA-N 1 2 361.377 3.354 20 5 FGBDLO O=C1CCCN1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289720502 498262407 /nfs/dbraw/zinc/26/24/07/498262407.db2.gz GULCJOWQUNHGMB-UHFFFAOYSA-N 1 2 372.252 3.488 20 5 FGBDLO Cc1cc(N[C@H]2c3ccccc3C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301842482 498288940 /nfs/dbraw/zinc/28/89/40/498288940.db2.gz JWMQNKFWOQCHDD-HKUYNNGSSA-N 1 2 362.389 3.430 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858168 498297670 /nfs/dbraw/zinc/29/76/70/498297670.db2.gz CSXZXKOSMBTMLB-NVXWUHKLSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000301858168 498297679 /nfs/dbraw/zinc/29/76/79/498297679.db2.gz CSXZXKOSMBTMLB-NVXWUHKLSA-N 1 2 362.817 3.127 20 5 FGBDLO COC(=O)c1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)cc(C)c1[N+](=O)[O-] ZINC000361186490 498356063 /nfs/dbraw/zinc/35/60/63/498356063.db2.gz DIEMEJACFNMKDK-ZDUSSCGKSA-N 1 2 358.398 3.184 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000302072314 498397260 /nfs/dbraw/zinc/39/72/60/498397260.db2.gz FOBMDZSTGNDHNF-UHFFFAOYSA-N 1 2 370.409 3.379 20 5 FGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000286477120 498410664 /nfs/dbraw/zinc/41/06/64/498410664.db2.gz YSSDYIVPNWDQNW-UHFFFAOYSA-N 1 2 358.373 3.179 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000302167168 498425081 /nfs/dbraw/zinc/42/50/81/498425081.db2.gz LBRSNGSHJPEGDR-UHFFFAOYSA-N 1 2 358.329 3.051 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302224042 498450841 /nfs/dbraw/zinc/45/08/41/498450841.db2.gz NWLCJPJZXITCCY-UHFFFAOYSA-N 1 2 352.398 3.138 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NC[C@H](c1cccs1)[NH+]1CCOCC1)CCN2 ZINC000302419333 498479041 /nfs/dbraw/zinc/47/90/41/498479041.db2.gz IMRZPKBEMGIWRX-MRXNPFEDSA-N 1 2 374.466 3.110 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365465922 498482294 /nfs/dbraw/zinc/48/22/94/498482294.db2.gz XOHYEAOULWHTHR-GRNBYLDVSA-N 1 2 354.410 3.138 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575961129 506042734 /nfs/dbraw/zinc/04/27/34/506042734.db2.gz MAYMBWLOTASWRM-UHFFFAOYSA-N 1 2 368.418 3.410 20 5 FGBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000302698053 498537179 /nfs/dbraw/zinc/53/71/79/498537179.db2.gz UBLGUDGDIKKJMM-UHFFFAOYSA-N 1 2 353.220 3.389 20 5 FGBDLO CCC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000365583817 498544138 /nfs/dbraw/zinc/54/41/38/498544138.db2.gz ZKMMEOZEECLFPI-UHFFFAOYSA-N 1 2 351.366 3.380 20 5 FGBDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000332120999 498569075 /nfs/dbraw/zinc/56/90/75/498569075.db2.gz HOGBTLGKKXCGBL-NSHDSACASA-N 1 2 365.231 3.001 20 5 FGBDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000332120999 498569082 /nfs/dbraw/zinc/56/90/82/498569082.db2.gz HOGBTLGKKXCGBL-NSHDSACASA-N 1 2 365.231 3.001 20 5 FGBDLO Cc1c(NC(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000363368925 498783459 /nfs/dbraw/zinc/78/34/59/498783459.db2.gz BZHCFTHDMULEBR-UHFFFAOYSA-N 1 2 369.425 3.431 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000298750889 498869940 /nfs/dbraw/zinc/86/99/40/498869940.db2.gz KUOLHXKFXQJNLA-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000298750889 498869942 /nfs/dbraw/zinc/86/99/42/498869942.db2.gz KUOLHXKFXQJNLA-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO CSc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000366811689 499082058 /nfs/dbraw/zinc/08/20/58/499082058.db2.gz RQSFALDWFXLZQN-UHFFFAOYSA-N 1 2 360.439 3.122 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000367284657 499173365 /nfs/dbraw/zinc/17/33/65/499173365.db2.gz FDYUQVQJBPOZGA-ZDUSSCGKSA-N 1 2 351.815 3.096 20 5 FGBDLO Cc1cc(F)c(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000367493253 499205866 /nfs/dbraw/zinc/20/58/66/499205866.db2.gz PGODIBHIYOCTFR-CHWSQXEVSA-N 1 2 358.373 3.148 20 5 FGBDLO Cc1[nH]c(-c2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)[nH+]c1C ZINC000368016382 499255380 /nfs/dbraw/zinc/25/53/80/499255380.db2.gz HLVOTQOOVWFSDI-UHFFFAOYSA-N 1 2 351.366 3.436 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[nH+]1 ZINC000368033060 499257684 /nfs/dbraw/zinc/25/76/84/499257684.db2.gz BXQGQDQJYNRBFQ-UHFFFAOYSA-N 1 2 366.333 3.274 20 5 FGBDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CCC2 ZINC000368084648 499262718 /nfs/dbraw/zinc/26/27/18/499262718.db2.gz HFUXBHSMOUWXOK-INIZCTEOSA-N 1 2 364.833 3.258 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000370952876 499273870 /nfs/dbraw/zinc/27/38/70/499273870.db2.gz IVADGFNMSMCBOL-GFCCVEGCSA-N 1 2 360.439 3.129 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[nH+]1 ZINC000371253798 499302842 /nfs/dbraw/zinc/30/28/42/499302842.db2.gz NWMZMRNIONJTJB-UHFFFAOYSA-N 1 2 370.340 3.450 20 5 FGBDLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000371786064 499365465 /nfs/dbraw/zinc/36/54/65/499365465.db2.gz ABYLNSSHMMXAEO-UHFFFAOYSA-N 1 2 371.368 3.249 20 5 FGBDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000371786064 499365466 /nfs/dbraw/zinc/36/54/66/499365466.db2.gz ABYLNSSHMMXAEO-UHFFFAOYSA-N 1 2 371.368 3.249 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ncccc4F)CC3)nc2c1 ZINC000369675924 499435115 /nfs/dbraw/zinc/43/51/15/499435115.db2.gz KFTXTLISZGHLEC-UHFFFAOYSA-N 1 2 372.356 3.314 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(Cc2ccccc2)C1 ZINC000373136727 499453289 /nfs/dbraw/zinc/45/32/89/499453289.db2.gz DPCLZNRUTNVRNV-UHFFFAOYSA-N 1 2 362.389 3.095 20 5 FGBDLO CCCn1c(C)nnc1C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000378311344 499500719 /nfs/dbraw/zinc/50/07/19/499500719.db2.gz DEACAUQXHSQVAU-UHFFFAOYSA-N 1 2 370.457 3.085 20 5 FGBDLO CCCn1c(C)nnc1C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000378311344 499500721 /nfs/dbraw/zinc/50/07/21/499500721.db2.gz DEACAUQXHSQVAU-UHFFFAOYSA-N 1 2 370.457 3.085 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378316220 499500936 /nfs/dbraw/zinc/50/09/36/499500936.db2.gz NBNXIXGGIGEIEA-UHFFFAOYSA-N 1 2 360.439 3.450 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378316220 499500937 /nfs/dbraw/zinc/50/09/37/499500937.db2.gz NBNXIXGGIGEIEA-UHFFFAOYSA-N 1 2 360.439 3.450 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2cccnc2)CC1 ZINC000375903868 499566983 /nfs/dbraw/zinc/56/69/83/499566983.db2.gz QBAJIXOUBXTUSZ-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000375903868 499566984 /nfs/dbraw/zinc/56/69/84/499566984.db2.gz QBAJIXOUBXTUSZ-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2cn(CCOC)nc21 ZINC000376503860 499613354 /nfs/dbraw/zinc/61/33/54/499613354.db2.gz DSSQICDHUZABSL-QGZVFWFLSA-N 1 2 374.441 3.004 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000376621652 499623915 /nfs/dbraw/zinc/62/39/15/499623915.db2.gz GCMKBJFDRJFZNI-CYBMUJFWSA-N 1 2 356.426 3.205 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000376621652 499623916 /nfs/dbraw/zinc/62/39/16/499623916.db2.gz GCMKBJFDRJFZNI-CYBMUJFWSA-N 1 2 356.426 3.205 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000376831371 499638542 /nfs/dbraw/zinc/63/85/42/499638542.db2.gz ITZLFSKEYPDEJK-LLVKDONJSA-N 1 2 360.439 3.106 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000376831371 499638543 /nfs/dbraw/zinc/63/85/43/499638543.db2.gz ITZLFSKEYPDEJK-LLVKDONJSA-N 1 2 360.439 3.106 20 5 FGBDLO C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000377265706 499675063 /nfs/dbraw/zinc/67/50/63/499675063.db2.gz HJEDWMSXTWHVAE-UHFFFAOYSA-N 1 2 374.529 3.223 20 5 FGBDLO CSc1cccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000411024120 499690774 /nfs/dbraw/zinc/69/07/74/499690774.db2.gz UOHRGWREFBTNCP-CQSZACIVSA-N 1 2 360.439 3.274 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@]2(CCOC2)O1 ZINC000573270564 506158592 /nfs/dbraw/zinc/15/85/92/506158592.db2.gz QQQWLLJWLVUBKF-MJGOQNOKSA-N 1 2 364.442 3.152 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@]2(CCOC2)O1 ZINC000573270564 506158595 /nfs/dbraw/zinc/15/85/95/506158595.db2.gz QQQWLLJWLVUBKF-MJGOQNOKSA-N 1 2 364.442 3.152 20 5 FGBDLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC000411762677 499787761 /nfs/dbraw/zinc/78/77/61/499787761.db2.gz XNEAVKGDNUDUDJ-UHFFFAOYSA-N 1 2 373.409 3.034 20 5 FGBDLO COc1cc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000411910221 499802959 /nfs/dbraw/zinc/80/29/59/499802959.db2.gz UIECDUYEVGVCBH-GFCCVEGCSA-N 1 2 350.415 3.298 20 5 FGBDLO COc1cc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000411910221 499802960 /nfs/dbraw/zinc/80/29/60/499802960.db2.gz UIECDUYEVGVCBH-GFCCVEGCSA-N 1 2 350.415 3.298 20 5 FGBDLO CC(C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000570405649 506161070 /nfs/dbraw/zinc/16/10/70/506161070.db2.gz LLHZUSVMFQSYDK-LBPRGKRZSA-N 1 2 354.313 3.046 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)CCC2 ZINC000412201569 499833363 /nfs/dbraw/zinc/83/33/63/499833363.db2.gz CNHKAAZYYKSGMT-HNNXBMFYSA-N 1 2 372.425 3.194 20 5 FGBDLO CCc1n[nH]c(=O)c(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)c1CC ZINC000413191049 499924907 /nfs/dbraw/zinc/92/49/07/499924907.db2.gz CAIWFIDABLOJRG-UHFFFAOYSA-N 1 2 353.382 3.376 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413234386 499930814 /nfs/dbraw/zinc/93/08/14/499930814.db2.gz PDJLBJYTIKNSHQ-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCCOC2)O1 ZINC000413274219 499935430 /nfs/dbraw/zinc/93/54/30/499935430.db2.gz WFYLGZWKQSJZCO-LJQANCHMSA-N 1 2 357.410 3.307 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](c4nc(C5CC5)no4)C3)c2c1 ZINC000413273685 499935499 /nfs/dbraw/zinc/93/54/99/499935499.db2.gz BTPXUAAJAWVMKR-CYBMUJFWSA-N 1 2 351.366 3.397 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSC[C@H]1C1CCC1 ZINC000416117918 499950011 /nfs/dbraw/zinc/95/00/11/499950011.db2.gz VSFZBPZZIDLKDP-KRWDZBQOSA-N 1 2 372.450 3.138 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)Cc2ccccc2O1 ZINC000429133559 500009383 /nfs/dbraw/zinc/00/93/83/500009383.db2.gz IBUWTRLKRXNPQI-ZDUSSCGKSA-N 1 2 356.378 3.244 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)Cc2ccccc2O1 ZINC000429133559 500009386 /nfs/dbraw/zinc/00/93/86/500009386.db2.gz IBUWTRLKRXNPQI-ZDUSSCGKSA-N 1 2 356.378 3.244 20 5 FGBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc(C)[nH+]1 ZINC000421577444 500085721 /nfs/dbraw/zinc/08/57/21/500085721.db2.gz OTAGSMLDUULNJR-UHFFFAOYSA-N 1 2 351.309 3.138 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000429568614 500105501 /nfs/dbraw/zinc/10/55/01/500105501.db2.gz JURKFEJFRBKFSQ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000429568614 500105506 /nfs/dbraw/zinc/10/55/06/500105506.db2.gz JURKFEJFRBKFSQ-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458860 500112191 /nfs/dbraw/zinc/11/21/91/500112191.db2.gz NNTQSGZAABTFHE-SNVBAGLBSA-N 1 2 353.220 3.284 20 5 FGBDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458860 500112193 /nfs/dbraw/zinc/11/21/93/500112193.db2.gz NNTQSGZAABTFHE-SNVBAGLBSA-N 1 2 353.220 3.284 20 5 FGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC(OC(C)(C)C)C1 ZINC000421689942 500117818 /nfs/dbraw/zinc/11/78/18/500117818.db2.gz OMAKOLCYZLYYHH-UHFFFAOYSA-N 1 2 372.425 3.199 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419309534 500351550 /nfs/dbraw/zinc/35/15/50/500351550.db2.gz GMSSKJKSSWGCNH-QGZVFWFLSA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419309534 500351553 /nfs/dbraw/zinc/35/15/53/500351553.db2.gz GMSSKJKSSWGCNH-QGZVFWFLSA-N 1 2 369.421 3.385 20 5 FGBDLO COC(=O)C1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCC1 ZINC000432010427 500455306 /nfs/dbraw/zinc/45/53/06/500455306.db2.gz CTCBFDQULHNQBV-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO COC(=O)C1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCC1 ZINC000432010427 500455309 /nfs/dbraw/zinc/45/53/09/500455309.db2.gz CTCBFDQULHNQBV-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929238 500533155 /nfs/dbraw/zinc/53/31/55/500533155.db2.gz QDWMBLJCNRUMPJ-CHWSQXEVSA-N 1 2 374.441 3.413 20 5 FGBDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929238 500533157 /nfs/dbraw/zinc/53/31/57/500533157.db2.gz QDWMBLJCNRUMPJ-CHWSQXEVSA-N 1 2 374.441 3.413 20 5 FGBDLO Cc1cc(N[C@@H]2Cc3cccc(O)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000428659851 500539264 /nfs/dbraw/zinc/53/92/64/500539264.db2.gz JKMYUANMEMOEDM-OAHLLOKOSA-N 1 2 362.389 3.067 20 5 FGBDLO COc1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])ccc1C ZINC000447807936 500667081 /nfs/dbraw/zinc/66/70/81/500667081.db2.gz SBVOVKSSBNZBAQ-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO C[C@H]1C[C@@H](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447812349 500667801 /nfs/dbraw/zinc/66/78/01/500667801.db2.gz RDNMEAPKDDIEJH-HOTGVXAUSA-N 1 2 363.458 3.044 20 5 FGBDLO Cc1ccsc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811351 500667845 /nfs/dbraw/zinc/66/78/45/500667845.db2.gz DXGMJFHYVCDUPQ-UHFFFAOYSA-N 1 2 361.467 3.452 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCc2ccccc2C1 ZINC000447817969 500669874 /nfs/dbraw/zinc/66/98/74/500669874.db2.gz UOHTWAISIXOQIW-IBGZPJMESA-N 1 2 367.449 3.396 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000447847735 500677682 /nfs/dbraw/zinc/67/76/82/500677682.db2.gz HLMRWWXFNCMQFZ-HNNXBMFYSA-N 1 2 374.384 3.452 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000447847735 500677684 /nfs/dbraw/zinc/67/76/84/500677684.db2.gz HLMRWWXFNCMQFZ-HNNXBMFYSA-N 1 2 374.384 3.452 20 5 FGBDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000438305854 500766875 /nfs/dbraw/zinc/76/68/75/500766875.db2.gz OKCDEFOBNCEHOW-KRWDZBQOSA-N 1 2 362.813 3.165 20 5 FGBDLO Cn1cccc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448614439 500785852 /nfs/dbraw/zinc/78/58/52/500785852.db2.gz HXUDGSJOHNCIHD-MRXNPFEDSA-N 1 2 365.393 3.096 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1C ZINC000439238030 500873526 /nfs/dbraw/zinc/87/35/26/500873526.db2.gz PJQWHIGRCPVAPV-UHFFFAOYSA-N 1 2 351.366 3.151 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000445264141 500962460 /nfs/dbraw/zinc/96/24/60/500962460.db2.gz SANWSQQUTJYUIJ-UHFFFAOYSA-N 1 2 362.817 3.062 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nnc(C(C)C)[nH]3)o2)c([N+](=O)[O-])c1 ZINC000449405424 500995518 /nfs/dbraw/zinc/99/55/18/500995518.db2.gz LLHRNGWEMYWTDJ-UHFFFAOYSA-N 1 2 371.397 3.395 20 5 FGBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000445662788 501016802 /nfs/dbraw/zinc/01/68/02/501016802.db2.gz DHKZQFLRDVYVPS-UHFFFAOYSA-N 1 2 352.354 3.494 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824614 501037880 /nfs/dbraw/zinc/03/78/80/501037880.db2.gz NMIOBYQWBKYDMJ-YVYLTUATSA-N 1 2 370.409 3.464 20 5 FGBDLO C/C(=C/c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445824614 501037883 /nfs/dbraw/zinc/03/78/83/501037883.db2.gz NMIOBYQWBKYDMJ-YVYLTUATSA-N 1 2 370.409 3.464 20 5 FGBDLO CC(C)c1ccc(C[NH2+]Cc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000449707130 501066236 /nfs/dbraw/zinc/06/62/36/501066236.db2.gz CSPCYJHXBNRIIQ-UHFFFAOYSA-N 1 2 352.398 3.188 20 5 FGBDLO CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000436158187 501080537 /nfs/dbraw/zinc/08/05/37/501080537.db2.gz CKTBVNVGCNACBF-YGRLFVJLSA-N 1 2 370.331 3.487 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735383 501159537 /nfs/dbraw/zinc/15/95/37/501159537.db2.gz KBQRJQWHERJQPQ-INIZCTEOSA-N 1 2 367.449 3.390 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735383 501159541 /nfs/dbraw/zinc/15/95/41/501159541.db2.gz KBQRJQWHERJQPQ-INIZCTEOSA-N 1 2 367.449 3.390 20 5 FGBDLO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)CC1 ZINC000436901088 501229622 /nfs/dbraw/zinc/22/96/22/501229622.db2.gz PTKCZOSGAIPERQ-UHFFFAOYSA-N 1 2 361.442 3.073 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402682 501284365 /nfs/dbraw/zinc/28/43/65/501284365.db2.gz BYYTWMWHTUNTBD-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402682 501284369 /nfs/dbraw/zinc/28/43/69/501284369.db2.gz BYYTWMWHTUNTBD-AAEUAGOBSA-N 1 2 371.359 3.147 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457713581 501293396 /nfs/dbraw/zinc/29/33/96/501293396.db2.gz BOFQGXKGTVGTHS-UHFFFAOYSA-N 1 2 351.472 3.165 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000451549100 501319710 /nfs/dbraw/zinc/31/97/10/501319710.db2.gz OXYGRIFSBVLZKZ-MRXNPFEDSA-N 1 2 372.425 3.251 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)cc1 ZINC000451549100 501319714 /nfs/dbraw/zinc/31/97/14/501319714.db2.gz OXYGRIFSBVLZKZ-MRXNPFEDSA-N 1 2 372.425 3.251 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457859487 501323359 /nfs/dbraw/zinc/32/33/59/501323359.db2.gz NTUTXBXJDWIYPN-UHFFFAOYSA-N 1 2 362.455 3.049 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451980742 501413123 /nfs/dbraw/zinc/41/31/23/501413123.db2.gz REVIHZZMGNEZMD-INIZCTEOSA-N 1 2 369.874 3.406 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451980742 501413124 /nfs/dbraw/zinc/41/31/24/501413124.db2.gz REVIHZZMGNEZMD-INIZCTEOSA-N 1 2 369.874 3.406 20 5 FGBDLO O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452300073 501473486 /nfs/dbraw/zinc/47/34/86/501473486.db2.gz KFKXHADWLABVFV-ZDUSSCGKSA-N 1 2 364.352 3.336 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)cc1SC ZINC000456829646 501607017 /nfs/dbraw/zinc/60/70/17/501607017.db2.gz CVORQOXWQKNJSR-UHFFFAOYSA-N 1 2 361.423 3.267 20 5 FGBDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459500360 501664884 /nfs/dbraw/zinc/66/48/84/501664884.db2.gz BECJUYGKYKERFO-UHFFFAOYSA-N 1 2 355.442 3.139 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511146 501666830 /nfs/dbraw/zinc/66/68/30/501666830.db2.gz XWPKVJZUTSYMBF-UONOGXRCSA-N 1 2 374.466 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511146 501666831 /nfs/dbraw/zinc/66/68/31/501666831.db2.gz XWPKVJZUTSYMBF-UONOGXRCSA-N 1 2 374.466 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511141 501666866 /nfs/dbraw/zinc/66/68/66/501666866.db2.gz XWPKVJZUTSYMBF-KBPBESRZSA-N 1 2 374.466 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511141 501666867 /nfs/dbraw/zinc/66/68/67/501666867.db2.gz XWPKVJZUTSYMBF-KBPBESRZSA-N 1 2 374.466 3.267 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470637048 501751517 /nfs/dbraw/zinc/75/15/17/501751517.db2.gz XYXCLJGHPFMNMK-PWSUYJOCSA-N 1 2 368.315 3.193 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)nc1-c1ccc(F)cc1 ZINC000485406191 501811500 /nfs/dbraw/zinc/81/15/00/501811500.db2.gz FOVMKRRZBLNHDI-UHFFFAOYSA-N 1 2 363.352 3.478 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000471045034 501901262 /nfs/dbraw/zinc/90/12/62/501901262.db2.gz QDFPTOVMJCJRMF-CYBMUJFWSA-N 1 2 365.384 3.065 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000464282550 501943065 /nfs/dbraw/zinc/94/30/65/501943065.db2.gz ZLDZOULVKONARY-UHFFFAOYSA-N 1 2 368.368 3.251 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000478487764 501999087 /nfs/dbraw/zinc/99/90/87/501999087.db2.gz YDVBKSXFTVVRKU-UHFFFAOYSA-N 1 2 367.409 3.061 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)cc1 ZINC000464780391 502092654 /nfs/dbraw/zinc/09/26/54/502092654.db2.gz WPGPGPMEQRWWKS-UHFFFAOYSA-N 1 2 373.384 3.216 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000468606780 502123418 /nfs/dbraw/zinc/12/34/18/502123418.db2.gz AYJGDBOIIUOKMO-VBKFSLOCSA-N 1 2 368.437 3.337 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)ccc1[N+](=O)[O-] ZINC000475493971 502189263 /nfs/dbraw/zinc/18/92/63/502189263.db2.gz HSBDUXIGBHIZKD-UHFFFAOYSA-N 1 2 373.457 3.093 20 5 FGBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461778165 502198501 /nfs/dbraw/zinc/19/85/01/502198501.db2.gz RYALIANUDGABAT-UHFFFAOYSA-N 1 2 350.419 3.211 20 5 FGBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461778165 502198508 /nfs/dbraw/zinc/19/85/08/502198508.db2.gz RYALIANUDGABAT-UHFFFAOYSA-N 1 2 350.419 3.211 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483238995 502323188 /nfs/dbraw/zinc/32/31/88/502323188.db2.gz DTFMHSSOKSEVGD-ZDUSSCGKSA-N 1 2 368.393 3.169 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000483520102 502419180 /nfs/dbraw/zinc/41/91/80/502419180.db2.gz QTSIDWWEFNAIOD-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000483520102 502419182 /nfs/dbraw/zinc/41/91/82/502419182.db2.gz QTSIDWWEFNAIOD-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO Cc1cc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000599079986 506313340 /nfs/dbraw/zinc/31/33/40/506313340.db2.gz IIGNCVJCRUUZOS-UHFFFAOYSA-N 1 2 364.409 3.454 20 5 FGBDLO C[C@@H]1CN(CC(F)(F)F)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599088376 506318092 /nfs/dbraw/zinc/31/80/92/506318092.db2.gz QNLFSPZKNFMWQS-GFCCVEGCSA-N 1 2 368.359 3.463 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000466272379 502521540 /nfs/dbraw/zinc/52/15/40/502521540.db2.gz XDGHNIGXZOONNF-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487932814 502571331 /nfs/dbraw/zinc/57/13/31/502571331.db2.gz SRNDZQVOCAPXDL-UHFFFAOYSA-N 1 2 360.373 3.452 20 5 FGBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000599100247 506322799 /nfs/dbraw/zinc/32/27/99/506322799.db2.gz KZLOFINBMSVXNG-LLVKDONJSA-N 1 2 363.215 3.450 20 5 FGBDLO Cn1c2ccccc2[nH+]c1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473514498 502618068 /nfs/dbraw/zinc/61/80/68/502618068.db2.gz SFJWJTWLNSBSDV-UHFFFAOYSA-N 1 2 361.405 3.496 20 5 FGBDLO CCN(CC)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000488089546 502623608 /nfs/dbraw/zinc/62/36/08/502623608.db2.gz MUKBJRIEMRBAAZ-UHFFFAOYSA-N 1 2 351.410 3.418 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857677 506329687 /nfs/dbraw/zinc/32/96/87/506329687.db2.gz XPDTZQLTQKTJGC-INIZCTEOSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857677 506329689 /nfs/dbraw/zinc/32/96/89/506329689.db2.gz XPDTZQLTQKTJGC-INIZCTEOSA-N 1 2 354.410 3.116 20 5 FGBDLO COC(=O)c1c(Cl)c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000596258202 506332169 /nfs/dbraw/zinc/33/21/69/506332169.db2.gz XERSKYHMIUYOTJ-SCZZXKLOSA-N 1 2 350.762 3.349 20 5 FGBDLO COc1c(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])oc2ccccc21 ZINC000473987006 502771947 /nfs/dbraw/zinc/77/19/47/502771947.db2.gz FBERILQUZJOBRB-UHFFFAOYSA-N 1 2 358.350 3.354 20 5 FGBDLO Cc1[nH+]c2cc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)ccc2n1C1CC1 ZINC000596264353 506333606 /nfs/dbraw/zinc/33/36/06/506333606.db2.gz MPWMDOSWAZPZHN-UHFFFAOYSA-N 1 2 365.393 3.299 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000489000209 502857302 /nfs/dbraw/zinc/85/73/02/502857302.db2.gz DJQHYTIPGATGIG-IUODEOHRSA-N 1 2 374.828 3.032 20 5 FGBDLO Cc1cc(N[C@@H](C)c2ccncc2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509432499 502902206 /nfs/dbraw/zinc/90/22/06/502902206.db2.gz ZQJYAQJNAICTRB-LBPRGKRZSA-N 1 2 353.357 3.489 20 5 FGBDLO Cc1cc(N[C@H]2CCCc3c2cnn3C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489304392 502923731 /nfs/dbraw/zinc/92/37/31/502923731.db2.gz HSEUPIYXZQJNLO-INIZCTEOSA-N 1 2 364.409 3.005 20 5 FGBDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513708416 503005890 /nfs/dbraw/zinc/00/58/90/503005890.db2.gz RPRWRQNOMJCHCK-GUYCJALGSA-N 1 2 374.441 3.128 20 5 FGBDLO O=C(C[NH2+]C1(C(F)F)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000510159481 503061648 /nfs/dbraw/zinc/06/16/48/503061648.db2.gz LJPQJMWECOFJEG-UHFFFAOYSA-N 1 2 353.369 3.042 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000513991490 503062118 /nfs/dbraw/zinc/06/21/18/503062118.db2.gz HDTJEAGLNTYXBI-QGZVFWFLSA-N 1 2 359.813 3.343 20 5 FGBDLO CCOCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506444023 503115720 /nfs/dbraw/zinc/11/57/20/503115720.db2.gz OGJSDBSAYQBSIM-UHFFFAOYSA-N 1 2 359.426 3.009 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593044578 506357014 /nfs/dbraw/zinc/35/70/14/506357014.db2.gz HXOPYDWKHMOPGS-UHFFFAOYSA-N 1 2 355.232 3.094 20 5 FGBDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000510856209 503205296 /nfs/dbraw/zinc/20/52/96/503205296.db2.gz FWHMFQBBKHIROB-NSHDSACASA-N 1 2 356.382 3.339 20 5 FGBDLO Cc1nn2c(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c(C)nc2s1 ZINC000507170276 503242020 /nfs/dbraw/zinc/24/20/20/503242020.db2.gz MVLSRKJWQDTNLR-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO Cc1nn2c(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c(C)nc2s1 ZINC000507170276 503242023 /nfs/dbraw/zinc/24/20/23/503242023.db2.gz MVLSRKJWQDTNLR-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266965 503264470 /nfs/dbraw/zinc/26/44/70/503264470.db2.gz ZKEGEDKQFGMDJJ-SFHVURJKSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266965 503264471 /nfs/dbraw/zinc/26/44/71/503264471.db2.gz ZKEGEDKQFGMDJJ-SFHVURJKSA-N 1 2 369.421 3.088 20 5 FGBDLO Cc1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000599178214 506361366 /nfs/dbraw/zinc/36/13/66/506361366.db2.gz DULNLOAQAFXNCT-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503199298 503364688 /nfs/dbraw/zinc/36/46/88/503364688.db2.gz XKJNOZKTKXOMTA-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503199298 503364694 /nfs/dbraw/zinc/36/46/94/503364694.db2.gz XKJNOZKTKXOMTA-HNNXBMFYSA-N 1 2 371.437 3.255 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957985 506367388 /nfs/dbraw/zinc/36/73/88/506367388.db2.gz WLRDWFHPXRNVEK-UHFFFAOYSA-N 1 2 374.466 3.253 20 5 FGBDLO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492469937 503371564 /nfs/dbraw/zinc/37/15/64/503371564.db2.gz ZDDTUGATORQOTK-MRXNPFEDSA-N 1 2 354.341 3.319 20 5 FGBDLO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492974599 503397470 /nfs/dbraw/zinc/39/74/70/503397470.db2.gz YPJZFPWZFODTPV-SFHVURJKSA-N 1 2 350.378 3.108 20 5 FGBDLO CC[N@H+](CCCNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000516765802 503582700 /nfs/dbraw/zinc/58/27/00/503582700.db2.gz REZGQKVOSQVJES-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO CC[N@@H+](CCCNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000516765802 503582703 /nfs/dbraw/zinc/58/27/03/503582703.db2.gz REZGQKVOSQVJES-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000536663266 503666762 /nfs/dbraw/zinc/66/67/62/503666762.db2.gz AWVJWIUGYYMFTD-SFDCACGMSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000536663266 503666767 /nfs/dbraw/zinc/66/67/67/503666767.db2.gz AWVJWIUGYYMFTD-SFDCACGMSA-N 1 2 350.465 3.276 20 5 FGBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 ZINC000543505327 503796539 /nfs/dbraw/zinc/79/65/39/503796539.db2.gz POMCJQNBVXJTQN-GFCCVEGCSA-N 1 2 356.386 3.273 20 5 FGBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543781806 503890477 /nfs/dbraw/zinc/89/04/77/503890477.db2.gz TXFGXYXLYSEJJH-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543781806 503890483 /nfs/dbraw/zinc/89/04/83/503890483.db2.gz TXFGXYXLYSEJJH-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518034146 503895039 /nfs/dbraw/zinc/89/50/39/503895039.db2.gz HDQYGNPRKUXEHI-INIZCTEOSA-N 1 2 372.425 3.202 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000530374738 503941648 /nfs/dbraw/zinc/94/16/48/503941648.db2.gz BWNQFPWYPXXRFJ-KBPBESRZSA-N 1 2 357.414 3.359 20 5 FGBDLO Cc1cc(N2CCC(CCCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000541112282 504012260 /nfs/dbraw/zinc/01/22/60/504012260.db2.gz YYPGBTCRWOLSGH-UHFFFAOYSA-N 1 2 356.426 3.349 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237306 504054988 /nfs/dbraw/zinc/05/49/88/504054988.db2.gz FSUVHWPKOWOJBG-UHFFFAOYSA-N 1 2 360.389 3.263 20 5 FGBDLO CCc1cc(NC[C@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537822959 504055085 /nfs/dbraw/zinc/05/50/85/504055085.db2.gz MXTBBVWXGVTZSS-KBPBESRZSA-N 1 2 356.426 3.263 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541252220 504061442 /nfs/dbraw/zinc/06/14/42/504061442.db2.gz IDGQJBYPKGJICJ-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO C[C@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541351224 504102141 /nfs/dbraw/zinc/10/21/41/504102141.db2.gz NGROQLDBHQJULZ-IBGZPJMESA-N 1 2 374.462 3.032 20 5 FGBDLO C[C@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541351224 504102147 /nfs/dbraw/zinc/10/21/47/504102147.db2.gz NGROQLDBHQJULZ-IBGZPJMESA-N 1 2 374.462 3.032 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)nc2c1 ZINC000547853054 504248884 /nfs/dbraw/zinc/24/88/84/504248884.db2.gz ZGWOPHZNDPSLMQ-MRXNPFEDSA-N 1 2 374.441 3.021 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000541786357 504253788 /nfs/dbraw/zinc/25/37/88/504253788.db2.gz MVARPJFZNSEGFO-IBGZPJMESA-N 1 2 364.442 3.393 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000541786357 504253793 /nfs/dbraw/zinc/25/37/93/504253793.db2.gz MVARPJFZNSEGFO-IBGZPJMESA-N 1 2 364.442 3.393 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[nH+]1 ZINC000534985098 504301850 /nfs/dbraw/zinc/30/18/50/504301850.db2.gz XKTVZPPBLOKFEF-UHFFFAOYSA-N 1 2 367.409 3.247 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000542014119 504336294 /nfs/dbraw/zinc/33/62/94/504336294.db2.gz WTLZWXHBVVTMHL-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000542014119 504336297 /nfs/dbraw/zinc/33/62/97/504336297.db2.gz WTLZWXHBVVTMHL-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000542073003 504355858 /nfs/dbraw/zinc/35/58/58/504355858.db2.gz MUQFMHNRTVICHH-UHFFFAOYSA-N 1 2 352.350 3.101 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000538749482 504356514 /nfs/dbraw/zinc/35/65/14/504356514.db2.gz OTMKZKBHPNHRJL-OAHLLOKOSA-N 1 2 362.348 3.129 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548463490 504455189 /nfs/dbraw/zinc/45/51/89/504455189.db2.gz LONQOIFFAFTOPI-UHFFFAOYSA-N 1 2 364.405 3.228 20 5 FGBDLO COCCOc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000520297200 504458061 /nfs/dbraw/zinc/45/80/61/504458061.db2.gz NVZPDTYIVKTFHI-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COCCOc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000520297200 504458066 /nfs/dbraw/zinc/45/80/66/504458066.db2.gz NVZPDTYIVKTFHI-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH+]1 ZINC000531930474 504478211 /nfs/dbraw/zinc/47/82/11/504478211.db2.gz VQWQIEPBJLSZOA-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO Cc1cccn2cc(Cc3noc(COc4ccccc4[N+](=O)[O-])n3)[nH+]c12 ZINC000545685934 504562757 /nfs/dbraw/zinc/56/27/57/504562757.db2.gz QTAWVBQHOMLJFZ-UHFFFAOYSA-N 1 2 365.349 3.104 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532899639 504772161 /nfs/dbraw/zinc/77/21/61/504772161.db2.gz AJNWUDIUCVMHRN-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532899639 504772162 /nfs/dbraw/zinc/77/21/62/504772162.db2.gz AJNWUDIUCVMHRN-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532899640 504772314 /nfs/dbraw/zinc/77/23/14/504772314.db2.gz AJNWUDIUCVMHRN-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532899640 504772315 /nfs/dbraw/zinc/77/23/15/504772315.db2.gz AJNWUDIUCVMHRN-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000562403386 504808889 /nfs/dbraw/zinc/80/88/89/504808889.db2.gz KMWQWGBNZQECDN-AWEZNQCLSA-N 1 2 350.378 3.200 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565174050 504816679 /nfs/dbraw/zinc/81/66/79/504816679.db2.gz RZLUDSSKLZUFGL-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565174050 504816682 /nfs/dbraw/zinc/81/66/82/504816682.db2.gz RZLUDSSKLZUFGL-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000549671748 504871314 /nfs/dbraw/zinc/87/13/14/504871314.db2.gz IIVUBDQPCRGHOI-UHFFFAOYSA-N 1 2 364.405 3.335 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000549671748 504871315 /nfs/dbraw/zinc/87/13/15/504871315.db2.gz IIVUBDQPCRGHOI-UHFFFAOYSA-N 1 2 364.405 3.335 20 5 FGBDLO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000549750679 504888405 /nfs/dbraw/zinc/88/84/05/504888405.db2.gz NEAJXCDMKLOWKC-AWEZNQCLSA-N 1 2 355.394 3.151 20 5 FGBDLO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000549750679 504888407 /nfs/dbraw/zinc/88/84/07/504888407.db2.gz NEAJXCDMKLOWKC-AWEZNQCLSA-N 1 2 355.394 3.151 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000556520243 504896002 /nfs/dbraw/zinc/89/60/02/504896002.db2.gz SOTGRDDYVIPQIG-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549846748 504915616 /nfs/dbraw/zinc/91/56/16/504915616.db2.gz COVKSDFDVMQXOV-UHFFFAOYSA-N 1 2 365.393 3.046 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549846748 504915617 /nfs/dbraw/zinc/91/56/17/504915617.db2.gz COVKSDFDVMQXOV-UHFFFAOYSA-N 1 2 365.393 3.046 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000549885489 504924831 /nfs/dbraw/zinc/92/48/31/504924831.db2.gz WBRPACRCLGFDDO-ZIAGYGMSSA-N 1 2 362.373 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000549885489 504924834 /nfs/dbraw/zinc/92/48/34/504924834.db2.gz WBRPACRCLGFDDO-ZIAGYGMSSA-N 1 2 362.373 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc(N4CCCC4)nc[nH+]3)c2c1 ZINC000565592090 504931970 /nfs/dbraw/zinc/93/19/70/504931970.db2.gz ZYKCVLBMCVWJNN-UHFFFAOYSA-N 1 2 352.398 3.121 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc(N4CCCC4)[nH+]cn3)c2c1 ZINC000565592090 504931975 /nfs/dbraw/zinc/93/19/75/504931975.db2.gz ZYKCVLBMCVWJNN-UHFFFAOYSA-N 1 2 352.398 3.121 20 5 FGBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553602482 504959778 /nfs/dbraw/zinc/95/97/78/504959778.db2.gz XSFCILAIXOQBOB-JQWIXIFHSA-N 1 2 360.241 3.201 20 5 FGBDLO Cc1cc(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(C)[nH+]1 ZINC000562931657 504991040 /nfs/dbraw/zinc/99/10/40/504991040.db2.gz KTPGCZGNUXAOFQ-UHFFFAOYSA-N 1 2 367.409 3.130 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000556873060 505001785 /nfs/dbraw/zinc/00/17/85/505001785.db2.gz SHGONXOUFDHSMR-QGZVFWFLSA-N 1 2 358.348 3.486 20 5 FGBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000558273614 505350496 /nfs/dbraw/zinc/35/04/96/505350496.db2.gz ROWNIKOBDUMZSV-UHFFFAOYSA-N 1 2 366.362 3.038 20 5 FGBDLO CN(C)c1ccccc1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552275160 505447417 /nfs/dbraw/zinc/44/74/17/505447417.db2.gz MZCUDOBIALMCIF-LJQANCHMSA-N 1 2 365.437 3.274 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564919760 505558412 /nfs/dbraw/zinc/55/84/12/505558412.db2.gz PBVLBBSESWTGHF-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564919760 505558416 /nfs/dbraw/zinc/55/84/16/505558416.db2.gz PBVLBBSESWTGHF-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO Cc1cc(N2CCC[C@@H](C)[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596440598 506405978 /nfs/dbraw/zinc/40/59/78/506405978.db2.gz DOBDVNCVCGQGPN-DYVFJYSZSA-N 1 2 356.426 3.348 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649587 506510020 /nfs/dbraw/zinc/51/00/20/506510020.db2.gz CQVDKZFKAXZYSI-OALUTQOASA-N 1 2 363.421 3.277 20 5 FGBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000603839365 506630284 /nfs/dbraw/zinc/63/02/84/506630284.db2.gz VSDMJVXMZJFGHP-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CC(C)NC(=O)c1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000589800049 506650722 /nfs/dbraw/zinc/65/07/22/506650722.db2.gz PGPHXKCMWYKHGU-UHFFFAOYSA-N 1 2 367.409 3.264 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000590053739 506717834 /nfs/dbraw/zinc/71/78/34/506717834.db2.gz JVPCNCPFQVHOCO-CYBMUJFWSA-N 1 2 356.378 3.165 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000590053739 506717835 /nfs/dbraw/zinc/71/78/35/506717835.db2.gz JVPCNCPFQVHOCO-CYBMUJFWSA-N 1 2 356.378 3.165 20 5 FGBDLO Cc1ccn2cc(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000604128333 506725093 /nfs/dbraw/zinc/72/50/93/506725093.db2.gz VZDAOCCKOMOEQA-ZDUSSCGKSA-N 1 2 353.382 3.111 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408824 506822739 /nfs/dbraw/zinc/82/27/39/506822739.db2.gz VUKPXCGFEFBMDN-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604433322 506830056 /nfs/dbraw/zinc/83/00/56/506830056.db2.gz CYICWCOVBVCNTC-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604437921 506832583 /nfs/dbraw/zinc/83/25/83/506832583.db2.gz BQFINPINSFOTQX-CYBMUJFWSA-N 1 2 351.366 3.009 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccccc1[N+](=O)[O-] ZINC000593971291 506859134 /nfs/dbraw/zinc/85/91/34/506859134.db2.gz XIPTXDWXTBAQCJ-JTQLQIEISA-N 1 2 356.304 3.177 20 5 FGBDLO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])CC2 ZINC000597703441 507067724 /nfs/dbraw/zinc/06/77/24/507067724.db2.gz GBXYWBFLQVWWOH-UHFFFAOYSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000613499534 507120684 /nfs/dbraw/zinc/12/06/84/507120684.db2.gz ZYTLKELZRVOVCK-AWEZNQCLSA-N 1 2 350.312 3.259 20 5 FGBDLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610304391 507185818 /nfs/dbraw/zinc/18/58/18/507185818.db2.gz XXKNSANTZLZTIG-QGZVFWFLSA-N 1 2 364.405 3.351 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[nH+]c12 ZINC000610446032 507243220 /nfs/dbraw/zinc/24/32/20/507243220.db2.gz KTZUBLWISCFXMU-UHFFFAOYSA-N 1 2 363.377 3.005 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000610446045 507243626 /nfs/dbraw/zinc/24/36/26/507243626.db2.gz LFNHBQHWPRXJPR-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO Cc1ccc(C2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)CC2)c[nH+]1 ZINC000601141390 507275716 /nfs/dbraw/zinc/27/57/16/507275716.db2.gz KOYKFXGTCBZUQE-UHFFFAOYSA-N 1 2 369.347 3.435 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570984 507295370 /nfs/dbraw/zinc/29/53/70/507295370.db2.gz JZBLWXOODKASPU-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO Cc1cc(N2CCO[C@H](C(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601232934 507305983 /nfs/dbraw/zinc/30/59/83/507305983.db2.gz VTVGLOIWOXWFNN-AWEZNQCLSA-N 1 2 364.352 3.221 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000594949646 507325655 /nfs/dbraw/zinc/32/56/55/507325655.db2.gz GBYCRHJMKMDAGN-UHFFFAOYSA-N 1 2 356.304 3.092 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000591851250 507391817 /nfs/dbraw/zinc/39/18/17/507391817.db2.gz MCKDTYCBDNRCLL-DZGCQCFKSA-N 1 2 367.243 3.358 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000591851250 507391823 /nfs/dbraw/zinc/39/18/23/507391823.db2.gz MCKDTYCBDNRCLL-DZGCQCFKSA-N 1 2 367.243 3.358 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000591911321 507405531 /nfs/dbraw/zinc/40/55/31/507405531.db2.gz JTKUXAMCFHBAGG-AWEZNQCLSA-N 1 2 367.409 3.154 20 5 FGBDLO CC(C)(CO)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000595502297 507532018 /nfs/dbraw/zinc/53/20/18/507532018.db2.gz YPJQZDHZPSYBRG-INIZCTEOSA-N 1 2 351.353 3.117 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595503194 507535137 /nfs/dbraw/zinc/53/51/37/507535137.db2.gz YCOFOCPYHHTNSJ-ZDUSSCGKSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595503194 507535143 /nfs/dbraw/zinc/53/51/43/507535143.db2.gz YCOFOCPYHHTNSJ-ZDUSSCGKSA-N 1 2 374.828 3.461 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587050956 507705239 /nfs/dbraw/zinc/70/52/39/507705239.db2.gz GBNGOURUHVLAMA-GFCCVEGCSA-N 1 2 360.439 3.038 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000611560855 507739264 /nfs/dbraw/zinc/73/92/64/507739264.db2.gz QPPLZPIUPSTHFR-MRXNPFEDSA-N 1 2 357.801 3.256 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1[N+](=O)[O-] ZINC000602564479 507749946 /nfs/dbraw/zinc/74/99/46/507749946.db2.gz SQKOMHNVHMPMOU-CYBMUJFWSA-N 1 2 374.441 3.443 20 5 FGBDLO Cc1cc(N2CCCc3n[nH]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596004366 507756147 /nfs/dbraw/zinc/75/61/47/507756147.db2.gz YVMVTSJPYNMTHH-UHFFFAOYSA-N 1 2 350.382 3.036 20 5 FGBDLO Cc1c(Br)c(NC[C@@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000542520224 673588185 /nfs/dbraw/zinc/58/81/85/673588185.db2.gz VYUCULBYFPWTJS-SECBINFHSA-N 1 2 354.208 3.005 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000016632816 695630788 /nfs/dbraw/zinc/63/07/88/695630788.db2.gz NCNSOFOLYUTEKX-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000016632816 695630789 /nfs/dbraw/zinc/63/07/89/695630789.db2.gz NCNSOFOLYUTEKX-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO Cc1nc(CO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cs1 ZINC000374877125 713950301 /nfs/dbraw/zinc/95/03/01/713950301.db2.gz LAXNIFRURURSKM-OAHLLOKOSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1nc(CO[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cs1 ZINC000374877125 713950303 /nfs/dbraw/zinc/95/03/03/713950303.db2.gz LAXNIFRURURSKM-OAHLLOKOSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c(C)c[nH+]1 ZINC000758912233 722996688 /nfs/dbraw/zinc/99/66/88/722996688.db2.gz YUPGKJLONPSSSB-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO Cc1ccc(C)c(C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000762051026 723210513 /nfs/dbraw/zinc/21/05/13/723210513.db2.gz OUVVGRXODHZHJI-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO Cc1ccc(C)c(C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000762051026 723210515 /nfs/dbraw/zinc/21/05/15/723210515.db2.gz OUVVGRXODHZHJI-UHFFFAOYSA-N 1 2 353.220 3.260 20 5 FGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488752 725067592 /nfs/dbraw/zinc/06/75/92/725067592.db2.gz SOPXRTMTIYVBOP-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488752 725067594 /nfs/dbraw/zinc/06/75/94/725067594.db2.gz SOPXRTMTIYVBOP-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000822616398 729201427 /nfs/dbraw/zinc/20/14/27/729201427.db2.gz CPMBUUZTWHHLRT-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824454302 729340071 /nfs/dbraw/zinc/34/00/71/729340071.db2.gz BGQVWSJYDHPBQD-SNVBAGLBSA-N 1 2 374.224 3.176 20 5 FGBDLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824454302 729340072 /nfs/dbraw/zinc/34/00/72/729340072.db2.gz BGQVWSJYDHPBQD-SNVBAGLBSA-N 1 2 374.224 3.176 20 5 FGBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)c2c1 ZINC000844722299 730757814 /nfs/dbraw/zinc/75/78/14/730757814.db2.gz XFVNATJATKFIFP-UHFFFAOYSA-N 1 2 358.295 3.268 20 5 FGBDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2N1 ZINC000852495742 731592878 /nfs/dbraw/zinc/59/28/78/731592878.db2.gz NEPHFVXOLUWVGY-NOZJJQNGSA-N 1 2 358.225 3.002 20 5 FGBDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2N1 ZINC000852495742 731592882 /nfs/dbraw/zinc/59/28/82/731592882.db2.gz NEPHFVXOLUWVGY-NOZJJQNGSA-N 1 2 358.225 3.002 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)nc1-c1ccccn1 ZINC000853509512 731715688 /nfs/dbraw/zinc/71/56/88/731715688.db2.gz XJMUIYZDINJWBY-NSHDSACASA-N 1 2 355.320 3.085 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nc1-c1ccccn1 ZINC000853509512 731715692 /nfs/dbraw/zinc/71/56/92/731715692.db2.gz XJMUIYZDINJWBY-NSHDSACASA-N 1 2 355.320 3.085 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872058142 735582644 /nfs/dbraw/zinc/58/26/44/735582644.db2.gz OBIBANSTROORTC-LBPRGKRZSA-N 1 2 366.414 3.378 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533607 736871104 /nfs/dbraw/zinc/87/11/04/736871104.db2.gz HGFMHCSNWBWDSE-ONGXEEELSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878533607 736871109 /nfs/dbraw/zinc/87/11/09/736871109.db2.gz HGFMHCSNWBWDSE-ONGXEEELSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879273387 736975096 /nfs/dbraw/zinc/97/50/96/736975096.db2.gz UPSHVSFXDRGFPB-OAHLLOKOSA-N 1 2 356.209 3.294 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000880000330 737095206 /nfs/dbraw/zinc/09/52/06/737095206.db2.gz UKXVSYHPTVHQKC-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000880000330 737095208 /nfs/dbraw/zinc/09/52/08/737095208.db2.gz UKXVSYHPTVHQKC-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000886122762 739221065 /nfs/dbraw/zinc/22/10/65/739221065.db2.gz JTDGIUGPVNJCDD-GFCCVEGCSA-N 1 2 355.320 3.042 20 5 FGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000886122762 739221068 /nfs/dbraw/zinc/22/10/68/739221068.db2.gz JTDGIUGPVNJCDD-GFCCVEGCSA-N 1 2 355.320 3.042 20 5 FGBDLO COc1c(O)ccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000893136476 742115400 /nfs/dbraw/zinc/11/54/00/742115400.db2.gz VSMOKAUYHHXINU-LBPRGKRZSA-N 1 2 350.758 3.186 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(CC(F)(F)F)s3)nc2c1 ZINC000894056528 742232418 /nfs/dbraw/zinc/23/24/18/742232418.db2.gz KEVGWPGHYYHRIY-UHFFFAOYSA-N 1 2 371.344 3.322 20 5 FGBDLO Cc1[nH]c([C@H]2CCCN2c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH+]c1C ZINC000895196917 742386196 /nfs/dbraw/zinc/38/61/96/742386196.db2.gz NSOXXVAFRKLYFR-SECBINFHSA-N 1 2 358.324 3.029 20 5 FGBDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069414 758174611 /nfs/dbraw/zinc/17/46/11/758174611.db2.gz RYNBTWXILCEACT-SECBINFHSA-N 1 2 367.755 3.400 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033569506 204972358 /nfs/dbraw/zinc/97/23/58/204972358.db2.gz FWHFUYWYOZHFAQ-DAXSKMNVSA-N 1 2 351.406 3.066 20 5 FGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000052927095 205189339 /nfs/dbraw/zinc/18/93/39/205189339.db2.gz NAGOGSXONOYSNQ-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533800631 503954124 /nfs/dbraw/zinc/95/41/24/503954124.db2.gz UBWWIYSEXWXCKM-OAHLLOKOSA-N 1 2 367.449 3.393 20 5 FGBDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533800631 503954127 /nfs/dbraw/zinc/95/41/27/503954127.db2.gz UBWWIYSEXWXCKM-OAHLLOKOSA-N 1 2 367.449 3.393 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048316376 493815772 /nfs/dbraw/zinc/81/57/72/493815772.db2.gz DONVSKCFGDAEBX-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000068423030 493816861 /nfs/dbraw/zinc/81/68/61/493816861.db2.gz WIQACSFPTAXTLG-UHFFFAOYSA-N 1 2 353.382 3.093 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058601019 493868991 /nfs/dbraw/zinc/86/89/91/493868991.db2.gz OKJXPSSTHJXTTD-UHFFFAOYSA-N 1 2 374.397 3.288 20 5 FGBDLO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000076408742 493886322 /nfs/dbraw/zinc/88/63/22/493886322.db2.gz YPMLATHVGPYOHT-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1c(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000076408742 493886324 /nfs/dbraw/zinc/88/63/24/493886324.db2.gz YPMLATHVGPYOHT-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000081851620 493964057 /nfs/dbraw/zinc/96/40/57/493964057.db2.gz FMPFGMGWSQFUSS-UHFFFAOYSA-N 1 2 364.405 3.332 20 5 FGBDLO Cc1ccc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000051824069 493989627 /nfs/dbraw/zinc/98/96/27/493989627.db2.gz LZCVOHLNVZUECF-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007117806 494001547 /nfs/dbraw/zinc/00/15/47/494001547.db2.gz UXESIAUPTNTYDR-UHFFFAOYSA-N 1 2 358.785 3.336 20 5 FGBDLO CCCOc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000052589720 494044136 /nfs/dbraw/zinc/04/41/36/494044136.db2.gz FKQGHFPQEVNZGE-UHFFFAOYSA-N 1 2 371.437 3.132 20 5 FGBDLO CCCOc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000052589720 494044137 /nfs/dbraw/zinc/04/41/37/494044137.db2.gz FKQGHFPQEVNZGE-UHFFFAOYSA-N 1 2 371.437 3.132 20 5 FGBDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589652 494044293 /nfs/dbraw/zinc/04/42/93/494044293.db2.gz MKEDXXMFXBAPEX-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589652 494044295 /nfs/dbraw/zinc/04/42/95/494044295.db2.gz MKEDXXMFXBAPEX-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000008311143 494082620 /nfs/dbraw/zinc/08/26/20/494082620.db2.gz DXNSSAHDSCJJNH-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000008311143 494082622 /nfs/dbraw/zinc/08/26/22/494082622.db2.gz DXNSSAHDSCJJNH-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC000052993921 494083053 /nfs/dbraw/zinc/08/30/53/494083053.db2.gz NSDDNZSRROFGQU-UHFFFAOYSA-N 1 2 373.409 3.498 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC000052993921 494083057 /nfs/dbraw/zinc/08/30/57/494083057.db2.gz NSDDNZSRROFGQU-UHFFFAOYSA-N 1 2 373.409 3.498 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000008320607 494083658 /nfs/dbraw/zinc/08/36/58/494083658.db2.gz DQHXTJDKMDVQCG-AWEZNQCLSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000008320607 494083661 /nfs/dbraw/zinc/08/36/61/494083661.db2.gz DQHXTJDKMDVQCG-AWEZNQCLSA-N 1 2 361.423 3.441 20 5 FGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053232114 494107941 /nfs/dbraw/zinc/10/79/41/494107941.db2.gz RFSCKLTXPCDYQZ-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053232114 494107943 /nfs/dbraw/zinc/10/79/43/494107943.db2.gz RFSCKLTXPCDYQZ-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000086167890 494142335 /nfs/dbraw/zinc/14/23/35/494142335.db2.gz ZQZJVRCGWQBNPS-SFHVURJKSA-N 1 2 369.421 3.051 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000086167890 494142339 /nfs/dbraw/zinc/14/23/39/494142339.db2.gz ZQZJVRCGWQBNPS-SFHVURJKSA-N 1 2 369.421 3.051 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2[nH+]1 ZINC000042025256 494194755 /nfs/dbraw/zinc/19/47/55/494194755.db2.gz ABOQDXYEJYRBFS-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054220675 494207586 /nfs/dbraw/zinc/20/75/86/494207586.db2.gz DZEYPIXYALIEIW-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054220675 494207588 /nfs/dbraw/zinc/20/75/88/494207588.db2.gz DZEYPIXYALIEIW-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000088305307 494225518 /nfs/dbraw/zinc/22/55/18/494225518.db2.gz WBUXXXCMBHEXBM-UHFFFAOYSA-N 1 2 350.378 3.030 20 5 FGBDLO O=[N+]([O-])c1c(NCc2ccc(Cn3cc[nH+]c3)cc2)nc2sccn21 ZINC000043997851 494334242 /nfs/dbraw/zinc/33/42/42/494334242.db2.gz RKNZJAGXSJQECC-UHFFFAOYSA-N 1 2 354.395 3.161 20 5 FGBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016446257 494390016 /nfs/dbraw/zinc/39/00/16/494390016.db2.gz KQUNXQLKCXYOPD-JTQLQIEISA-N 1 2 356.220 3.028 20 5 FGBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016446257 494390020 /nfs/dbraw/zinc/39/00/20/494390020.db2.gz KQUNXQLKCXYOPD-JTQLQIEISA-N 1 2 356.220 3.028 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888497 494393666 /nfs/dbraw/zinc/39/36/66/494393666.db2.gz OETVGLBMFPZNBO-QGZVFWFLSA-N 1 2 372.425 3.083 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888497 494393669 /nfs/dbraw/zinc/39/36/69/494393669.db2.gz OETVGLBMFPZNBO-QGZVFWFLSA-N 1 2 372.425 3.083 20 5 FGBDLO CCN(CCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045465763 494432063 /nfs/dbraw/zinc/43/20/63/494432063.db2.gz ULEWPSSWURMQNO-UHFFFAOYSA-N 1 2 364.405 3.485 20 5 FGBDLO Cc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000046282064 494511780 /nfs/dbraw/zinc/51/17/80/494511780.db2.gz LRFSKHJWZJHOFK-UHFFFAOYSA-N 1 2 366.377 3.487 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000023073966 494548287 /nfs/dbraw/zinc/54/82/87/494548287.db2.gz PCMJBQXBVDPUNN-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000023073966 494548291 /nfs/dbraw/zinc/54/82/91/494548291.db2.gz PCMJBQXBVDPUNN-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639546 494574407 /nfs/dbraw/zinc/57/44/07/494574407.db2.gz CICGKUAZBVKEJP-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131366389 494596457 /nfs/dbraw/zinc/59/64/57/494596457.db2.gz JSJKRFMPDVCQKG-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO CCN(C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131366389 494596461 /nfs/dbraw/zinc/59/64/61/494596461.db2.gz JSJKRFMPDVCQKG-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO CCC[N@H+](CC(=O)N(C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092382081 494611210 /nfs/dbraw/zinc/61/12/10/494611210.db2.gz DVGFDQZKHNGZEQ-UHFFFAOYSA-N 1 2 362.455 3.019 20 5 FGBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092382081 494611216 /nfs/dbraw/zinc/61/12/16/494611216.db2.gz DVGFDQZKHNGZEQ-UHFFFAOYSA-N 1 2 362.455 3.019 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000092507680 494650324 /nfs/dbraw/zinc/65/03/24/494650324.db2.gz HYIGYVLPSXDHQD-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000092507680 494650331 /nfs/dbraw/zinc/65/03/31/494650331.db2.gz HYIGYVLPSXDHQD-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126289696 494699863 /nfs/dbraw/zinc/69/98/63/494699863.db2.gz JMTOOAZMPYJSAU-LRDDRELGSA-N 1 2 362.817 3.097 20 5 FGBDLO Cc1ccsc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057290536 494706668 /nfs/dbraw/zinc/70/66/68/494706668.db2.gz UYVOZHZMNGCTMK-UHFFFAOYSA-N 1 2 356.407 3.423 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025411763 494735886 /nfs/dbraw/zinc/73/58/86/494735886.db2.gz SPXVWJXUROEYPU-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025527620 494752546 /nfs/dbraw/zinc/75/25/46/494752546.db2.gz WVVOFFGQHLKUQS-CYBMUJFWSA-N 1 2 370.434 3.082 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000092968443 494796595 /nfs/dbraw/zinc/79/65/95/494796595.db2.gz JGCHFCUEPFXTMK-AWEZNQCLSA-N 1 2 352.341 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000092968443 494796601 /nfs/dbraw/zinc/79/66/01/494796601.db2.gz JGCHFCUEPFXTMK-AWEZNQCLSA-N 1 2 352.341 3.230 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000075626197 494804860 /nfs/dbraw/zinc/80/48/60/494804860.db2.gz ZRBPPJBEBCXICY-MRXNPFEDSA-N 1 2 353.422 3.043 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646719 494809404 /nfs/dbraw/zinc/80/94/04/494809404.db2.gz RHOKLRQAKHUKJF-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646719 494809411 /nfs/dbraw/zinc/80/94/11/494809411.db2.gz RHOKLRQAKHUKJF-STQMWFEESA-N 1 2 366.439 3.108 20 5 FGBDLO CSc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000109307344 494859020 /nfs/dbraw/zinc/85/90/20/494859020.db2.gz QBRZNLQANIDMGI-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000116895428 494868390 /nfs/dbraw/zinc/86/83/90/494868390.db2.gz PVABTOCIUBGQFT-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000116895428 494868393 /nfs/dbraw/zinc/86/83/93/494868393.db2.gz PVABTOCIUBGQFT-KRWDZBQOSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000093385768 494883378 /nfs/dbraw/zinc/88/33/78/494883378.db2.gz QXFNUEJZKNPZOG-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000093385768 494883382 /nfs/dbraw/zinc/88/33/82/494883382.db2.gz QXFNUEJZKNPZOG-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000093534255 494898335 /nfs/dbraw/zinc/89/83/35/494898335.db2.gz NRGZLHIFEDRUAY-NSHDSACASA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nc1 ZINC000093534255 494898337 /nfs/dbraw/zinc/89/83/37/494898337.db2.gz NRGZLHIFEDRUAY-NSHDSACASA-N 1 2 367.331 3.090 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000093608118 494903071 /nfs/dbraw/zinc/90/30/71/494903071.db2.gz PXTNIJYQKVFSNS-OWOJBTEDSA-N 1 2 369.396 3.205 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000117693479 494945762 /nfs/dbraw/zinc/94/57/62/494945762.db2.gz XFBZXEAFLDIJNR-ZDUSSCGKSA-N 1 2 370.434 3.348 20 5 FGBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096954098 495016994 /nfs/dbraw/zinc/01/69/94/495016994.db2.gz AIOVQWMIQQFLRV-ZDUSSCGKSA-N 1 2 352.394 3.414 20 5 FGBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096954098 495016997 /nfs/dbraw/zinc/01/69/97/495016997.db2.gz AIOVQWMIQQFLRV-ZDUSSCGKSA-N 1 2 352.394 3.414 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000097695618 495042583 /nfs/dbraw/zinc/04/25/83/495042583.db2.gz FIOHOQFFLWOURP-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000097695618 495042584 /nfs/dbraw/zinc/04/25/84/495042584.db2.gz FIOHOQFFLWOURP-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128158582 495053622 /nfs/dbraw/zinc/05/36/22/495053622.db2.gz YHOMOVWOFLIUFO-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@@H]2N1 ZINC000123589510 495156572 /nfs/dbraw/zinc/15/65/72/495156572.db2.gz YAAALMCQFJCZGC-IRXDYDNUSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@@H]2N1 ZINC000123589510 495156578 /nfs/dbraw/zinc/15/65/78/495156578.db2.gz YAAALMCQFJCZGC-IRXDYDNUSA-N 1 2 355.394 3.098 20 5 FGBDLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465495 495236610 /nfs/dbraw/zinc/23/66/10/495236610.db2.gz ZTUPCBLDHCDSEC-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465495 495236613 /nfs/dbraw/zinc/23/66/13/495236613.db2.gz ZTUPCBLDHCDSEC-UHFFFAOYSA-N 1 2 359.401 3.203 20 5 FGBDLO O=C(NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000103469954 495238096 /nfs/dbraw/zinc/23/80/96/495238096.db2.gz VGUZDFVEWXUWEU-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1NCCCNc1cccc[nH+]1 ZINC000129951366 495319201 /nfs/dbraw/zinc/31/92/01/495319201.db2.gz JLNGQJKVXSLLPB-UHFFFAOYSA-N 1 2 352.192 3.061 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000124713240 495331880 /nfs/dbraw/zinc/33/18/80/495331880.db2.gz ZFCNGLVTTKASPQ-UHFFFAOYSA-N 1 2 367.405 3.307 20 5 FGBDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000106242423 495439951 /nfs/dbraw/zinc/43/99/51/495439951.db2.gz PZBUJZFKIRVRHK-IUCAKERBSA-N 1 2 354.819 3.383 20 5 FGBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000139595034 495479921 /nfs/dbraw/zinc/47/99/21/495479921.db2.gz BCAJCTWWQAQTCJ-UHFFFAOYSA-N 1 2 351.366 3.377 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000106878472 495504835 /nfs/dbraw/zinc/50/48/35/495504835.db2.gz QEUAVHJXQVTTTF-GFCCVEGCSA-N 1 2 362.455 3.324 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000106878472 495504838 /nfs/dbraw/zinc/50/48/38/495504838.db2.gz QEUAVHJXQVTTTF-GFCCVEGCSA-N 1 2 362.455 3.324 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000142094569 495513605 /nfs/dbraw/zinc/51/36/05/495513605.db2.gz YZWIIBFRXMYOKB-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000142094569 495513610 /nfs/dbraw/zinc/51/36/10/495513610.db2.gz YZWIIBFRXMYOKB-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000173460855 495539770 /nfs/dbraw/zinc/53/97/70/495539770.db2.gz CCLCTNJWAMOPKI-UHFFFAOYSA-N 1 2 373.457 3.269 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000179381501 495569848 /nfs/dbraw/zinc/56/98/48/495569848.db2.gz RCDMSRJEEFUCKU-LJQANCHMSA-N 1 2 369.421 3.040 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176582650 495708079 /nfs/dbraw/zinc/70/80/79/495708079.db2.gz STGJCLKRQHKLBT-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736661 495711003 /nfs/dbraw/zinc/71/10/03/495711003.db2.gz LGCAJRSCWRJGRJ-HIFRSBDPSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736661 495711009 /nfs/dbraw/zinc/71/10/09/495711009.db2.gz LGCAJRSCWRJGRJ-HIFRSBDPSA-N 1 2 367.377 3.110 20 5 FGBDLO Cc1cnc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000176857190 495814091 /nfs/dbraw/zinc/81/40/91/495814091.db2.gz DHVCESFUGOSIEL-UHFFFAOYSA-N 1 2 371.422 3.211 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)cc1 ZINC000174188574 495855738 /nfs/dbraw/zinc/85/57/38/495855738.db2.gz HFKGYZYVVFLCGQ-UHFFFAOYSA-N 1 2 356.304 3.419 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000160645370 496010710 /nfs/dbraw/zinc/01/07/10/496010710.db2.gz XYEHFMRCHUKECG-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000160645370 496010712 /nfs/dbraw/zinc/01/07/12/496010712.db2.gz XYEHFMRCHUKECG-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180489451 496018502 /nfs/dbraw/zinc/01/85/02/496018502.db2.gz ZFJPEQDPYQZDID-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180489451 496018508 /nfs/dbraw/zinc/01/85/08/496018508.db2.gz ZFJPEQDPYQZDID-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO C[C@]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000177406057 496050696 /nfs/dbraw/zinc/05/06/96/496050696.db2.gz IEGPCWZQYHWUHD-MRXNPFEDSA-N 1 2 368.220 3.392 20 5 FGBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)c(Br)c1 ZINC000177544095 496106368 /nfs/dbraw/zinc/10/63/68/496106368.db2.gz ZRUWLOXXULEDQB-UHFFFAOYSA-N 1 2 352.192 3.061 20 5 FGBDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000180714768 496115516 /nfs/dbraw/zinc/11/55/16/496115516.db2.gz WCMQAFNXDPQPQH-UHFFFAOYSA-N 1 2 361.423 3.120 20 5 FGBDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000180714768 496115523 /nfs/dbraw/zinc/11/55/23/496115523.db2.gz WCMQAFNXDPQPQH-UHFFFAOYSA-N 1 2 361.423 3.120 20 5 FGBDLO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000180752556 496131142 /nfs/dbraw/zinc/13/11/42/496131142.db2.gz VFDAIUZBJRARHL-UHFFFAOYSA-N 1 2 363.458 3.275 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000162485510 496361181 /nfs/dbraw/zinc/36/11/81/496361181.db2.gz PXCVNBPKMMKUSU-UHFFFAOYSA-N 1 2 372.400 3.392 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000175408724 496378257 /nfs/dbraw/zinc/37/82/57/496378257.db2.gz CSMNOALFJVNTAX-WBVHZDCISA-N 1 2 372.450 3.281 20 5 FGBDLO CN(C)c1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000162955456 496440710 /nfs/dbraw/zinc/44/07/10/496440710.db2.gz XRQWTUCCOXDMSK-UHFFFAOYSA-N 1 2 352.398 3.068 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)sc1C ZINC000157509727 496492477 /nfs/dbraw/zinc/49/24/77/496492477.db2.gz DUECBNZUBYJNHF-UHFFFAOYSA-N 1 2 373.438 3.132 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000175680878 496498651 /nfs/dbraw/zinc/49/86/51/496498651.db2.gz XTAGTVWSESBASP-CQSZACIVSA-N 1 2 367.409 3.154 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000172957774 496501058 /nfs/dbraw/zinc/50/10/58/496501058.db2.gz LFPZZSSZNVPKBU-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000157622651 496517920 /nfs/dbraw/zinc/51/79/20/496517920.db2.gz MVIJNZDOEPCRAP-UHFFFAOYSA-N 1 2 359.348 3.085 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000184842478 496554257 /nfs/dbraw/zinc/55/42/57/496554257.db2.gz VBFFUNTZTKXCFZ-WBMJQRKESA-N 1 2 361.398 3.055 20 5 FGBDLO Cc1nccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1Cl ZINC000163848983 496564825 /nfs/dbraw/zinc/56/48/25/496564825.db2.gz QPQXFPDMINGUKE-UHFFFAOYSA-N 1 2 357.757 3.390 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000181923167 496601649 /nfs/dbraw/zinc/60/16/49/496601649.db2.gz WYBCBDRDGGFYLX-KRWDZBQOSA-N 1 2 372.421 3.056 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000181923167 496601656 /nfs/dbraw/zinc/60/16/56/496601656.db2.gz WYBCBDRDGGFYLX-KRWDZBQOSA-N 1 2 372.421 3.056 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185013885 496622755 /nfs/dbraw/zinc/62/27/55/496622755.db2.gz BAXWZJRMTFNAOM-MNOVXSKESA-N 1 2 364.427 3.046 20 5 FGBDLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000175985903 496631412 /nfs/dbraw/zinc/63/14/12/496631412.db2.gz HIGIGGMBICCZNZ-UHFFFAOYSA-N 1 2 362.455 3.449 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000185086017 496652413 /nfs/dbraw/zinc/65/24/13/496652413.db2.gz XBPFMFSVTIANHY-NSHDSACASA-N 1 2 372.324 3.011 20 5 FGBDLO CN(Cc1cc(Cl)cn1C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154036521 496662518 /nfs/dbraw/zinc/66/25/18/496662518.db2.gz KTPUOIQXIKQZJK-UHFFFAOYSA-N 1 2 373.800 3.045 20 5 FGBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000165879412 496671157 /nfs/dbraw/zinc/67/11/57/496671157.db2.gz MYKUZJNJNQBMMI-UHFFFAOYSA-N 1 2 373.756 3.421 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000188208704 496716822 /nfs/dbraw/zinc/71/68/22/496716822.db2.gz YIQDOSBRUYVWIB-GXTWGEPZSA-N 1 2 360.439 3.237 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000191363135 496739061 /nfs/dbraw/zinc/73/90/61/496739061.db2.gz CYUAFQMRUGDMCO-UHFFFAOYSA-N 1 2 369.425 3.351 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000273374561 496788044 /nfs/dbraw/zinc/78/80/44/496788044.db2.gz DSHAXEUTVGTPAF-ISBHARSQSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000273374561 496788047 /nfs/dbraw/zinc/78/80/47/496788047.db2.gz DSHAXEUTVGTPAF-ISBHARSQSA-N 1 2 358.398 3.320 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000273768490 496901543 /nfs/dbraw/zinc/90/15/43/496901543.db2.gz QJLHSRTVPLYNOQ-ZETCQYMHSA-N 1 2 357.233 3.368 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000273811843 496916006 /nfs/dbraw/zinc/91/60/06/496916006.db2.gz DJBTWTXSUJRPMF-CXAGYDPISA-N 1 2 374.416 3.318 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000188974983 496964786 /nfs/dbraw/zinc/96/47/86/496964786.db2.gz FEJVOFGVGUVGQT-UHFFFAOYSA-N 1 2 368.437 3.071 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000270999868 497243607 /nfs/dbraw/zinc/24/36/07/497243607.db2.gz KXFMYCGUDTVUFB-KRWDZBQOSA-N 1 2 374.466 3.225 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278999451 497296753 /nfs/dbraw/zinc/29/67/53/497296753.db2.gz RYXGULIXBFCFQJ-UHFFFAOYSA-N 1 2 360.439 3.209 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000279277969 497391812 /nfs/dbraw/zinc/39/18/12/497391812.db2.gz XDWCNEBJYQUOIV-QGZVFWFLSA-N 1 2 354.410 3.184 20 5 FGBDLO CCc1cc(NCCCC(=O)NC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193518984 497402135 /nfs/dbraw/zinc/40/21/35/497402135.db2.gz JAWBZVAKACLJPD-UHFFFAOYSA-N 1 2 369.425 3.085 20 5 FGBDLO Cc1cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000193652166 497437013 /nfs/dbraw/zinc/43/70/13/497437013.db2.gz SMJZUIAWAJTANH-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000245525014 497439631 /nfs/dbraw/zinc/43/96/31/497439631.db2.gz OANWMGDTRHDQQG-FUHWJXTLSA-N 1 2 358.442 3.179 20 5 FGBDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000245525014 497439633 /nfs/dbraw/zinc/43/96/33/497439633.db2.gz OANWMGDTRHDQQG-FUHWJXTLSA-N 1 2 358.442 3.179 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000575121025 505925852 /nfs/dbraw/zinc/92/58/52/505925852.db2.gz YMWUUBMMVAZKMS-OLZOCXBDSA-N 1 2 358.398 3.349 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000575121025 505925855 /nfs/dbraw/zinc/92/58/55/505925855.db2.gz YMWUUBMMVAZKMS-OLZOCXBDSA-N 1 2 358.398 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000194757868 497761978 /nfs/dbraw/zinc/76/19/78/497761978.db2.gz BFPXWOUFVKPXQX-UHFFFAOYSA-N 1 2 363.399 3.036 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273106555 497799733 /nfs/dbraw/zinc/79/97/33/497799733.db2.gz BOBVKCHHLJXCEO-UHFFFAOYSA-N 1 2 368.846 3.086 20 5 FGBDLO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825657 497911187 /nfs/dbraw/zinc/91/11/87/497911187.db2.gz NLPDHLFBCGMEOE-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825657 497911193 /nfs/dbraw/zinc/91/11/93/497911193.db2.gz NLPDHLFBCGMEOE-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000301085057 497945670 /nfs/dbraw/zinc/94/56/70/497945670.db2.gz LHWDKCCPIWNSQG-MRXNPFEDSA-N 1 2 374.407 3.298 20 5 FGBDLO O=[N+]([O-])c1c(NCCNc2ccc3ccccc3[nH+]2)nc2sccn21 ZINC000301133879 497966686 /nfs/dbraw/zinc/96/66/86/497966686.db2.gz ZIQXCEPCCZTLRI-UHFFFAOYSA-N 1 2 354.395 3.376 20 5 FGBDLO CC(C)n1cnnc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292327383 497972011 /nfs/dbraw/zinc/97/20/11/497972011.db2.gz FVLYHAKJXHXCIF-UHFFFAOYSA-N 1 2 370.413 3.097 20 5 FGBDLO CC(C)n1cnnc1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292327383 497972016 /nfs/dbraw/zinc/97/20/16/497972016.db2.gz FVLYHAKJXHXCIF-UHFFFAOYSA-N 1 2 370.413 3.097 20 5 FGBDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000301264899 498029089 /nfs/dbraw/zinc/02/90/89/498029089.db2.gz GHVYPSXQUKTBQQ-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nncn1C ZINC000285464435 498094564 /nfs/dbraw/zinc/09/45/64/498094564.db2.gz KASHWKWLXSIVFZ-QGZVFWFLSA-N 1 2 355.398 3.470 20 5 FGBDLO CO[C@@](C)(c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1)C1CC1 ZINC000351126962 498183251 /nfs/dbraw/zinc/18/32/51/498183251.db2.gz VAILKJRVXZUMAK-QGZVFWFLSA-N 1 2 355.354 3.102 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000281852113 498291926 /nfs/dbraw/zinc/29/19/26/498291926.db2.gz YIKMAVOVDMRWIH-KRWDZBQOSA-N 1 2 371.441 3.291 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000331309119 498298123 /nfs/dbraw/zinc/29/81/23/498298123.db2.gz GYAUYMFYQNCTIJ-GFCCVEGCSA-N 1 2 373.425 3.240 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1[C@H]1CCCO1 ZINC000289839582 498318457 /nfs/dbraw/zinc/31/84/57/498318457.db2.gz PUGWZJSQRVVRRC-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1[C@H]1CCCO1 ZINC000289839582 498318463 /nfs/dbraw/zinc/31/84/63/498318463.db2.gz PUGWZJSQRVVRRC-ZBFHGGJFSA-N 1 2 358.398 3.034 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000281962751 498337010 /nfs/dbraw/zinc/33/70/10/498337010.db2.gz XTPKUXCNONNJJK-OAHLLOKOSA-N 1 2 373.369 3.087 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000331532939 498363531 /nfs/dbraw/zinc/36/35/31/498363531.db2.gz LULQQIHQDWUGPL-UHFFFAOYSA-N 1 2 351.472 3.385 20 5 FGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000302206683 498442526 /nfs/dbraw/zinc/44/25/26/498442526.db2.gz DVVSUQWZBCQBIP-FZMZJTMJSA-N 1 2 352.341 3.480 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000361939963 498443320 /nfs/dbraw/zinc/44/33/20/498443320.db2.gz PEUYTKDIODQSGJ-UHFFFAOYSA-N 1 2 363.487 3.462 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NC[C@H](c1ccccc1)[NH+]1CCOCC1)CCN2 ZINC000302434780 498483667 /nfs/dbraw/zinc/48/36/67/498483667.db2.gz LZNSSXNMSOHMID-LJQANCHMSA-N 1 2 368.437 3.048 20 5 FGBDLO Cc1cc(N(C)[C@H](C)C(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302468762 498489945 /nfs/dbraw/zinc/48/99/45/498489945.db2.gz PQVXDWQYZBORIQ-CYBMUJFWSA-N 1 2 371.441 3.100 20 5 FGBDLO COc1cccc2c(N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc[nH+]c12 ZINC000302808810 498582645 /nfs/dbraw/zinc/58/26/45/498582645.db2.gz XXHQVOIEIOPQBP-CYBMUJFWSA-N 1 2 365.393 3.237 20 5 FGBDLO CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000578968511 506063864 /nfs/dbraw/zinc/06/38/64/506063864.db2.gz XLFVUXRWVJIGSY-GFCCVEGCSA-N 1 2 367.203 3.208 20 5 FGBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000312869736 498763400 /nfs/dbraw/zinc/76/34/00/498763400.db2.gz UCZIGCDLOYIRMM-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc1[N+](=O)[O-] ZINC000332702733 498768871 /nfs/dbraw/zinc/76/88/71/498768871.db2.gz YMEADFKSBMEIPA-AWEZNQCLSA-N 1 2 356.426 3.142 20 5 FGBDLO Cc1cccc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1[N+](=O)[O-] ZINC000298806498 498883457 /nfs/dbraw/zinc/88/34/57/498883457.db2.gz WZPXQWVSUQJCRR-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295042206 498890533 /nfs/dbraw/zinc/89/05/33/498890533.db2.gz JIMJVWTWNOAGMK-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO CC(=O)c1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000283503312 498906069 /nfs/dbraw/zinc/90/60/69/498906069.db2.gz ITXYQGSMPILDKZ-ZDUSSCGKSA-N 1 2 370.409 3.030 20 5 FGBDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])c(C)n4)C3)[nH+]c2c1 ZINC000295141211 498924128 /nfs/dbraw/zinc/92/41/28/498924128.db2.gz ZNWUCJFOEGNRFH-ZDUSSCGKSA-N 1 2 352.398 3.262 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000295176936 498933998 /nfs/dbraw/zinc/93/39/98/498933998.db2.gz PERNTEQAOJUZOT-UHFFFAOYSA-N 1 2 358.442 3.344 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000284044453 499036656 /nfs/dbraw/zinc/03/66/56/499036656.db2.gz LXLXLSVTQHTCAS-GFCCVEGCSA-N 1 2 373.363 3.295 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000284044453 499036660 /nfs/dbraw/zinc/03/66/60/499036660.db2.gz LXLXLSVTQHTCAS-GFCCVEGCSA-N 1 2 373.363 3.295 20 5 FGBDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000284131551 499055134 /nfs/dbraw/zinc/05/51/34/499055134.db2.gz OGHQYADDOJONTA-LLVKDONJSA-N 1 2 361.354 3.371 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364046968 499098239 /nfs/dbraw/zinc/09/82/39/499098239.db2.gz HNXOIQTYIRHLOU-HOTGVXAUSA-N 1 2 356.426 3.293 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000372524588 499139138 /nfs/dbraw/zinc/13/91/38/499139138.db2.gz RUSADRWLKKYJPX-RDJZCZTQSA-N 1 2 356.426 3.261 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000372744979 499169451 /nfs/dbraw/zinc/16/94/51/499169451.db2.gz AKFUCMBPUFCOHG-UHFFFAOYSA-N 1 2 369.450 3.098 20 5 FGBDLO Cc1nnc([C@H](C)[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000367304289 499177218 /nfs/dbraw/zinc/17/72/18/499177218.db2.gz BLLXOEVXCUSQLC-NSHDSACASA-N 1 2 359.455 3.496 20 5 FGBDLO Cc1nnc([C@H](C)[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000367304289 499177219 /nfs/dbraw/zinc/17/72/19/499177219.db2.gz BLLXOEVXCUSQLC-NSHDSACASA-N 1 2 359.455 3.496 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000370136116 499186186 /nfs/dbraw/zinc/18/61/86/499186186.db2.gz MSHRMPDYGXPJKL-CQSZACIVSA-N 1 2 371.441 3.039 20 5 FGBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529552 499338438 /nfs/dbraw/zinc/33/84/38/499338438.db2.gz SQTKIBPBOHJIDB-DOTOQJQBSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529552 499338440 /nfs/dbraw/zinc/33/84/40/499338440.db2.gz SQTKIBPBOHJIDB-DOTOQJQBSA-N 1 2 374.393 3.007 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)s1 ZINC000373158581 499454371 /nfs/dbraw/zinc/45/43/71/499454371.db2.gz LSZRYSOIKYMUFM-NSHDSACASA-N 1 2 357.395 3.485 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000373746202 499486116 /nfs/dbraw/zinc/48/61/16/499486116.db2.gz NPWLSEBSFZGOIA-HNNXBMFYSA-N 1 2 368.397 3.055 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000378255797 499495041 /nfs/dbraw/zinc/49/50/41/499495041.db2.gz XRQAMVHGEDESFL-DZGCQCFKSA-N 1 2 357.414 3.038 20 5 FGBDLO Cc1c(C[N@@H+]2CCc3c(sc4ncnc(N)c43)C2)cccc1[N+](=O)[O-] ZINC000378301054 499499484 /nfs/dbraw/zinc/49/94/84/499499484.db2.gz FGMZBEOXJKLZGU-UHFFFAOYSA-N 1 2 355.423 3.048 20 5 FGBDLO Cc1c(C[N@H+]2CCc3c(sc4ncnc(N)c43)C2)cccc1[N+](=O)[O-] ZINC000378301054 499499485 /nfs/dbraw/zinc/49/94/85/499499485.db2.gz FGMZBEOXJKLZGU-UHFFFAOYSA-N 1 2 355.423 3.048 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000375779491 499554976 /nfs/dbraw/zinc/55/49/76/499554976.db2.gz XRKHYDZSARHTGN-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000375779491 499554977 /nfs/dbraw/zinc/55/49/77/499554977.db2.gz XRKHYDZSARHTGN-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000375896418 499566036 /nfs/dbraw/zinc/56/60/36/499566036.db2.gz WQZHFZDGDWFFCH-LBPRGKRZSA-N 1 2 366.377 3.286 20 5 FGBDLO Cc1cc(N2CC[C@@]3(C2)CCCOC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000376422287 499607500 /nfs/dbraw/zinc/60/75/00/499607500.db2.gz BRZJYSFAPNBCGX-LJQANCHMSA-N 1 2 354.410 3.367 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411393430 499733422 /nfs/dbraw/zinc/73/34/22/499733422.db2.gz SOAHLTUXJMGJBE-OALUTQOASA-N 1 2 369.396 3.048 20 5 FGBDLO CC(C)C(=O)NC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413107375 499914699 /nfs/dbraw/zinc/91/46/99/499914699.db2.gz KSGTZXQYVQGBOA-AWEZNQCLSA-N 1 2 356.426 3.132 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000421220983 499994555 /nfs/dbraw/zinc/99/45/55/499994555.db2.gz YAXMTKGEGAPRIW-UHFFFAOYSA-N 1 2 357.410 3.018 20 5 FGBDLO O=C(NC[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421583984 500087093 /nfs/dbraw/zinc/08/70/93/500087093.db2.gz AHICMZZXKPWVEO-AWEZNQCLSA-N 1 2 372.450 3.044 20 5 FGBDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481162 500119537 /nfs/dbraw/zinc/11/95/37/500119537.db2.gz RPORQEUGEBHXFL-OAHLLOKOSA-N 1 2 371.231 3.132 20 5 FGBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425481162 500119540 /nfs/dbraw/zinc/11/95/40/500119540.db2.gz RPORQEUGEBHXFL-OAHLLOKOSA-N 1 2 371.231 3.132 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430721258 500274518 /nfs/dbraw/zinc/27/45/18/500274518.db2.gz BQCJKDQCJSOETP-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430721258 500274520 /nfs/dbraw/zinc/27/45/20/500274520.db2.gz BQCJKDQCJSOETP-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000430739328 500277722 /nfs/dbraw/zinc/27/77/22/500277722.db2.gz HXGJHZUEAAPHPN-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000430739328 500277725 /nfs/dbraw/zinc/27/77/25/500277725.db2.gz HXGJHZUEAAPHPN-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419375330 500358672 /nfs/dbraw/zinc/35/86/72/500358672.db2.gz QFBORFQSVWHKHI-OAHLLOKOSA-N 1 2 369.874 3.404 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419375330 500358676 /nfs/dbraw/zinc/35/86/76/500358676.db2.gz QFBORFQSVWHKHI-OAHLLOKOSA-N 1 2 369.874 3.404 20 5 FGBDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419394456 500361005 /nfs/dbraw/zinc/36/10/05/500361005.db2.gz SGRVCJRKOOIQLV-HNNXBMFYSA-N 1 2 367.409 3.218 20 5 FGBDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419394456 500361007 /nfs/dbraw/zinc/36/10/07/500361007.db2.gz SGRVCJRKOOIQLV-HNNXBMFYSA-N 1 2 367.409 3.218 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427987177 500455323 /nfs/dbraw/zinc/45/53/23/500455323.db2.gz AQGDNZRJMRWKBJ-UHFFFAOYSA-N 1 2 350.382 3.053 20 5 FGBDLO Cc1cc(N2CCC[C@@H](CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420647437 500482681 /nfs/dbraw/zinc/48/26/81/500482681.db2.gz XSBGRSLQVYRMLR-OAHLLOKOSA-N 1 2 356.426 3.349 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000432323382 500498815 /nfs/dbraw/zinc/49/88/15/500498815.db2.gz QFIDRZHHZFHPAL-LBPRGKRZSA-N 1 2 362.817 3.480 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c(Cl)c1 ZINC000428694372 500544771 /nfs/dbraw/zinc/54/47/71/500544771.db2.gz SREYDXWRJBXNQT-UHFFFAOYSA-N 1 2 372.874 3.039 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436971011 500582937 /nfs/dbraw/zinc/58/29/37/500582937.db2.gz HEAHRNKZWBYAHD-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000436971011 500582938 /nfs/dbraw/zinc/58/29/38/500582938.db2.gz HEAHRNKZWBYAHD-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cc[nH+]c(N4CCCCCC4)c3)nc2c1 ZINC000447671951 500642793 /nfs/dbraw/zinc/64/27/93/500642793.db2.gz OBCOWCSGXMALSC-UHFFFAOYSA-N 1 2 366.425 3.281 20 5 FGBDLO COc1cc(C)cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447807987 500667005 /nfs/dbraw/zinc/66/70/05/500667005.db2.gz UZVVMMJURAMDLD-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573559583 506211866 /nfs/dbraw/zinc/21/18/66/506211866.db2.gz MZDMJAVXPSINQH-JTQLQIEISA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573559583 506211867 /nfs/dbraw/zinc/21/18/67/506211867.db2.gz MZDMJAVXPSINQH-JTQLQIEISA-N 1 2 350.362 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334332 500711582 /nfs/dbraw/zinc/71/15/82/500711582.db2.gz LTHWHFFJJZWKKN-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334332 500711583 /nfs/dbraw/zinc/71/15/83/500711583.db2.gz LTHWHFFJJZWKKN-CQSZACIVSA-N 1 2 361.442 3.345 20 5 FGBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000433995226 500778699 /nfs/dbraw/zinc/77/86/99/500778699.db2.gz SUHZVWYZZPZNMJ-UHFFFAOYSA-N 1 2 354.370 3.094 20 5 FGBDLO CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000438596602 500806448 /nfs/dbraw/zinc/80/64/48/500806448.db2.gz BEPGYQHFYCYOCZ-LBPRGKRZSA-N 1 2 370.331 3.487 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444232682 500821288 /nfs/dbraw/zinc/82/12/88/500821288.db2.gz BOCCAURXXDFPDW-UHFFFAOYSA-N 1 2 368.396 3.259 20 5 FGBDLO Cc1cc(N(CC2CCC2)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439121321 500859622 /nfs/dbraw/zinc/85/96/22/500859622.db2.gz VCQXWKSQXRYMIO-AWEZNQCLSA-N 1 2 356.426 3.348 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444730396 500890018 /nfs/dbraw/zinc/89/00/18/500890018.db2.gz JBYJSZADVVYJFL-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444730396 500890022 /nfs/dbraw/zinc/89/00/22/500890022.db2.gz JBYJSZADVVYJFL-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000434946290 500914428 /nfs/dbraw/zinc/91/44/28/500914428.db2.gz JBECGTJHMMJXDL-DAXSKMNVSA-N 1 2 358.829 3.479 20 5 FGBDLO O=C(NCCOC1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449891776 501118369 /nfs/dbraw/zinc/11/83/69/501118369.db2.gz LPZCVEVAOBUYGG-UHFFFAOYSA-N 1 2 372.425 3.250 20 5 FGBDLO CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000449974223 501141535 /nfs/dbraw/zinc/14/15/35/501141535.db2.gz MIUITIYDMUSGTI-IRXDYDNUSA-N 1 2 372.425 3.056 20 5 FGBDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596064196 506236580 /nfs/dbraw/zinc/23/65/80/506236580.db2.gz CYEFMRHIERJDCF-CQSZACIVSA-N 1 2 366.364 3.025 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446734992 501158264 /nfs/dbraw/zinc/15/82/64/501158264.db2.gz IDQBKULJFZUKAF-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446734992 501158265 /nfs/dbraw/zinc/15/82/65/501158265.db2.gz IDQBKULJFZUKAF-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1cccc(F)c1 ZINC000446734101 501158339 /nfs/dbraw/zinc/15/83/39/501158339.db2.gz CBUSOQNZVLWGPL-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1cccc(F)c1 ZINC000446734101 501158341 /nfs/dbraw/zinc/15/83/41/501158341.db2.gz CBUSOQNZVLWGPL-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450050983 501165151 /nfs/dbraw/zinc/16/51/51/501165151.db2.gz HGWTZJBHIFFKKM-LPHOPBHVSA-N 1 2 372.425 3.056 20 5 FGBDLO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450803492 501211123 /nfs/dbraw/zinc/21/11/23/501211123.db2.gz AVPOCRINJBXZRA-NUJGCVRESA-N 1 2 368.437 3.348 20 5 FGBDLO Cc1cncc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)no2)c1 ZINC000450938340 501233371 /nfs/dbraw/zinc/23/33/71/501233371.db2.gz KKHOBKGEKNIYGJ-UHFFFAOYSA-N 1 2 353.382 3.023 20 5 FGBDLO Cc1cncc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)no2)c1 ZINC000450938340 501233373 /nfs/dbraw/zinc/23/33/73/501233373.db2.gz KKHOBKGEKNIYGJ-UHFFFAOYSA-N 1 2 353.382 3.023 20 5 FGBDLO Cc1cncc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])no2)c1 ZINC000450978276 501236494 /nfs/dbraw/zinc/23/64/94/501236494.db2.gz YAEQKGAPWXGANT-UHFFFAOYSA-N 1 2 353.382 3.023 20 5 FGBDLO Cc1cncc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])no2)c1 ZINC000450978276 501236495 /nfs/dbraw/zinc/23/64/95/501236495.db2.gz YAEQKGAPWXGANT-UHFFFAOYSA-N 1 2 353.382 3.023 20 5 FGBDLO Cc1c(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453264306 501303060 /nfs/dbraw/zinc/30/30/60/501303060.db2.gz VANKGRHJKDJHNB-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1c(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453264306 501303063 /nfs/dbraw/zinc/30/30/63/501303063.db2.gz VANKGRHJKDJHNB-MRXNPFEDSA-N 1 2 358.398 3.269 20 5 FGBDLO C[C@H]1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000451524684 501312912 /nfs/dbraw/zinc/31/29/12/501312912.db2.gz LOTWICFLNPOADU-KBPBESRZSA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1Br ZINC000602653757 506247506 /nfs/dbraw/zinc/24/75/06/506247506.db2.gz OTFOGWQEXVBILK-CYBMUJFWSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Br ZINC000602653757 506247513 /nfs/dbraw/zinc/24/75/13/506247513.db2.gz OTFOGWQEXVBILK-CYBMUJFWSA-N 1 2 361.261 3.421 20 5 FGBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000453573381 501351277 /nfs/dbraw/zinc/35/12/77/501351277.db2.gz GUZUWOCLORLHBR-UHFFFAOYSA-N 1 2 361.471 3.066 20 5 FGBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451858229 501386593 /nfs/dbraw/zinc/38/65/93/501386593.db2.gz RKPDERCAHWHYIO-IBGZPJMESA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451858229 501386596 /nfs/dbraw/zinc/38/65/96/501386596.db2.gz RKPDERCAHWHYIO-IBGZPJMESA-N 1 2 367.405 3.304 20 5 FGBDLO CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000451955374 501407799 /nfs/dbraw/zinc/40/77/99/501407799.db2.gz OXHBLKLONYNOEF-QGZVFWFLSA-N 1 2 354.410 3.431 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456340272 501503217 /nfs/dbraw/zinc/50/32/17/501503217.db2.gz DGOVDPLZUHYWPC-SECBINFHSA-N 1 2 356.304 3.321 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359635 501509055 /nfs/dbraw/zinc/50/90/55/501509055.db2.gz CWEMDIURXKFFOM-JQWIXIFHSA-N 1 2 364.789 3.036 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456378367 501512852 /nfs/dbraw/zinc/51/28/52/501512852.db2.gz LILJCSMVXKOYSQ-JFGNBEQYSA-N 1 2 364.789 3.034 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000457318802 501681155 /nfs/dbraw/zinc/68/11/55/501681155.db2.gz VDDSCCVXJSEURI-UHFFFAOYSA-N 1 2 366.418 3.168 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000481461101 501781237 /nfs/dbraw/zinc/78/12/37/501781237.db2.gz DODRAUXLKBWPTG-UHFFFAOYSA-N 1 2 350.378 3.327 20 5 FGBDLO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000477860217 501811605 /nfs/dbraw/zinc/81/16/05/501811605.db2.gz WAUFWUDLFBPOTR-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956734 501869162 /nfs/dbraw/zinc/86/91/62/501869162.db2.gz UHUZJZLMUUXEIH-SCZZXKLOSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956734 501869164 /nfs/dbraw/zinc/86/91/64/501869164.db2.gz UHUZJZLMUUXEIH-SCZZXKLOSA-N 1 2 365.739 3.459 20 5 FGBDLO Cc1cc(NCc2nnc(C(C)C)s2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467794382 501876067 /nfs/dbraw/zinc/87/60/67/501876067.db2.gz GWVZXPNRKRQMJE-UHFFFAOYSA-N 1 2 370.438 3.369 20 5 FGBDLO Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC000474663703 501913065 /nfs/dbraw/zinc/91/30/65/501913065.db2.gz ZQEKIKDBPYLBIL-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC000474663703 501913069 /nfs/dbraw/zinc/91/30/69/501913069.db2.gz ZQEKIKDBPYLBIL-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000478367424 501956263 /nfs/dbraw/zinc/95/62/63/501956263.db2.gz GAJQBYCVPGBZFN-HNNXBMFYSA-N 1 2 370.453 3.087 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000599041335 506290242 /nfs/dbraw/zinc/29/02/42/506290242.db2.gz YXAHCOBYXAQEGZ-CQSZACIVSA-N 1 2 364.409 3.065 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844822 502116338 /nfs/dbraw/zinc/11/63/38/502116338.db2.gz CGILWUOAXAUKSY-HNAYVOBHSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844822 502116343 /nfs/dbraw/zinc/11/63/43/502116343.db2.gz CGILWUOAXAUKSY-HNAYVOBHSA-N 1 2 372.421 3.444 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483199044 502312213 /nfs/dbraw/zinc/31/22/13/502312213.db2.gz RGPODKCDOJPAEZ-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483399089 502374515 /nfs/dbraw/zinc/37/45/15/502374515.db2.gz AYTQQEAYYQKFQP-LJQANCHMSA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483399089 502374516 /nfs/dbraw/zinc/37/45/16/502374516.db2.gz AYTQQEAYYQKFQP-LJQANCHMSA-N 1 2 357.385 3.336 20 5 FGBDLO Cc1cc(N2CCC[C@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)n(C)n1 ZINC000599074447 506309720 /nfs/dbraw/zinc/30/97/20/506309720.db2.gz RWVMJCXSFLRHBO-HNNXBMFYSA-N 1 2 366.425 3.266 20 5 FGBDLO Cc1ccccc1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccn1 ZINC000602835878 506320168 /nfs/dbraw/zinc/32/01/68/506320168.db2.gz KJYNUUJUGVWQSK-UHFFFAOYSA-N 1 2 351.410 3.234 20 5 FGBDLO Cc1ccccc1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccn1 ZINC000602835878 506320176 /nfs/dbraw/zinc/32/01/76/506320176.db2.gz KJYNUUJUGVWQSK-UHFFFAOYSA-N 1 2 351.410 3.234 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000602841629 506322483 /nfs/dbraw/zinc/32/24/83/506322483.db2.gz UMVHFXIUZHVBIY-INIZCTEOSA-N 1 2 354.414 3.203 20 5 FGBDLO O=C1CCCN1[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599086846 506318125 /nfs/dbraw/zinc/31/81/25/506318125.db2.gz VIOPESFSFGIXQZ-HNNXBMFYSA-N 1 2 354.410 3.124 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000602841629 506322488 /nfs/dbraw/zinc/32/24/88/506322488.db2.gz UMVHFXIUZHVBIY-INIZCTEOSA-N 1 2 354.414 3.203 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000602842247 506324528 /nfs/dbraw/zinc/32/45/28/506324528.db2.gz RDHJZZLKBNCKTP-SNVBAGLBSA-N 1 2 362.821 3.322 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000602842247 506324530 /nfs/dbraw/zinc/32/45/30/506324530.db2.gz RDHJZZLKBNCKTP-SNVBAGLBSA-N 1 2 362.821 3.322 20 5 FGBDLO CS(=O)(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCCC1 ZINC000599108613 506326631 /nfs/dbraw/zinc/32/66/31/506326631.db2.gz SJAHICBGMXAMSD-UHFFFAOYSA-N 1 2 363.439 3.302 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000477018288 502650098 /nfs/dbraw/zinc/65/00/98/502650098.db2.gz QMZKWJVUGCBUMK-UHFFFAOYSA-N 1 2 374.347 3.156 20 5 FGBDLO Cc1cc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000473772725 502703385 /nfs/dbraw/zinc/70/33/85/502703385.db2.gz AEQUYWVWINQLCS-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000488821680 502819511 /nfs/dbraw/zinc/81/95/11/502819511.db2.gz VXJOHUVAQQQSIZ-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO COc1ccc(OCC[N@H+]2[C@H](c3ccccc3)COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000501061423 502924538 /nfs/dbraw/zinc/92/45/38/502924538.db2.gz FGHSCRLUBRDLCR-KXBFYZLASA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@@H+]2[C@H](c3ccccc3)COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000501061423 502924541 /nfs/dbraw/zinc/92/45/41/502924541.db2.gz FGHSCRLUBRDLCR-KXBFYZLASA-N 1 2 372.421 3.444 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505557250 502934591 /nfs/dbraw/zinc/93/45/91/502934591.db2.gz HTXMXXICKPDSMI-MRXNPFEDSA-N 1 2 363.776 3.174 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000588807454 506343497 /nfs/dbraw/zinc/34/34/97/506343497.db2.gz IIRNIQSEGIYOBS-HNNXBMFYSA-N 1 2 370.413 3.063 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000489657035 503005595 /nfs/dbraw/zinc/00/55/95/503005595.db2.gz PWHAKYGLZMHMGW-UHFFFAOYSA-N 1 2 355.373 3.197 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3ccccc3OC)CC2)c1 ZINC000593036264 506350789 /nfs/dbraw/zinc/35/07/89/506350789.db2.gz WNOQDZMMOPDYNA-UHFFFAOYSA-N 1 2 356.378 3.169 20 5 FGBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506281292 503085197 /nfs/dbraw/zinc/08/51/97/503085197.db2.gz RPKMBYFQINOWOP-MRXNPFEDSA-N 1 2 374.393 3.391 20 5 FGBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506281292 503085201 /nfs/dbraw/zinc/08/52/01/503085201.db2.gz RPKMBYFQINOWOP-MRXNPFEDSA-N 1 2 374.393 3.391 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000510358850 503098560 /nfs/dbraw/zinc/09/85/60/503098560.db2.gz ARWFZGBPEGUQOI-KRWDZBQOSA-N 1 2 369.425 3.154 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH+]c2c1 ZINC000498180126 503125459 /nfs/dbraw/zinc/12/54/59/503125459.db2.gz YUIXOJYIMFXTHY-UHFFFAOYSA-N 1 2 361.361 3.029 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000498750480 503256648 /nfs/dbraw/zinc/25/66/48/503256648.db2.gz IAFRXGCLVGSNBD-CSMYWGQOSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000498750480 503256650 /nfs/dbraw/zinc/25/66/50/503256650.db2.gz IAFRXGCLVGSNBD-CSMYWGQOSA-N 1 2 354.834 3.000 20 5 FGBDLO CSc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000511154375 503270725 /nfs/dbraw/zinc/27/07/25/503270725.db2.gz JCRRRCMNKSGMQG-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000515287175 503307271 /nfs/dbraw/zinc/30/72/71/503307271.db2.gz ILCXWLWAJBDPBP-KRWDZBQOSA-N 1 2 365.389 3.470 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000515287175 503307273 /nfs/dbraw/zinc/30/72/73/503307273.db2.gz ILCXWLWAJBDPBP-KRWDZBQOSA-N 1 2 365.389 3.470 20 5 FGBDLO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000507668345 503343460 /nfs/dbraw/zinc/34/34/60/503343460.db2.gz HWPNFKVUUHNXTJ-UHFFFAOYSA-N 1 2 373.409 3.050 20 5 FGBDLO Cc1ccc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000492626733 503377550 /nfs/dbraw/zinc/37/75/50/503377550.db2.gz IZGPFAFHRMAZSC-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000492911363 503393234 /nfs/dbraw/zinc/39/32/34/503393234.db2.gz KVKWNVOGYMNIEP-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000492911363 503393237 /nfs/dbraw/zinc/39/32/37/503393237.db2.gz KVKWNVOGYMNIEP-FQEVSTJZSA-N 1 2 354.406 3.277 20 5 FGBDLO CCn1cc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cn1 ZINC000593082908 506381453 /nfs/dbraw/zinc/38/14/53/506381453.db2.gz SJYMLCYEIJZDLA-UHFFFAOYSA-N 1 2 360.414 3.088 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cn1 ZINC000593082908 506381462 /nfs/dbraw/zinc/38/14/62/506381462.db2.gz SJYMLCYEIJZDLA-UHFFFAOYSA-N 1 2 360.414 3.088 20 5 FGBDLO O=C(NC1(C(F)F)CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516975770 503635318 /nfs/dbraw/zinc/63/53/18/503635318.db2.gz GRWDIHPSXNZQDL-UHFFFAOYSA-N 1 2 364.352 3.478 20 5 FGBDLO Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000543207562 503679871 /nfs/dbraw/zinc/67/98/71/503679871.db2.gz AFPOHDLTMRXTKP-GJZGRUSLSA-N 1 2 356.426 3.399 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000540318107 503735102 /nfs/dbraw/zinc/73/51/02/503735102.db2.gz HGDNIDNHEVQFEV-OAHLLOKOSA-N 1 2 365.437 3.350 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424123 503764383 /nfs/dbraw/zinc/76/43/83/503764383.db2.gz MBUXLWWLDUCJKO-VBKZILBWSA-N 1 2 369.421 3.193 20 5 FGBDLO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000543547939 503809063 /nfs/dbraw/zinc/80/90/63/503809063.db2.gz HGGJVGCESLCYOT-CQSZACIVSA-N 1 2 368.393 3.298 20 5 FGBDLO COc1cc(C[NH2+]Cc2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543705366 503858876 /nfs/dbraw/zinc/85/88/76/503858876.db2.gz IWSJVMRYLQRGAG-UHFFFAOYSA-N 1 2 373.381 3.302 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546817151 503889751 /nfs/dbraw/zinc/88/97/51/503889751.db2.gz UDVQHXWWQINFTA-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000546817151 503889755 /nfs/dbraw/zinc/88/97/55/503889755.db2.gz UDVQHXWWQINFTA-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cccc([C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000543793363 503896340 /nfs/dbraw/zinc/89/63/40/503896340.db2.gz FSBQUKVQRJVAPK-SFHVURJKSA-N 1 2 370.453 3.400 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000541006179 503972135 /nfs/dbraw/zinc/97/21/35/503972135.db2.gz NYXWXFNXKAXRBF-UHFFFAOYSA-N 1 2 374.416 3.077 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541238281 504055593 /nfs/dbraw/zinc/05/55/93/504055593.db2.gz WKUPBMXGOUPMRS-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO C[C@@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541351225 504101932 /nfs/dbraw/zinc/10/19/32/504101932.db2.gz NGROQLDBHQJULZ-LJQANCHMSA-N 1 2 374.462 3.032 20 5 FGBDLO C[C@@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541351225 504101938 /nfs/dbraw/zinc/10/19/38/504101938.db2.gz NGROQLDBHQJULZ-LJQANCHMSA-N 1 2 374.462 3.032 20 5 FGBDLO CCc1ccc([C@H]([NH2+]CC(=O)NC(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547709 504171367 /nfs/dbraw/zinc/17/13/67/504171367.db2.gz QRVXUKOFXWEAIM-GOSISDBHSA-N 1 2 359.426 3.344 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544624257 504196831 /nfs/dbraw/zinc/19/68/31/504196831.db2.gz OVWGEOSQLPSZBG-UHFFFAOYSA-N 1 2 357.345 3.214 20 5 FGBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541923188 504303676 /nfs/dbraw/zinc/30/36/76/504303676.db2.gz JERDOVNDARRQKH-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541923188 504303680 /nfs/dbraw/zinc/30/36/80/504303680.db2.gz JERDOVNDARRQKH-UHFFFAOYSA-N 1 2 357.439 3.474 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccn3)n2)c1 ZINC000531439631 504307004 /nfs/dbraw/zinc/30/70/04/504307004.db2.gz CDFUUPSRKPOVRY-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccccn3)n2)c1 ZINC000531439631 504307009 /nfs/dbraw/zinc/30/70/09/504307009.db2.gz CDFUUPSRKPOVRY-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000548615569 504497416 /nfs/dbraw/zinc/49/74/16/504497416.db2.gz XWJSNURGVURLAH-UHFFFAOYSA-N 1 2 352.394 3.485 20 5 FGBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000535784428 504543715 /nfs/dbraw/zinc/54/37/15/504543715.db2.gz QBVDNPIRAJBYMT-UHFFFAOYSA-N 1 2 371.462 3.378 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000548744598 504549319 /nfs/dbraw/zinc/54/93/19/504549319.db2.gz ZHXLDSFFEHCXHX-MRXNPFEDSA-N 1 2 369.356 3.379 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000542863111 504638934 /nfs/dbraw/zinc/63/89/34/504638934.db2.gz BQDQAZKUBWQVBT-UHFFFAOYSA-N 1 2 370.457 3.155 20 5 FGBDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000562395251 504805811 /nfs/dbraw/zinc/80/58/11/504805811.db2.gz VXMQIZCMQXAYIH-KSSFIOAISA-N 1 2 364.405 3.338 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000559454030 504866467 /nfs/dbraw/zinc/86/64/67/504866467.db2.gz LTNVMXDGAJEJHR-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO COc1cc(CNc2[nH+]c3ccccc3n2C(C)C)cc([N+](=O)[O-])c1O ZINC000565550203 504919748 /nfs/dbraw/zinc/91/97/48/504919748.db2.gz VCQCAYOXLOTDQP-UHFFFAOYSA-N 1 2 356.382 3.274 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000549930943 504937692 /nfs/dbraw/zinc/93/76/92/504937692.db2.gz FVDLXNYIRJJODM-AWEZNQCLSA-N 1 2 356.300 3.142 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000562886616 504975902 /nfs/dbraw/zinc/97/59/02/504975902.db2.gz MVEHMHAEAJQZCM-HUUCEWRRSA-N 1 2 354.410 3.431 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000566064599 505070100 /nfs/dbraw/zinc/07/01/00/505070100.db2.gz NOVWHPGCVOHATL-JTQLQIEISA-N 1 2 351.147 3.171 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000566064599 505070103 /nfs/dbraw/zinc/07/01/03/505070103.db2.gz NOVWHPGCVOHATL-JTQLQIEISA-N 1 2 351.147 3.171 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000554080956 505083989 /nfs/dbraw/zinc/08/39/89/505083989.db2.gz BSCPYUAQNIYSMI-UHFFFAOYSA-N 1 2 370.390 3.052 20 5 FGBDLO CC[N@H+](CCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000557478687 505145065 /nfs/dbraw/zinc/14/50/65/505145065.db2.gz PGAYVWYRUZZQHM-UHFFFAOYSA-N 1 2 358.398 3.105 20 5 FGBDLO CC[N@@H+](CCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000557478687 505145067 /nfs/dbraw/zinc/14/50/67/505145067.db2.gz PGAYVWYRUZZQHM-UHFFFAOYSA-N 1 2 358.398 3.105 20 5 FGBDLO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000561259108 505295478 /nfs/dbraw/zinc/29/54/78/505295478.db2.gz KWKYSAFVNMOWHX-ABAIWWIYSA-N 1 2 374.268 3.449 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC23CCC3)c1 ZINC000554940256 505304699 /nfs/dbraw/zinc/30/46/99/505304699.db2.gz HCHKVTDLCILTMH-UHFFFAOYSA-N 1 2 358.179 3.328 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC23CCC3)c1 ZINC000554940256 505304702 /nfs/dbraw/zinc/30/47/02/505304702.db2.gz HCHKVTDLCILTMH-UHFFFAOYSA-N 1 2 358.179 3.328 20 5 FGBDLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554969699 505316158 /nfs/dbraw/zinc/31/61/58/505316158.db2.gz RVPMVINBONSLGW-UHFFFAOYSA-N 1 2 351.362 3.243 20 5 FGBDLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554969699 505316162 /nfs/dbraw/zinc/31/61/62/505316162.db2.gz RVPMVINBONSLGW-UHFFFAOYSA-N 1 2 351.362 3.243 20 5 FGBDLO COc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000552035431 505376722 /nfs/dbraw/zinc/37/67/22/505376722.db2.gz XPBMLZOPVFXJNT-SHTZXODSSA-N 1 2 370.409 3.152 20 5 FGBDLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000567251200 505408909 /nfs/dbraw/zinc/40/89/09/505408909.db2.gz NHTQHCHIONHTEW-LBPRGKRZSA-N 1 2 369.849 3.465 20 5 FGBDLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000561745672 505424715 /nfs/dbraw/zinc/42/47/15/505424715.db2.gz IBRKDSOYGOWWSW-UHFFFAOYSA-N 1 2 357.801 3.427 20 5 FGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463133 505436285 /nfs/dbraw/zinc/43/62/85/505436285.db2.gz YQEMAKRAUPXFQY-HSMVNMDESA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463133 505436288 /nfs/dbraw/zinc/43/62/88/505436288.db2.gz YQEMAKRAUPXFQY-HSMVNMDESA-N 1 2 374.359 3.382 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558859827 505512890 /nfs/dbraw/zinc/51/28/90/505512890.db2.gz HKKFJAFFVDIHEE-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000552558644 505514243 /nfs/dbraw/zinc/51/42/43/505514243.db2.gz HEYWMVLQSOUBKA-SECBINFHSA-N 1 2 371.319 3.016 20 5 FGBDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000567796571 505563905 /nfs/dbraw/zinc/56/39/05/505563905.db2.gz DVXCJIYQEMGVTJ-UHFFFAOYSA-N 1 2 353.762 3.048 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000582915909 506487054 /nfs/dbraw/zinc/48/70/54/506487054.db2.gz SOZOAJYWJRLXJL-KRWDZBQOSA-N 1 2 367.384 3.151 20 5 FGBDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1[N+](=O)[O-] ZINC000603581599 506564537 /nfs/dbraw/zinc/56/45/37/506564537.db2.gz DHGFEADPASHCQG-UHFFFAOYSA-N 1 2 357.454 3.112 20 5 FGBDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1[N+](=O)[O-] ZINC000603581599 506564542 /nfs/dbraw/zinc/56/45/42/506564542.db2.gz DHGFEADPASHCQG-UHFFFAOYSA-N 1 2 357.454 3.112 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c1 ZINC000589495763 506568371 /nfs/dbraw/zinc/56/83/71/506568371.db2.gz JWDMTCFHNIKZBA-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c1 ZINC000589495763 506568377 /nfs/dbraw/zinc/56/83/77/506568377.db2.gz JWDMTCFHNIKZBA-UHFFFAOYSA-N 1 2 374.393 3.031 20 5 FGBDLO Cc1noc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000599680146 506577158 /nfs/dbraw/zinc/57/71/58/506577158.db2.gz JXTWIDNRYGTZRI-LBPRGKRZSA-N 1 2 360.197 3.411 20 5 FGBDLO Cc1cc(N2CCC([C@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593505747 506657963 /nfs/dbraw/zinc/65/79/63/506657963.db2.gz NRBSTJJOCCEJHH-CYBMUJFWSA-N 1 2 356.426 3.205 20 5 FGBDLO COc1cc(C[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000612746551 506717901 /nfs/dbraw/zinc/71/79/01/506717901.db2.gz XUKSMJXPDLUSJH-UHFFFAOYSA-N 1 2 372.368 3.207 20 5 FGBDLO COc1cc(C[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000612746551 506717908 /nfs/dbraw/zinc/71/79/08/506717908.db2.gz XUKSMJXPDLUSJH-UHFFFAOYSA-N 1 2 372.368 3.207 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000590326300 506795672 /nfs/dbraw/zinc/79/56/72/506795672.db2.gz FTVNPDNQPWCJDB-UHFFFAOYSA-N 1 2 354.288 3.327 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000590380601 506806480 /nfs/dbraw/zinc/80/64/80/506806480.db2.gz QGCODWOIGUCDKE-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234597 506821292 /nfs/dbraw/zinc/82/12/92/506821292.db2.gz XBTUPRFIPRPLHR-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234597 506821298 /nfs/dbraw/zinc/82/12/98/506821298.db2.gz XBTUPRFIPRPLHR-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604507793 506855277 /nfs/dbraw/zinc/85/52/77/506855277.db2.gz WEZWHQQKGQMLAA-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)o2)c(Cl)c1 ZINC000597248637 506860616 /nfs/dbraw/zinc/86/06/16/506860616.db2.gz BRDQGZVZFKXHKT-UHFFFAOYSA-N 1 2 359.773 3.185 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCc4nn[nH]c4C3)o2)c(Cl)c1 ZINC000597248637 506860620 /nfs/dbraw/zinc/86/06/20/506860620.db2.gz BRDQGZVZFKXHKT-UHFFFAOYSA-N 1 2 359.773 3.185 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000609494981 506899453 /nfs/dbraw/zinc/89/94/53/506899453.db2.gz PHZBIFMVIRKEHE-OKILXGFUSA-N 1 2 372.425 3.224 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000600585805 507018377 /nfs/dbraw/zinc/01/83/77/507018377.db2.gz DNXFSZYZZCVJCY-GOSISDBHSA-N 1 2 360.385 3.040 20 5 FGBDLO CC(C)(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610040586 507079977 /nfs/dbraw/zinc/07/99/77/507079977.db2.gz YCBJHYCVKMADOR-UHFFFAOYSA-N 1 2 368.437 3.053 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)o2)cc1 ZINC000594512708 507162835 /nfs/dbraw/zinc/16/28/35/507162835.db2.gz WIXKTFRRVJTZPT-MRXNPFEDSA-N 1 2 369.381 3.114 20 5 FGBDLO Cc1cccn2cc(C[S@](=O)CCCOc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000600901624 507171392 /nfs/dbraw/zinc/17/13/92/507171392.db2.gz ASEPAIUEIZOMBA-AREMUKBSSA-N 1 2 373.434 3.269 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000597940234 507188992 /nfs/dbraw/zinc/18/89/92/507188992.db2.gz FUVAREINWZZZDF-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610316926 507190207 /nfs/dbraw/zinc/19/02/07/507190207.db2.gz QHNPNMOXYIWUMG-KRWDZBQOSA-N 1 2 365.393 3.434 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000610434926 507237947 /nfs/dbraw/zinc/23/79/47/507237947.db2.gz QTXGYVILTWYDGT-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610644674 507331202 /nfs/dbraw/zinc/33/12/02/507331202.db2.gz ICFVFBDTWZBIOW-GOEBONIOSA-N 1 2 357.414 3.207 20 5 FGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595093346 507388803 /nfs/dbraw/zinc/38/88/03/507388803.db2.gz ABLWSYHJCCLUFF-QZTJIDSGSA-N 1 2 358.442 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000591851252 507391858 /nfs/dbraw/zinc/39/18/58/507391858.db2.gz MCKDTYCBDNRCLL-UKRRQHHQSA-N 1 2 367.243 3.358 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000591851252 507391864 /nfs/dbraw/zinc/39/18/64/507391864.db2.gz MCKDTYCBDNRCLL-UKRRQHHQSA-N 1 2 367.243 3.358 20 5 FGBDLO Cc1noc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000595290435 507447990 /nfs/dbraw/zinc/44/79/90/507447990.db2.gz BRIWMDKFOUDJLN-CYBMUJFWSA-N 1 2 364.833 3.423 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595291663 507448093 /nfs/dbraw/zinc/44/80/93/507448093.db2.gz QEAVLPOQXGTSRC-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595291663 507448098 /nfs/dbraw/zinc/44/80/98/507448098.db2.gz QEAVLPOQXGTSRC-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CC[C@H](O)CC1 ZINC000592130702 507496267 /nfs/dbraw/zinc/49/62/67/507496267.db2.gz JOGIIFJFHOXKMD-WKILWMFISA-N 1 2 372.425 3.161 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1nc(C2CC2)no1)[C@H]1CC[C@H](O)CC1 ZINC000592130702 507496277 /nfs/dbraw/zinc/49/62/77/507496277.db2.gz JOGIIFJFHOXKMD-WKILWMFISA-N 1 2 372.425 3.161 20 5 FGBDLO COc1ccccc1C1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000592142795 507505704 /nfs/dbraw/zinc/50/57/04/507505704.db2.gz FLOMEHUTAUHIKA-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCCC2)O1 ZINC000592189837 507532078 /nfs/dbraw/zinc/53/20/78/507532078.db2.gz XKTHPPDMMCYCKF-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCCC2)O1 ZINC000592189837 507532085 /nfs/dbraw/zinc/53/20/85/507532085.db2.gz XKTHPPDMMCYCKF-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOC3(C1)CCCCCC3)OCCO2 ZINC000611274797 507598544 /nfs/dbraw/zinc/59/85/44/507598544.db2.gz PBIXXWXGKIBNOY-UHFFFAOYSA-N 1 2 362.426 3.291 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOC3(C1)CCCCCC3)OCCO2 ZINC000611274797 507598551 /nfs/dbraw/zinc/59/85/51/507598551.db2.gz PBIXXWXGKIBNOY-UHFFFAOYSA-N 1 2 362.426 3.291 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800643 507636373 /nfs/dbraw/zinc/63/63/73/507636373.db2.gz DHBDDJIESUYZMJ-USXIJHARSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800643 507636377 /nfs/dbraw/zinc/63/63/77/507636377.db2.gz DHBDDJIESUYZMJ-USXIJHARSA-N 1 2 354.834 3.000 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])CCCC2 ZINC000614771617 507647314 /nfs/dbraw/zinc/64/73/14/507647314.db2.gz OLFKNOTULSTRSP-GOSISDBHSA-N 1 2 356.426 3.250 20 5 FGBDLO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000611410123 507670503 /nfs/dbraw/zinc/67/05/03/507670503.db2.gz KXMASZGQNSWHGU-IAQYHMDHSA-N 1 2 364.398 3.303 20 5 FGBDLO COc1cc2c(cc1C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)O[C@H](C)C2 ZINC000602508337 507731765 /nfs/dbraw/zinc/73/17/65/507731765.db2.gz BEORNDFKKNWAJQ-LLVKDONJSA-N 1 2 369.377 3.358 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC000826499986 608532924 /nfs/dbraw/zinc/53/29/24/608532924.db2.gz HIKDNVIXXXBNPP-UHFFFAOYSA-N 1 2 356.411 3.001 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC000826499986 608532925 /nfs/dbraw/zinc/53/29/25/608532925.db2.gz HIKDNVIXXXBNPP-UHFFFAOYSA-N 1 2 356.411 3.001 20 5 FGBDLO O=C(OCc1ccnc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171571112 705388888 /nfs/dbraw/zinc/38/88/88/705388888.db2.gz RERDCDJNPUWMBQ-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373967591 713888796 /nfs/dbraw/zinc/88/87/96/713888796.db2.gz HTURTWRQOJGNEM-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373967591 713888799 /nfs/dbraw/zinc/88/87/99/713888799.db2.gz HTURTWRQOJGNEM-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000731457595 722475517 /nfs/dbraw/zinc/47/55/17/722475517.db2.gz ZOMRHVZSXYXOOS-UHFFFAOYSA-N 1 2 352.391 3.285 20 5 FGBDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862735 722571989 /nfs/dbraw/zinc/57/19/89/722571989.db2.gz JRUFNTQLGCMONV-CQSZACIVSA-N 1 2 350.415 3.170 20 5 FGBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000744424373 722576690 /nfs/dbraw/zinc/57/66/90/722576690.db2.gz VTBGGZZWYJEOGY-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000744424373 722576691 /nfs/dbraw/zinc/57/66/91/722576691.db2.gz VTBGGZZWYJEOGY-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000744424374 722576710 /nfs/dbraw/zinc/57/67/10/722576710.db2.gz VTBGGZZWYJEOGY-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000744424374 722576711 /nfs/dbraw/zinc/57/67/11/722576711.db2.gz VTBGGZZWYJEOGY-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000744428104 722576819 /nfs/dbraw/zinc/57/68/19/722576819.db2.gz GIIFJFGDRPPUBU-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558310 723258512 /nfs/dbraw/zinc/25/85/12/723258512.db2.gz RNMLEFLBYGFPLM-MEDUHNTESA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000791558310 723258514 /nfs/dbraw/zinc/25/85/14/723258514.db2.gz RNMLEFLBYGFPLM-MEDUHNTESA-N 1 2 355.822 3.076 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000770279996 723710114 /nfs/dbraw/zinc/71/01/14/723710114.db2.gz JSPJJCKZDBJVID-KGLIPLIRSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000770279996 723710116 /nfs/dbraw/zinc/71/01/16/723710116.db2.gz JSPJJCKZDBJVID-KGLIPLIRSA-N 1 2 373.272 3.064 20 5 FGBDLO O=C(OCc1ccc(Cl)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000784570801 724864258 /nfs/dbraw/zinc/86/42/58/724864258.db2.gz HUSAGHQQAFSNHL-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805775656 725094017 /nfs/dbraw/zinc/09/40/17/725094017.db2.gz HNDGXUFKSVZWSU-OAHLLOKOSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000805775656 725094019 /nfs/dbraw/zinc/09/40/19/725094019.db2.gz HNDGXUFKSVZWSU-OAHLLOKOSA-N 1 2 353.394 3.225 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(OCCCO)CC1 ZINC000809952801 725278168 /nfs/dbraw/zinc/27/81/68/725278168.db2.gz BOVFDERMCUIBCU-UHFFFAOYSA-N 1 2 363.241 3.265 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810040472 725284296 /nfs/dbraw/zinc/28/42/96/725284296.db2.gz RPEDTEMEUVOEQH-CQSZACIVSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810040472 725284297 /nfs/dbraw/zinc/28/42/97/725284297.db2.gz RPEDTEMEUVOEQH-CQSZACIVSA-N 1 2 367.833 3.491 20 5 FGBDLO CC[NH+](CC)[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112976 726840160 /nfs/dbraw/zinc/84/01/60/726840160.db2.gz MVNMRJGQZZTDBZ-SMDDNHRTSA-N 1 2 362.348 3.297 20 5 FGBDLO CC[NH+](CC)[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112974 726840531 /nfs/dbraw/zinc/84/05/31/726840531.db2.gz MVNMRJGQZZTDBZ-FZMZJTMJSA-N 1 2 362.348 3.297 20 5 FGBDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000820632184 729012919 /nfs/dbraw/zinc/01/29/19/729012919.db2.gz FOIUWBDQXYYXFM-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO Cc1cccc(OC[C@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000820632184 729012921 /nfs/dbraw/zinc/01/29/21/729012921.db2.gz FOIUWBDQXYYXFM-MRXNPFEDSA-N 1 2 364.829 3.428 20 5 FGBDLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1O ZINC000821311803 729075102 /nfs/dbraw/zinc/07/51/02/729075102.db2.gz MUUFSHDICYKAAK-DZGCQCFKSA-N 1 2 352.387 3.158 20 5 FGBDLO C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000821924702 729132772 /nfs/dbraw/zinc/13/27/72/729132772.db2.gz RHTMKZCYDLBEIN-GJZGRUSLSA-N 1 2 353.737 3.252 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000828487558 729443950 /nfs/dbraw/zinc/44/39/50/729443950.db2.gz GKBMMCXYGQNNQW-MRXNPFEDSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000828487558 729443951 /nfs/dbraw/zinc/44/39/51/729443951.db2.gz GKBMMCXYGQNNQW-MRXNPFEDSA-N 1 2 357.435 3.233 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836763104 729968891 /nfs/dbraw/zinc/96/88/91/729968891.db2.gz FXURLQMGGYKKLB-MEDUHNTESA-N 1 2 362.817 3.476 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000857057510 732098216 /nfs/dbraw/zinc/09/82/16/732098216.db2.gz ADTDWQXORNDMLN-HNNXBMFYSA-N 1 2 366.826 3.008 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886811358 739304693 /nfs/dbraw/zinc/30/46/93/739304693.db2.gz QMUQHAYZQPRRMV-GFCCVEGCSA-N 1 2 372.265 3.360 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886811358 739304698 /nfs/dbraw/zinc/30/46/98/739304698.db2.gz QMUQHAYZQPRRMV-GFCCVEGCSA-N 1 2 372.265 3.360 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000903222875 743825280 /nfs/dbraw/zinc/82/52/80/743825280.db2.gz NCURJBFFNDUIEX-GFCCVEGCSA-N 1 2 364.471 3.362 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(CCC(F)(F)F)no2)cc1-n1cc[nH+]c1 ZINC000904870107 743981426 /nfs/dbraw/zinc/98/14/26/743981426.db2.gz NIACOKDRSGUDTD-UHFFFAOYSA-N 1 2 353.260 3.325 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021857780 257333838 /nfs/dbraw/zinc/33/38/38/257333838.db2.gz OQKBOPSSPQKEBN-INIZCTEOSA-N 1 2 362.817 3.362 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021857780 257333840 /nfs/dbraw/zinc/33/38/40/257333840.db2.gz OQKBOPSSPQKEBN-INIZCTEOSA-N 1 2 362.817 3.362 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055696425 257347280 /nfs/dbraw/zinc/34/72/80/257347280.db2.gz ODVYTVMUBDLHQL-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049766841 132375516 /nfs/dbraw/zinc/37/55/16/132375516.db2.gz WIDJHXTVTKCXCP-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccn2cc[nH+]c2c1 ZINC000579968168 505654265 /nfs/dbraw/zinc/65/42/65/505654265.db2.gz KZNMFJZGBAIVOF-UHFFFAOYSA-N 1 2 368.396 3.441 20 5 FGBDLO Cc1nn(C)c(NCc2[nH+]ccn2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000081033215 493817485 /nfs/dbraw/zinc/81/74/85/493817485.db2.gz YJROIVWPVIFTAA-UHFFFAOYSA-N 1 2 354.414 3.078 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076494593 493905303 /nfs/dbraw/zinc/90/53/03/493905303.db2.gz PXZLFSVARDSJSR-ZDUSSCGKSA-N 1 2 359.451 3.311 20 5 FGBDLO Cc1sc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076494593 493905305 /nfs/dbraw/zinc/90/53/05/493905305.db2.gz PXZLFSVARDSJSR-ZDUSSCGKSA-N 1 2 359.451 3.311 20 5 FGBDLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069162896 493930916 /nfs/dbraw/zinc/93/09/16/493930916.db2.gz CHWKCDXFYZASEA-SGTLLEGYSA-N 1 2 357.385 3.404 20 5 FGBDLO Cc1cc(NCc2ccc(C(N)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060858342 493956820 /nfs/dbraw/zinc/95/68/20/493956820.db2.gz LXOFOJYDZOZIRE-UHFFFAOYSA-N 1 2 363.377 3.071 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052164167 494008419 /nfs/dbraw/zinc/00/84/19/494008419.db2.gz HCMJGHPRSPFODG-UHFFFAOYSA-N 1 2 358.394 3.492 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052164167 494008422 /nfs/dbraw/zinc/00/84/22/494008422.db2.gz HCMJGHPRSPFODG-UHFFFAOYSA-N 1 2 358.394 3.492 20 5 FGBDLO COc1cccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c1[N+](=O)[O-] ZINC000568442187 505694715 /nfs/dbraw/zinc/69/47/15/505694715.db2.gz XTDCEDUIQWYPQF-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589867 494043430 /nfs/dbraw/zinc/04/34/30/494043430.db2.gz WSPFNFHKGYLSKE-INIZCTEOSA-N 1 2 355.438 3.082 20 5 FGBDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589867 494043433 /nfs/dbraw/zinc/04/34/33/494043433.db2.gz WSPFNFHKGYLSKE-INIZCTEOSA-N 1 2 355.438 3.082 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1F ZINC000007911425 494051585 /nfs/dbraw/zinc/05/15/85/494051585.db2.gz IRMLZZSDGFNRTD-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1F ZINC000007911425 494051589 /nfs/dbraw/zinc/05/15/89/494051589.db2.gz IRMLZZSDGFNRTD-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[C@@H](CCc1ccco1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052841254 494066930 /nfs/dbraw/zinc/06/69/30/494066930.db2.gz FZEADGKDUIYADP-ZDUSSCGKSA-N 1 2 354.366 3.125 20 5 FGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc[nH+]c1N(C)C ZINC000064784973 494149348 /nfs/dbraw/zinc/14/93/48/494149348.db2.gz PRXPDJILPWEOQU-SNVBAGLBSA-N 1 2 364.789 3.115 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815058 494169646 /nfs/dbraw/zinc/16/96/46/494169646.db2.gz MVIXZFLIKSSYSM-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815058 494169649 /nfs/dbraw/zinc/16/96/49/494169649.db2.gz MVIXZFLIKSSYSM-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072529263 494194356 /nfs/dbraw/zinc/19/43/56/494194356.db2.gz FAODTZQNIPUEQG-INIZCTEOSA-N 1 2 350.378 3.042 20 5 FGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)C1 ZINC000054277833 494215666 /nfs/dbraw/zinc/21/56/66/494215666.db2.gz ZFRBDCRSLQGNIV-JTQLQIEISA-N 1 2 350.400 3.129 20 5 FGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)C1 ZINC000054277833 494215672 /nfs/dbraw/zinc/21/56/72/494215672.db2.gz ZFRBDCRSLQGNIV-JTQLQIEISA-N 1 2 350.400 3.129 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836285 494260785 /nfs/dbraw/zinc/26/07/85/494260785.db2.gz UDHYRCRJZGPQDO-LRDDRELGSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836285 494260802 /nfs/dbraw/zinc/26/08/02/494260802.db2.gz UDHYRCRJZGPQDO-LRDDRELGSA-N 1 2 367.471 3.004 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599530 494327042 /nfs/dbraw/zinc/32/70/42/494327042.db2.gz XGFCTYAOJINLEE-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599530 494327045 /nfs/dbraw/zinc/32/70/45/494327045.db2.gz XGFCTYAOJINLEE-QGZVFWFLSA-N 1 2 359.813 3.486 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC000055409019 494339458 /nfs/dbraw/zinc/33/94/58/494339458.db2.gz ANSKVVGJLHLMBJ-UHFFFAOYSA-N 1 2 352.350 3.188 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000073413718 494368885 /nfs/dbraw/zinc/36/88/85/494368885.db2.gz SZJXXFBHRLXZLC-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000016554318 494394031 /nfs/dbraw/zinc/39/40/31/494394031.db2.gz BTSAOXUIFOUDND-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000016554318 494394033 /nfs/dbraw/zinc/39/40/33/494394033.db2.gz BTSAOXUIFOUDND-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000018232305 494429966 /nfs/dbraw/zinc/42/99/66/494429966.db2.gz YTDZQSYFABZVPK-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000018232305 494429970 /nfs/dbraw/zinc/42/99/70/494429970.db2.gz YTDZQSYFABZVPK-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079624660 494496184 /nfs/dbraw/zinc/49/61/84/494496184.db2.gz LBVOCJFDJVSEEM-UHFFFAOYSA-N 1 2 352.394 3.304 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000024368173 494624341 /nfs/dbraw/zinc/62/43/41/494624341.db2.gz SFHCBMXGACALEJ-UHFFFAOYSA-N 1 2 363.421 3.169 20 5 FGBDLO COc1ccccc1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000091771981 494675141 /nfs/dbraw/zinc/67/51/41/494675141.db2.gz BUAFRDHWXZDTJL-GOSISDBHSA-N 1 2 372.421 3.490 20 5 FGBDLO COc1ccccc1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000091771981 494675144 /nfs/dbraw/zinc/67/51/44/494675144.db2.gz BUAFRDHWXZDTJL-GOSISDBHSA-N 1 2 372.421 3.490 20 5 FGBDLO CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000092596223 494682125 /nfs/dbraw/zinc/68/21/25/494682125.db2.gz PMSZJAVOMQQLMR-UHFFFAOYSA-N 1 2 362.389 3.068 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000092601373 494684265 /nfs/dbraw/zinc/68/42/65/494684265.db2.gz VSVIBINYMDVWBP-LRDDRELGSA-N 1 2 356.426 3.440 20 5 FGBDLO CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000075295604 494720346 /nfs/dbraw/zinc/72/03/46/494720346.db2.gz NFAPRCSEFMKGPK-APWZRJJASA-N 1 2 372.425 3.056 20 5 FGBDLO Cc1cccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000116426339 494783851 /nfs/dbraw/zinc/78/38/51/494783851.db2.gz STAQEVORMKJMJU-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO COc1ccc(CSCC(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000121550480 494799885 /nfs/dbraw/zinc/79/98/85/494799885.db2.gz QHYGUFGRBQQBLS-UHFFFAOYSA-N 1 2 361.423 3.487 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000075626195 494804997 /nfs/dbraw/zinc/80/49/97/494804997.db2.gz ZRBPPJBEBCXICY-INIZCTEOSA-N 1 2 353.422 3.043 20 5 FGBDLO Cc1ccc(SCCNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347883 494820477 /nfs/dbraw/zinc/82/04/77/494820477.db2.gz GCHSSWSGITWPKQ-UHFFFAOYSA-N 1 2 373.478 3.244 20 5 FGBDLO Cc1ccc(SCCNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347883 494820479 /nfs/dbraw/zinc/82/04/79/494820479.db2.gz GCHSSWSGITWPKQ-UHFFFAOYSA-N 1 2 373.478 3.244 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000121704356 494841822 /nfs/dbraw/zinc/84/18/22/494841822.db2.gz SZQQBOMKCGEZTA-MRXNPFEDSA-N 1 2 368.842 3.124 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420712 494890584 /nfs/dbraw/zinc/89/05/84/494890584.db2.gz LCXVUDLAYGMPQJ-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420712 494890587 /nfs/dbraw/zinc/89/05/87/494890587.db2.gz LCXVUDLAYGMPQJ-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO COCCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093561623 494900199 /nfs/dbraw/zinc/90/01/99/494900199.db2.gz ADJQYXUXMQBVAG-UHFFFAOYSA-N 1 2 374.384 3.214 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000132634888 494902531 /nfs/dbraw/zinc/90/25/31/494902531.db2.gz MLYFEQGYZIUUAS-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000132634888 494902537 /nfs/dbraw/zinc/90/25/37/494902537.db2.gz MLYFEQGYZIUUAS-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093864397 494928468 /nfs/dbraw/zinc/92/84/68/494928468.db2.gz KIFCJDQMXRWWJV-AWEZNQCLSA-N 1 2 366.368 3.439 20 5 FGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093864397 494928471 /nfs/dbraw/zinc/92/84/71/494928471.db2.gz KIFCJDQMXRWWJV-AWEZNQCLSA-N 1 2 366.368 3.439 20 5 FGBDLO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000122163504 494934256 /nfs/dbraw/zinc/93/42/56/494934256.db2.gz AHDNYIGTIZLKQI-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000111240065 495052743 /nfs/dbraw/zinc/05/27/43/495052743.db2.gz FZDSQBAJQOQMQV-ZDUSSCGKSA-N 1 2 373.409 3.331 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000111240065 495052745 /nfs/dbraw/zinc/05/27/45/495052745.db2.gz FZDSQBAJQOQMQV-ZDUSSCGKSA-N 1 2 373.409 3.331 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000128191178 495058823 /nfs/dbraw/zinc/05/88/23/495058823.db2.gz TXGSXBSTHBASFR-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000128191178 495058827 /nfs/dbraw/zinc/05/88/27/495058827.db2.gz TXGSXBSTHBASFR-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc21 ZINC000135225263 495265655 /nfs/dbraw/zinc/26/56/55/495265655.db2.gz IYSUTTUURIEULP-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc21 ZINC000135225263 495265658 /nfs/dbraw/zinc/26/56/58/495265658.db2.gz IYSUTTUURIEULP-UHFFFAOYSA-N 1 2 351.406 3.149 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000124363586 495276636 /nfs/dbraw/zinc/27/66/36/495276636.db2.gz QYNNKUSIYWLORS-UHFFFAOYSA-N 1 2 354.341 3.491 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(Cl)cn1C ZINC000120143971 495315003 /nfs/dbraw/zinc/31/50/03/495315003.db2.gz MGUTWFFJWRQHSE-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120143971 495315005 /nfs/dbraw/zinc/31/50/05/495315005.db2.gz MGUTWFFJWRQHSE-NSHDSACASA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113278 495424309 /nfs/dbraw/zinc/42/43/09/495424309.db2.gz VSLVVXAWYXOIRQ-LSDHHAIUSA-N 1 2 371.441 3.054 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120713077 495441216 /nfs/dbraw/zinc/44/12/16/495441216.db2.gz BWRWFPURHPKOKY-LBPRGKRZSA-N 1 2 362.817 3.077 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000140247599 495491556 /nfs/dbraw/zinc/49/15/56/495491556.db2.gz CYFMJMIRYFQXDY-GOSISDBHSA-N 1 2 354.410 3.098 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000140247599 495491559 /nfs/dbraw/zinc/49/15/59/495491559.db2.gz CYFMJMIRYFQXDY-GOSISDBHSA-N 1 2 354.410 3.098 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000154242732 495555453 /nfs/dbraw/zinc/55/54/53/495555453.db2.gz STPJLQMEXNMGMD-MRXNPFEDSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000154242732 495555459 /nfs/dbraw/zinc/55/54/59/495555459.db2.gz STPJLQMEXNMGMD-MRXNPFEDSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000173584481 495598596 /nfs/dbraw/zinc/59/85/96/495598596.db2.gz PODDDLKKQBTCQP-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000173584481 495598601 /nfs/dbraw/zinc/59/86/01/495598601.db2.gz PODDDLKKQBTCQP-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO COc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000182700036 495668611 /nfs/dbraw/zinc/66/86/11/495668611.db2.gz DJMZMIMSUWTOLB-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO COc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000182700036 495668615 /nfs/dbraw/zinc/66/86/15/495668615.db2.gz DJMZMIMSUWTOLB-UHFFFAOYSA-N 1 2 356.378 3.028 20 5 FGBDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185844494 495747109 /nfs/dbraw/zinc/74/71/09/495747109.db2.gz CPLSWYCNHPXANP-UHFFFAOYSA-N 1 2 356.382 3.212 20 5 FGBDLO CSc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000186145682 495872191 /nfs/dbraw/zinc/87/21/91/495872191.db2.gz QSUDCYNJLHQDTK-UHFFFAOYSA-N 1 2 372.450 3.111 20 5 FGBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000155296099 495908695 /nfs/dbraw/zinc/90/86/95/495908695.db2.gz WWEOHBNOUVJGGN-NSHDSACASA-N 1 2 360.801 3.439 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000577899808 505814704 /nfs/dbraw/zinc/81/47/04/505814704.db2.gz PKNJVGXLBAIWEH-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180512681 496027609 /nfs/dbraw/zinc/02/76/09/496027609.db2.gz MQAMRENFNFZNDR-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180512681 496027614 /nfs/dbraw/zinc/02/76/14/496027614.db2.gz MQAMRENFNFZNDR-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177783845 496194152 /nfs/dbraw/zinc/19/41/52/496194152.db2.gz RRNVEGJICSRGGG-UHFFFAOYSA-N 1 2 371.437 3.017 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000162728066 496403647 /nfs/dbraw/zinc/40/36/47/496403647.db2.gz NTHIOTYJHJPGMP-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000574766188 505851268 /nfs/dbraw/zinc/85/12/68/505851268.db2.gz FOCQLBQABSBJHO-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000574766188 505851270 /nfs/dbraw/zinc/85/12/70/505851270.db2.gz FOCQLBQABSBJHO-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000181841227 496568061 /nfs/dbraw/zinc/56/80/61/496568061.db2.gz ZFRCWJIBKXARBE-HNNXBMFYSA-N 1 2 366.425 3.347 20 5 FGBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000184978555 496608469 /nfs/dbraw/zinc/60/84/69/496608469.db2.gz VGBCJLTZARTLCW-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000185029663 496629136 /nfs/dbraw/zinc/62/91/36/496629136.db2.gz QSRCBEJJLIRGLH-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154037807 496663645 /nfs/dbraw/zinc/66/36/45/496663645.db2.gz SMPBMOIUQBONJT-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154037807 496663647 /nfs/dbraw/zinc/66/36/47/496663647.db2.gz SMPBMOIUQBONJT-UHFFFAOYSA-N 1 2 352.394 3.496 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185121724 496669701 /nfs/dbraw/zinc/66/97/01/496669701.db2.gz DYTUJCZIOJZXOG-MRXNPFEDSA-N 1 2 366.421 3.170 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c(c1)OCO2 ZINC000182293002 496726719 /nfs/dbraw/zinc/72/67/19/496726719.db2.gz MRRMLWPCTHSTHG-NSHDSACASA-N 1 2 368.349 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277843454 496907325 /nfs/dbraw/zinc/90/73/25/496907325.db2.gz SIAYJYIEJFLRBT-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277843454 496907330 /nfs/dbraw/zinc/90/73/30/496907330.db2.gz SIAYJYIEJFLRBT-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265842660 497192351 /nfs/dbraw/zinc/19/23/51/497192351.db2.gz QIJBLPQEOWIQDG-INIZCTEOSA-N 1 2 371.441 3.230 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000192737813 497199866 /nfs/dbraw/zinc/19/98/66/497199866.db2.gz JMAPDGLGXOPKAC-CQSZACIVSA-N 1 2 361.421 3.142 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000192737796 497200370 /nfs/dbraw/zinc/20/03/70/497200370.db2.gz JMAPDGLGXOPKAC-AWEZNQCLSA-N 1 2 361.421 3.142 20 5 FGBDLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278872396 497249899 /nfs/dbraw/zinc/24/98/99/497249899.db2.gz BZBFGUFKOBIBDP-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000279289484 497395054 /nfs/dbraw/zinc/39/50/54/497395054.db2.gz YMYVSTCFXIKZPO-GOSISDBHSA-N 1 2 368.437 3.113 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)s1 ZINC000190338941 497442049 /nfs/dbraw/zinc/44/20/49/497442049.db2.gz NJIWUFAYADKYAY-UHFFFAOYSA-N 1 2 355.423 3.053 20 5 FGBDLO CCN(CC)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000194006841 497546410 /nfs/dbraw/zinc/54/64/10/497546410.db2.gz OIZFEHWIYMFFAK-UHFFFAOYSA-N 1 2 369.425 3.333 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338332 497600434 /nfs/dbraw/zinc/60/04/34/497600434.db2.gz YCMZHSJIUKYOLW-JSGCOSHPSA-N 1 2 372.368 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000272338332 497600435 /nfs/dbraw/zinc/60/04/35/497600435.db2.gz YCMZHSJIUKYOLW-JSGCOSHPSA-N 1 2 372.368 3.001 20 5 FGBDLO CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH]cc[nH+]1 ZINC000276590784 497607441 /nfs/dbraw/zinc/60/74/41/497607441.db2.gz KIQJRAWWGCDTNB-QGZVFWFLSA-N 1 2 371.441 3.048 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@@H]2C1 ZINC000246183625 497652087 /nfs/dbraw/zinc/65/20/87/497652087.db2.gz DEBFDXYZGLQVKN-LMMKCTJWSA-N 1 2 364.442 3.150 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@@H]2C1 ZINC000246183625 497652094 /nfs/dbraw/zinc/65/20/94/497652094.db2.gz DEBFDXYZGLQVKN-LMMKCTJWSA-N 1 2 364.442 3.150 20 5 FGBDLO COCc1cccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272562698 497663935 /nfs/dbraw/zinc/66/39/35/497663935.db2.gz UIESUTFZCPLVJC-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000285332769 498054678 /nfs/dbraw/zinc/05/46/78/498054678.db2.gz OBMQXTWFRKOIOK-UHFFFAOYSA-N 1 2 357.410 3.100 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000285332769 498054672 /nfs/dbraw/zinc/05/46/72/498054672.db2.gz OBMQXTWFRKOIOK-UHFFFAOYSA-N 1 2 357.410 3.100 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)cc1OC(F)F ZINC000301330864 498059366 /nfs/dbraw/zinc/05/93/66/498059366.db2.gz AVSMGUJKZASMEL-UHFFFAOYSA-N 1 2 361.308 3.389 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301486042 498131298 /nfs/dbraw/zinc/13/12/98/498131298.db2.gz ZQIGGIFOQQHHEJ-UHFFFAOYSA-N 1 2 368.422 3.185 20 5 FGBDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285606257 498143570 /nfs/dbraw/zinc/14/35/70/498143570.db2.gz LSEZWEPFYFAHDZ-GFCCVEGCSA-N 1 2 365.384 3.425 20 5 FGBDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285606257 498143579 /nfs/dbraw/zinc/14/35/79/498143579.db2.gz LSEZWEPFYFAHDZ-GFCCVEGCSA-N 1 2 365.384 3.425 20 5 FGBDLO O=C1OCCC12CC[NH+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000359866720 498225876 /nfs/dbraw/zinc/22/58/76/498225876.db2.gz GIFOIIMTNPMCTE-UHFFFAOYSA-N 1 2 373.434 3.247 20 5 FGBDLO COC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1[N+](=O)[O-] ZINC000301699670 498229951 /nfs/dbraw/zinc/22/99/51/498229951.db2.gz RQZHWSZQMYGJIW-UHFFFAOYSA-N 1 2 366.377 3.488 20 5 FGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCNc1ccccc1[N+](=O)[O-] ZINC000301825070 498281144 /nfs/dbraw/zinc/28/11/44/498281144.db2.gz DLQWOWWOELSWLP-UHFFFAOYSA-N 1 2 355.402 3.014 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000331309120 498297970 /nfs/dbraw/zinc/29/79/70/498297970.db2.gz GYAUYMFYQNCTIJ-LBPRGKRZSA-N 1 2 373.425 3.240 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)c1 ZINC000365337852 498411240 /nfs/dbraw/zinc/41/12/40/498411240.db2.gz RHMHTLSGKYCFMR-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)c1 ZINC000365337852 498411243 /nfs/dbraw/zinc/41/12/43/498411243.db2.gz RHMHTLSGKYCFMR-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000578831996 506031231 /nfs/dbraw/zinc/03/12/31/506031231.db2.gz KCMVMVUGUPWCQQ-VKDHPCIHSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000578831996 506031234 /nfs/dbraw/zinc/03/12/34/506031234.db2.gz KCMVMVUGUPWCQQ-VKDHPCIHSA-N 1 2 374.372 3.213 20 5 FGBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc[nH+]1 ZINC000302164624 498424000 /nfs/dbraw/zinc/42/40/00/498424000.db2.gz QPSXDDLXDVPKSB-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO CCc1cc(NCCC2(C)OCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302178926 498430263 /nfs/dbraw/zinc/43/02/63/498430263.db2.gz YJDJENDKHSJTCS-UHFFFAOYSA-N 1 2 358.398 3.179 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc([N+](=O)[O-])c1 ZINC000282357087 498478677 /nfs/dbraw/zinc/47/86/77/498478677.db2.gz PNTNEIBCCIYBKW-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000365471883 498484476 /nfs/dbraw/zinc/48/44/76/498484476.db2.gz LUZDAXDEYIVWAJ-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303367489 498668370 /nfs/dbraw/zinc/66/83/70/498668370.db2.gz KPBVKTOJTXBLHJ-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303367489 498668375 /nfs/dbraw/zinc/66/83/75/498668375.db2.gz KPBVKTOJTXBLHJ-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO C[C@]12CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1C2(F)F ZINC000298213699 498696609 /nfs/dbraw/zinc/69/66/09/498696609.db2.gz DVIKTTNNZMLCHN-DOMZBBRYSA-N 1 2 350.325 3.122 20 5 FGBDLO C[C@]12CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1C2(F)F ZINC000298213699 498696620 /nfs/dbraw/zinc/69/66/20/498696620.db2.gz DVIKTTNNZMLCHN-DOMZBBRYSA-N 1 2 350.325 3.122 20 5 FGBDLO CCc1nnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000290909219 498719946 /nfs/dbraw/zinc/71/99/46/498719946.db2.gz WDJYLDQXILNWNO-UHFFFAOYSA-N 1 2 356.411 3.386 20 5 FGBDLO Cc1cc(C2=CC[N@H+](Cc3ncc([C@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000366061414 498756169 /nfs/dbraw/zinc/75/61/69/498756169.db2.gz OQLRLBFUHOVZBX-LBPRGKRZSA-N 1 2 374.466 3.285 20 5 FGBDLO Cc1cc(C2=CC[N@@H+](Cc3ncc([C@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000366061414 498756175 /nfs/dbraw/zinc/75/61/75/498756175.db2.gz OQLRLBFUHOVZBX-LBPRGKRZSA-N 1 2 374.466 3.285 20 5 FGBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])CCCCC2)no1 ZINC000298405608 498760627 /nfs/dbraw/zinc/76/06/27/498760627.db2.gz HMQRFOROYJJXCN-UHFFFAOYSA-N 1 2 373.413 3.064 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000366071981 498762196 /nfs/dbraw/zinc/76/21/96/498762196.db2.gz GSOGSNJLOQGPSY-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000366071981 498762205 /nfs/dbraw/zinc/76/22/05/498762205.db2.gz GSOGSNJLOQGPSY-LBPRGKRZSA-N 1 2 374.359 3.384 20 5 FGBDLO C[C@H](O)c1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000366116705 498783527 /nfs/dbraw/zinc/78/35/27/498783527.db2.gz JSQBAUQJTZRVTB-LBPRGKRZSA-N 1 2 363.439 3.148 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000294796044 498808191 /nfs/dbraw/zinc/80/81/91/498808191.db2.gz BMNVFORMWKSTRG-ZBEGNZNMSA-N 1 2 362.817 3.476 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000372524587 499138909 /nfs/dbraw/zinc/13/89/09/499138909.db2.gz RUSADRWLKKYJPX-NVXWUHKLSA-N 1 2 356.426 3.261 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083746 499146285 /nfs/dbraw/zinc/14/62/85/499146285.db2.gz IOEYHXRXKDMSLD-KRWDZBQOSA-N 1 2 368.437 3.074 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000367232095 499165496 /nfs/dbraw/zinc/16/54/96/499165496.db2.gz SEJSUQHGCSOCMT-AWEZNQCLSA-N 1 2 366.311 3.022 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000367232095 499165497 /nfs/dbraw/zinc/16/54/97/499165497.db2.gz SEJSUQHGCSOCMT-AWEZNQCLSA-N 1 2 366.311 3.022 20 5 FGBDLO Cc1ccc2c(C3=CC[N@H+](Cc4c([N+](=O)[O-])ncn4C)CC3)c[nH]c2c1 ZINC000370035315 499169268 /nfs/dbraw/zinc/16/92/68/499169268.db2.gz DADHNHQXHZRZSI-UHFFFAOYSA-N 1 2 351.410 3.407 20 5 FGBDLO Cc1ccc2c(C3=CC[N@@H+](Cc4c([N+](=O)[O-])ncn4C)CC3)c[nH]c2c1 ZINC000370035315 499169270 /nfs/dbraw/zinc/16/92/70/499169270.db2.gz DADHNHQXHZRZSI-UHFFFAOYSA-N 1 2 351.410 3.407 20 5 FGBDLO Cc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371003183 499279426 /nfs/dbraw/zinc/27/94/26/499279426.db2.gz GRQWHJCWZFWCGN-JKSUJKDBSA-N 1 2 354.410 3.223 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000371334636 499311965 /nfs/dbraw/zinc/31/19/65/499311965.db2.gz HEDGBHMLYHHCQV-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000371334636 499311967 /nfs/dbraw/zinc/31/19/67/499311967.db2.gz HEDGBHMLYHHCQV-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO CCCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000371411678 499322894 /nfs/dbraw/zinc/32/28/94/499322894.db2.gz PLKBFWMLCZBSSI-UHFFFAOYSA-N 1 2 371.384 3.031 20 5 FGBDLO CCCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000371411678 499322896 /nfs/dbraw/zinc/32/28/96/499322896.db2.gz PLKBFWMLCZBSSI-UHFFFAOYSA-N 1 2 371.384 3.031 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3ncon3)o2)c1 ZINC000369008862 499356623 /nfs/dbraw/zinc/35/66/23/499356623.db2.gz GWOKFYJLCYFGCL-CQSZACIVSA-N 1 2 355.354 3.012 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3c3ncon3)o2)c1 ZINC000369008862 499356625 /nfs/dbraw/zinc/35/66/25/499356625.db2.gz GWOKFYJLCYFGCL-CQSZACIVSA-N 1 2 355.354 3.012 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)c1 ZINC000369019574 499358098 /nfs/dbraw/zinc/35/80/98/499358098.db2.gz QNXZDQSPPGFQII-CYBMUJFWSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)c1 ZINC000369019574 499358100 /nfs/dbraw/zinc/35/81/00/499358100.db2.gz QNXZDQSPPGFQII-CYBMUJFWSA-N 1 2 359.411 3.345 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000369093432 499365092 /nfs/dbraw/zinc/36/50/92/499365092.db2.gz VMVHPQJGVHWXIG-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000369093432 499365094 /nfs/dbraw/zinc/36/50/94/499365094.db2.gz VMVHPQJGVHWXIG-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372247412 499412875 /nfs/dbraw/zinc/41/28/75/499412875.db2.gz ABQRDLQATKKPBW-UONOGXRCSA-N 1 2 374.466 3.274 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373334091 499463981 /nfs/dbraw/zinc/46/39/81/499463981.db2.gz OGTMDMBLJOGJJY-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)n2)cc1 ZINC000375314507 499506491 /nfs/dbraw/zinc/50/64/91/499506491.db2.gz NBXFJGNXKLDOCT-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)n2)cc1 ZINC000375314507 499506493 /nfs/dbraw/zinc/50/64/93/499506493.db2.gz NBXFJGNXKLDOCT-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000375642742 499540700 /nfs/dbraw/zinc/54/07/00/499540700.db2.gz SFOYPHSHEJNCJZ-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000408102361 499576391 /nfs/dbraw/zinc/57/63/91/499576391.db2.gz FGTFQBCRURKEHZ-QMTHXVAHSA-N 1 2 360.241 3.059 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC000377964855 499751608 /nfs/dbraw/zinc/75/16/08/499751608.db2.gz WHUPXXUEAOMOPP-ZYHUDNBSSA-N 1 2 369.347 3.162 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411876793 499798746 /nfs/dbraw/zinc/79/87/46/499798746.db2.gz QKFDKFASYBZKQJ-BLLLJJGKSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411876793 499798748 /nfs/dbraw/zinc/79/87/48/499798748.db2.gz QKFDKFASYBZKQJ-BLLLJJGKSA-N 1 2 358.398 3.207 20 5 FGBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000412023341 499814021 /nfs/dbraw/zinc/81/40/21/499814021.db2.gz CDSZYJIZRBCXJA-ZDUSSCGKSA-N 1 2 361.398 3.354 20 5 FGBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000412023341 499814023 /nfs/dbraw/zinc/81/40/23/499814023.db2.gz CDSZYJIZRBCXJA-ZDUSSCGKSA-N 1 2 361.398 3.354 20 5 FGBDLO O=C(CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000413055557 499907782 /nfs/dbraw/zinc/90/77/82/499907782.db2.gz BDUIVOSKVWLDFO-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO Cc1csc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413054271 499907885 /nfs/dbraw/zinc/90/78/85/499907885.db2.gz PRGLFPSNRFSEFN-UHFFFAOYSA-N 1 2 355.423 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4nncn4C4CC4)CC3)c2c1 ZINC000413149784 499919883 /nfs/dbraw/zinc/91/98/83/499919883.db2.gz SINYXRQONBIXIQ-UHFFFAOYSA-N 1 2 364.409 3.453 20 5 FGBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000413326207 499941625 /nfs/dbraw/zinc/94/16/25/499941625.db2.gz KTDLUJCTCPTVAB-BBWFWOEESA-N 1 2 353.382 3.170 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158602 500016214 /nfs/dbraw/zinc/01/62/14/500016214.db2.gz YGZBDXQWMLDTQJ-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158602 500016218 /nfs/dbraw/zinc/01/62/18/500016218.db2.gz YGZBDXQWMLDTQJ-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429164089 500016914 /nfs/dbraw/zinc/01/69/14/500016914.db2.gz PNBLJGHUIGGLAY-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429164089 500016918 /nfs/dbraw/zinc/01/69/18/500016918.db2.gz PNBLJGHUIGGLAY-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421845478 500163600 /nfs/dbraw/zinc/16/36/00/500163600.db2.gz XIMCGMZRNCIHKF-UHFFFAOYSA-N 1 2 363.801 3.054 20 5 FGBDLO CCCc1nc(C)c(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000426337985 500262192 /nfs/dbraw/zinc/26/21/92/500262192.db2.gz OQJMEGMUSFYHAK-GOSISDBHSA-N 1 2 369.425 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000420494943 500466518 /nfs/dbraw/zinc/46/65/18/500466518.db2.gz ZJAOEHCQVHRIGH-MWDXBVQZSA-N 1 2 370.409 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000420494943 500466519 /nfs/dbraw/zinc/46/65/19/500466519.db2.gz ZJAOEHCQVHRIGH-MWDXBVQZSA-N 1 2 370.409 3.175 20 5 FGBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442748955 500619723 /nfs/dbraw/zinc/61/97/23/500619723.db2.gz GEKSJDZYQVZQLG-UHFFFAOYSA-N 1 2 368.418 3.442 20 5 FGBDLO COC(=O)c1cc(OCc2c[nH+]cn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000437599974 500666790 /nfs/dbraw/zinc/66/67/90/500666790.db2.gz ILEBEMOGBCKBOX-UHFFFAOYSA-N 1 2 367.361 3.205 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121908 500683068 /nfs/dbraw/zinc/68/30/68/500683068.db2.gz XZTMJRSLRSIJQK-DZGCQCFKSA-N 1 2 371.441 3.435 20 5 FGBDLO CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1[nH]cc[nH+]1 ZINC000443129547 500685149 /nfs/dbraw/zinc/68/51/49/500685149.db2.gz NOFCIJJUYXRUJP-LBPRGKRZSA-N 1 2 357.395 3.323 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444011759 500792239 /nfs/dbraw/zinc/79/22/39/500792239.db2.gz UEYSPFSZKVXBQW-UHFFFAOYSA-N 1 2 365.339 3.337 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000444286785 500829499 /nfs/dbraw/zinc/82/94/99/500829499.db2.gz JAZHEWHBACAKFY-GOSISDBHSA-N 1 2 358.401 3.382 20 5 FGBDLO Cc1cc(NCCCO[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439131417 500861328 /nfs/dbraw/zinc/86/13/28/500861328.db2.gz NYTHPGPLKMONLQ-SFHVURJKSA-N 1 2 372.425 3.127 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444684121 500878396 /nfs/dbraw/zinc/87/83/96/500878396.db2.gz KKIHFLWMTWDTRN-LBPRGKRZSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444684121 500878399 /nfs/dbraw/zinc/87/83/99/500878399.db2.gz KKIHFLWMTWDTRN-LBPRGKRZSA-N 1 2 360.414 3.025 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444730398 500889828 /nfs/dbraw/zinc/88/98/28/500889828.db2.gz JBYJSZADVVYJFL-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444730398 500889831 /nfs/dbraw/zinc/88/98/31/500889831.db2.gz JBYJSZADVVYJFL-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449553570 501031385 /nfs/dbraw/zinc/03/13/85/501031385.db2.gz NGZRKQCTCVQPJL-SFHVURJKSA-N 1 2 366.483 3.119 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449553570 501031387 /nfs/dbraw/zinc/03/13/87/501031387.db2.gz NGZRKQCTCVQPJL-SFHVURJKSA-N 1 2 366.483 3.119 20 5 FGBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)Nc2ncc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000450386763 501108189 /nfs/dbraw/zinc/10/81/89/501108189.db2.gz FQSDAIAFNTUISB-INIZCTEOSA-N 1 2 352.398 3.360 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1 ZINC000446735087 501158487 /nfs/dbraw/zinc/15/84/87/501158487.db2.gz INMDHVHZDXYIAB-IBGZPJMESA-N 1 2 351.406 3.149 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCN1c1ccccc1 ZINC000446735087 501158491 /nfs/dbraw/zinc/15/84/91/501158491.db2.gz INMDHVHZDXYIAB-IBGZPJMESA-N 1 2 351.406 3.149 20 5 FGBDLO CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450067961 501170717 /nfs/dbraw/zinc/17/07/17/501170717.db2.gz NLMAOGKCECKHEE-MRXNPFEDSA-N 1 2 372.425 3.058 20 5 FGBDLO CCc1cc(N[C@@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450795999 501210179 /nfs/dbraw/zinc/21/01/79/501210179.db2.gz PNCVPFPAQPTGLG-MRXNPFEDSA-N 1 2 354.410 3.017 20 5 FGBDLO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867644 501224214 /nfs/dbraw/zinc/22/42/14/501224214.db2.gz DSFPBORVRJXWKF-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451980743 501412836 /nfs/dbraw/zinc/41/28/36/501412836.db2.gz REVIHZZMGNEZMD-MRXNPFEDSA-N 1 2 369.874 3.406 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451980743 501412839 /nfs/dbraw/zinc/41/28/39/501412839.db2.gz REVIHZZMGNEZMD-MRXNPFEDSA-N 1 2 369.874 3.406 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456352933 501507758 /nfs/dbraw/zinc/50/77/58/501507758.db2.gz MEQVLXQYFHSLON-VIFPVBQESA-N 1 2 356.304 3.321 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454618283 501593339 /nfs/dbraw/zinc/59/33/39/501593339.db2.gz QHRUKFHVCORLAD-CJNGLKHVSA-N 1 2 371.441 3.490 20 5 FGBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459588464 501682439 /nfs/dbraw/zinc/68/24/39/501682439.db2.gz GZSGKPAFJDODPW-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459588464 501682442 /nfs/dbraw/zinc/68/24/42/501682442.db2.gz GZSGKPAFJDODPW-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459723046 501704032 /nfs/dbraw/zinc/70/40/32/501704032.db2.gz AKQJCFULYXQDCJ-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459723046 501704033 /nfs/dbraw/zinc/70/40/33/501704033.db2.gz AKQJCFULYXQDCJ-UHFFFAOYSA-N 1 2 359.357 3.087 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463480971 501736431 /nfs/dbraw/zinc/73/64/31/501736431.db2.gz ZLELBIOEXBIVGJ-UHFFFAOYSA-N 1 2 354.403 3.453 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463480971 501736433 /nfs/dbraw/zinc/73/64/33/501736433.db2.gz ZLELBIOEXBIVGJ-UHFFFAOYSA-N 1 2 354.403 3.453 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000460176105 501750022 /nfs/dbraw/zinc/75/00/22/501750022.db2.gz SRKYNFGOTSXJCU-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000467742603 501857021 /nfs/dbraw/zinc/85/70/21/501857021.db2.gz NIIFTSCUKUMWIR-MRVPVSSYSA-N 1 2 374.344 3.359 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481731933 501866120 /nfs/dbraw/zinc/86/61/20/501866120.db2.gz RFJGFTZPJDGDIS-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481731933 501866132 /nfs/dbraw/zinc/86/61/32/501866132.db2.gz RFJGFTZPJDGDIS-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)o2)cc1 ZINC000485714901 501912105 /nfs/dbraw/zinc/91/21/05/501912105.db2.gz FZLWYNAYLBOGKJ-IBGZPJMESA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)o2)cc1 ZINC000485714901 501912109 /nfs/dbraw/zinc/91/21/09/501912109.db2.gz FZLWYNAYLBOGKJ-IBGZPJMESA-N 1 2 372.421 3.482 20 5 FGBDLO COC(=O)c1cnc(Nc2ccc([NH2+]C3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000478266803 501925806 /nfs/dbraw/zinc/92/58/06/501925806.db2.gz ZVXIQHRWIWUQRE-UHFFFAOYSA-N 1 2 372.381 3.111 20 5 FGBDLO C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000468114003 501961309 /nfs/dbraw/zinc/96/13/09/501961309.db2.gz UYFKTXPXDHWYPB-NSHDSACASA-N 1 2 369.406 3.499 20 5 FGBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1Cc1ccccc1 ZINC000464741319 502079532 /nfs/dbraw/zinc/07/95/32/502079532.db2.gz TUIQCUMKOMOQRZ-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1Cc1ccccc1 ZINC000464741319 502079535 /nfs/dbraw/zinc/07/95/35/502079535.db2.gz TUIQCUMKOMOQRZ-UHFFFAOYSA-N 1 2 366.421 3.350 20 5 FGBDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000461367112 502084332 /nfs/dbraw/zinc/08/43/32/502084332.db2.gz AYTPDYVXIMICFN-MRXNPFEDSA-N 1 2 368.437 3.134 20 5 FGBDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000461367112 502084340 /nfs/dbraw/zinc/08/43/40/502084340.db2.gz AYTPDYVXIMICFN-MRXNPFEDSA-N 1 2 368.437 3.134 20 5 FGBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000461374381 502086464 /nfs/dbraw/zinc/08/64/64/502086464.db2.gz GABKYFOBASPTIL-GFCCVEGCSA-N 1 2 362.817 3.095 20 5 FGBDLO C[C@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000482646588 502138430 /nfs/dbraw/zinc/13/84/30/502138430.db2.gz LHDZWVLPFWERNR-HNNXBMFYSA-N 1 2 368.315 3.241 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](OCc2ccccn2)C1 ZINC000599058691 506301064 /nfs/dbraw/zinc/30/10/64/506301064.db2.gz FMUWIZCNDCJKBI-INIZCTEOSA-N 1 2 350.378 3.334 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000599073166 506310359 /nfs/dbraw/zinc/31/03/59/506310359.db2.gz LWOBNVYVJHDDIZ-IAQYHMDHSA-N 1 2 355.316 3.283 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000599084451 506316168 /nfs/dbraw/zinc/31/61/68/506316168.db2.gz XTYKXSHHFLWYDE-PXNSSMCTSA-N 1 2 367.380 3.447 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000462628570 502513388 /nfs/dbraw/zinc/51/33/88/502513388.db2.gz RYQSURHKVUOOST-LPHOPBHVSA-N 1 2 369.421 3.238 20 5 FGBDLO CCn1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC000473132367 502524267 /nfs/dbraw/zinc/52/42/67/502524267.db2.gz LIBHMBXOVDQEKJ-UHFFFAOYSA-N 1 2 365.437 3.287 20 5 FGBDLO CC(C)[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000473286721 502558693 /nfs/dbraw/zinc/55/86/93/502558693.db2.gz GDWBYBXBWRQTQK-HXUWFJFHSA-N 1 2 374.444 3.391 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3ccc(F)cc3F)n1)CC2 ZINC000487924542 502568677 /nfs/dbraw/zinc/56/86/77/502568677.db2.gz UWKRRZYXPKIGMH-UHFFFAOYSA-N 1 2 371.347 3.012 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3ccc(F)cc3F)n1)CC2 ZINC000487924542 502568680 /nfs/dbraw/zinc/56/86/80/502568680.db2.gz UWKRRZYXPKIGMH-UHFFFAOYSA-N 1 2 371.347 3.012 20 5 FGBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)c1 ZINC000599101570 506323708 /nfs/dbraw/zinc/32/37/08/506323708.db2.gz RAXFSRKZSHOCJU-NSHDSACASA-N 1 2 363.215 3.450 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000469948778 502606955 /nfs/dbraw/zinc/60/69/55/502606955.db2.gz ROASPKUGNKOLEF-UHFFFAOYSA-N 1 2 374.441 3.305 20 5 FGBDLO COc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000476987117 502642612 /nfs/dbraw/zinc/64/26/12/502642612.db2.gz WKHVZTGRAVZNQQ-UHFFFAOYSA-N 1 2 368.368 3.491 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000470176466 502694530 /nfs/dbraw/zinc/69/45/30/502694530.db2.gz LMDDTUISKZBVRE-XNTDXEJSSA-N 1 2 356.426 3.112 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000470176466 502694539 /nfs/dbraw/zinc/69/45/39/502694539.db2.gz LMDDTUISKZBVRE-XNTDXEJSSA-N 1 2 356.426 3.112 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000509126458 502828163 /nfs/dbraw/zinc/82/81/63/502828163.db2.gz OCYYPWHPBLMGCZ-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602885544 506338106 /nfs/dbraw/zinc/33/81/06/506338106.db2.gz XWYYOBSDHVABJF-CQSZACIVSA-N 1 2 350.378 3.233 20 5 FGBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266093 502863199 /nfs/dbraw/zinc/86/31/99/502863199.db2.gz XRUZQAMTYVYTNV-OLZOCXBDSA-N 1 2 369.412 3.390 20 5 FGBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266093 502863203 /nfs/dbraw/zinc/86/32/03/502863203.db2.gz XRUZQAMTYVYTNV-OLZOCXBDSA-N 1 2 369.412 3.390 20 5 FGBDLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509276111 502865365 /nfs/dbraw/zinc/86/53/65/502865365.db2.gz ILLPAJLTFYGKBN-GFCCVEGCSA-N 1 2 355.385 3.001 20 5 FGBDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509276111 502865368 /nfs/dbraw/zinc/86/53/68/502865368.db2.gz ILLPAJLTFYGKBN-GFCCVEGCSA-N 1 2 355.385 3.001 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(-c4[nH]cc[nH+]4)c3)cc2N1 ZINC000500873352 502882853 /nfs/dbraw/zinc/88/28/53/502882853.db2.gz YFWFCVWTQIUOBD-UHFFFAOYSA-N 1 2 363.377 3.482 20 5 FGBDLO Cc1cc(N[C@H]2CCCc3nn(C)cc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509450616 502906876 /nfs/dbraw/zinc/90/68/76/502906876.db2.gz FTJOIPCNEVLBLZ-INIZCTEOSA-N 1 2 364.409 3.005 20 5 FGBDLO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000509503830 502920889 /nfs/dbraw/zinc/92/08/89/502920889.db2.gz PNNRBABEUHLEIZ-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000509503830 502920892 /nfs/dbraw/zinc/92/08/92/502920892.db2.gz PNNRBABEUHLEIZ-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000505792695 502987166 /nfs/dbraw/zinc/98/71/66/502987166.db2.gz KOYXVNHIERPOKC-UHFFFAOYSA-N 1 2 374.466 3.488 20 5 FGBDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513708415 503005999 /nfs/dbraw/zinc/00/59/99/503005999.db2.gz RPRWRQNOMJCHCK-DYVFJYSZSA-N 1 2 374.441 3.128 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000501441077 503010337 /nfs/dbraw/zinc/01/03/37/503010337.db2.gz XOVJPWBLBJUTHB-UHFFFAOYSA-N 1 2 366.377 3.456 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506031090 503032821 /nfs/dbraw/zinc/03/28/21/503032821.db2.gz NTVMKWHVSYGSEK-UHFFFAOYSA-N 1 2 366.439 3.322 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506031090 503032823 /nfs/dbraw/zinc/03/28/23/503032823.db2.gz NTVMKWHVSYGSEK-UHFFFAOYSA-N 1 2 366.439 3.322 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490572983 503197859 /nfs/dbraw/zinc/19/78/59/503197859.db2.gz YBTROQLOFFUCBJ-UHFFFAOYSA-N 1 2 355.341 3.207 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490572983 503197861 /nfs/dbraw/zinc/19/78/61/503197861.db2.gz YBTROQLOFFUCBJ-UHFFFAOYSA-N 1 2 355.341 3.207 20 5 FGBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000611931889 506366729 /nfs/dbraw/zinc/36/67/29/506366729.db2.gz NNFSIWRLAFCUQK-UHFFFAOYSA-N 1 2 366.425 3.431 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492542866 503373462 /nfs/dbraw/zinc/37/34/62/503373462.db2.gz UQBHGVGGZKFRHX-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492776091 503384218 /nfs/dbraw/zinc/38/42/18/503384218.db2.gz UEPTVZFVRCBKKW-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO CCOc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492776091 503384220 /nfs/dbraw/zinc/38/42/20/503384220.db2.gz UEPTVZFVRCBKKW-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000493008798 503400239 /nfs/dbraw/zinc/40/02/39/503400239.db2.gz LKACYHITIAOIBV-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000493008798 503400244 /nfs/dbraw/zinc/40/02/44/503400244.db2.gz LKACYHITIAOIBV-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493175067 503410372 /nfs/dbraw/zinc/41/03/72/503410372.db2.gz KOJWIQORQPTKEE-SFHVURJKSA-N 1 2 368.368 3.248 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000493265354 503416073 /nfs/dbraw/zinc/41/60/73/503416073.db2.gz YQBSLDBBSVWPMM-KBPBESRZSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000493265354 503416076 /nfs/dbraw/zinc/41/60/76/503416076.db2.gz YQBSLDBBSVWPMM-KBPBESRZSA-N 1 2 353.850 3.470 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1F ZINC000499941043 503517013 /nfs/dbraw/zinc/51/70/13/503517013.db2.gz XOYUIXUEOLRNMG-ZDUSSCGKSA-N 1 2 372.755 3.358 20 5 FGBDLO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000512403850 503538799 /nfs/dbraw/zinc/53/87/99/503538799.db2.gz OVDSEBDYJNQPES-UHFFFAOYSA-N 1 2 357.385 3.129 20 5 FGBDLO Cc1noc(C2(C)CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000509006475 503617605 /nfs/dbraw/zinc/61/76/05/503617605.db2.gz KJZLCCDCSXGJPZ-UHFFFAOYSA-N 1 2 352.341 3.118 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC(F)(F)F ZINC000533034318 503707173 /nfs/dbraw/zinc/70/71/73/503707173.db2.gz HWMCXZIGHPNARC-QMMMGPOBSA-N 1 2 353.728 3.459 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC(F)(F)F ZINC000533034318 503707176 /nfs/dbraw/zinc/70/71/76/503707176.db2.gz HWMCXZIGHPNARC-QMMMGPOBSA-N 1 2 353.728 3.459 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C)cn1 ZINC000540476312 503783373 /nfs/dbraw/zinc/78/33/73/503783373.db2.gz DMMDRJYBWUYURB-INIZCTEOSA-N 1 2 370.413 3.255 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000517660673 503799723 /nfs/dbraw/zinc/79/97/23/503799723.db2.gz FAGKCBBPADFSTJ-CQSZACIVSA-N 1 2 354.410 3.010 20 5 FGBDLO Cc1ccn2cc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000543538057 503804003 /nfs/dbraw/zinc/80/40/03/503804003.db2.gz UPEKFGURUVIAIJ-GFCCVEGCSA-N 1 2 356.357 3.110 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000540545516 503812116 /nfs/dbraw/zinc/81/21/16/503812116.db2.gz ZXVODJNGRLOVGL-UHFFFAOYSA-N 1 2 373.409 3.286 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000543899594 503934226 /nfs/dbraw/zinc/93/42/26/503934226.db2.gz CXPOELSWLOKXQC-UHFFFAOYSA-N 1 2 352.350 3.179 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282334 504073336 /nfs/dbraw/zinc/07/33/36/504073336.db2.gz MAWHNAZLINMMJN-OLZOCXBDSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282334 504073340 /nfs/dbraw/zinc/07/33/40/504073340.db2.gz MAWHNAZLINMMJN-OLZOCXBDSA-N 1 2 366.364 3.306 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000544529948 504163593 /nfs/dbraw/zinc/16/35/93/504163593.db2.gz QOKNGXLEEQLJMX-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000544529948 504163599 /nfs/dbraw/zinc/16/35/99/504163599.db2.gz QOKNGXLEEQLJMX-SFHVURJKSA-N 1 2 356.422 3.437 20 5 FGBDLO CCc1cc(NCC(C)(C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000538938418 504422925 /nfs/dbraw/zinc/42/29/25/504422925.db2.gz ASQSUVYAWPDRCY-UHFFFAOYSA-N 1 2 358.442 3.247 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000539072566 504464383 /nfs/dbraw/zinc/46/43/83/504464383.db2.gz CZYYAFFHESMVQS-ZDUSSCGKSA-N 1 2 367.409 3.343 20 5 FGBDLO Cc1cc(C)c(CCNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000532159103 504554353 /nfs/dbraw/zinc/55/43/53/504554353.db2.gz QTXAXFWSGWHPSP-UHFFFAOYSA-N 1 2 369.465 3.311 20 5 FGBDLO Cc1cc(C)c(CCNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000532159103 504554356 /nfs/dbraw/zinc/55/43/56/504554356.db2.gz QTXAXFWSGWHPSP-UHFFFAOYSA-N 1 2 369.465 3.311 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000536019059 504610156 /nfs/dbraw/zinc/61/01/56/504610156.db2.gz RPJYNUMLCJCSQJ-UHFFFAOYSA-N 1 2 373.478 3.278 20 5 FGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000539851580 504717747 /nfs/dbraw/zinc/71/77/47/504717747.db2.gz UUXAXIMZPGHOLV-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000539851580 504717750 /nfs/dbraw/zinc/71/77/50/504717750.db2.gz UUXAXIMZPGHOLV-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559119972 504786540 /nfs/dbraw/zinc/78/65/40/504786540.db2.gz NFGNTHZGXOKNKD-UHFFFAOYSA-N 1 2 358.394 3.256 20 5 FGBDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559119972 504786544 /nfs/dbraw/zinc/78/65/44/504786544.db2.gz NFGNTHZGXOKNKD-UHFFFAOYSA-N 1 2 358.394 3.256 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000552905864 504786689 /nfs/dbraw/zinc/78/66/89/504786689.db2.gz AFLDDCANPBXEIC-UHFFFAOYSA-N 1 2 366.406 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000559186090 504798276 /nfs/dbraw/zinc/79/82/76/504798276.db2.gz LJYYGYFBXYPIBF-DOTOQJQBSA-N 1 2 350.321 3.198 20 5 FGBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553602484 504960109 /nfs/dbraw/zinc/96/01/09/504960109.db2.gz XSFCILAIXOQBOB-ZYHUDNBSSA-N 1 2 360.241 3.201 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000553951935 505051761 /nfs/dbraw/zinc/05/17/61/505051761.db2.gz KFUVWZUBHZLCJC-LBPRGKRZSA-N 1 2 374.466 3.497 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000553951935 505051763 /nfs/dbraw/zinc/05/17/63/505051763.db2.gz KFUVWZUBHZLCJC-LBPRGKRZSA-N 1 2 374.466 3.497 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000554199151 505113915 /nfs/dbraw/zinc/11/39/15/505113915.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000554199151 505113918 /nfs/dbraw/zinc/11/39/18/505113918.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000554199151 505113922 /nfs/dbraw/zinc/11/39/22/505113922.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000554199151 505113923 /nfs/dbraw/zinc/11/39/23/505113923.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000554199151 505113929 /nfs/dbraw/zinc/11/39/29/505113929.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000554199151 505113932 /nfs/dbraw/zinc/11/39/32/505113932.db2.gz CCOUPNXTOQLHJS-AWEZNQCLSA-N 1 2 359.430 3.188 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563410627 505136076 /nfs/dbraw/zinc/13/60/76/505136076.db2.gz ZDIVORORHJYNEF-JTQLQIEISA-N 1 2 371.319 3.045 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563410628 505136140 /nfs/dbraw/zinc/13/61/40/505136140.db2.gz ZDIVORORHJYNEF-SNVBAGLBSA-N 1 2 371.319 3.045 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)cn1 ZINC000561209431 505281662 /nfs/dbraw/zinc/28/16/62/505281662.db2.gz DBHLMBSTIYXCDN-MRXNPFEDSA-N 1 2 370.413 3.255 20 5 FGBDLO COc1ccc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000563971728 505292025 /nfs/dbraw/zinc/29/20/25/505292025.db2.gz IZTTXNQLAGJFEL-JTQLQIEISA-N 1 2 372.303 3.012 20 5 FGBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccncc1 ZINC000596590198 506476327 /nfs/dbraw/zinc/47/63/27/506476327.db2.gz CSHKHRDYVBSRRA-QZTJIDSGSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccncc1 ZINC000596590198 506476332 /nfs/dbraw/zinc/47/63/32/506476332.db2.gz CSHKHRDYVBSRRA-QZTJIDSGSA-N 1 2 366.421 3.178 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513232 506480670 /nfs/dbraw/zinc/48/06/70/506480670.db2.gz RCICRQXQKJUUOL-GRYCIOLGSA-N 1 2 371.384 3.154 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599513232 506480677 /nfs/dbraw/zinc/48/06/77/506480677.db2.gz RCICRQXQKJUUOL-GRYCIOLGSA-N 1 2 371.384 3.154 20 5 FGBDLO CCC(CC)[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000599657360 506558230 /nfs/dbraw/zinc/55/82/30/506558230.db2.gz HFKSCOWDOXTVKD-IBGZPJMESA-N 1 2 363.458 3.346 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000589512166 506573946 /nfs/dbraw/zinc/57/39/46/506573946.db2.gz UXAKSOUAUYURFW-QGZVFWFLSA-N 1 2 374.393 3.458 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])o1 ZINC000589512166 506573950 /nfs/dbraw/zinc/57/39/50/506573950.db2.gz UXAKSOUAUYURFW-QGZVFWFLSA-N 1 2 374.393 3.458 20 5 FGBDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599679228 506574595 /nfs/dbraw/zinc/57/45/95/506574595.db2.gz LKACOPKOHHQIJG-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599679228 506574597 /nfs/dbraw/zinc/57/45/97/506574597.db2.gz LKACOPKOHHQIJG-CQSZACIVSA-N 1 2 373.384 3.171 20 5 FGBDLO CCc1cc(NCCC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593513129 506663927 /nfs/dbraw/zinc/66/39/27/506663927.db2.gz XLULCCNIEOTENH-UHFFFAOYSA-N 1 2 356.426 3.001 20 5 FGBDLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000590032941 506711439 /nfs/dbraw/zinc/71/14/39/506711439.db2.gz GBBGXQVLRJXSIA-UHFFFAOYSA-N 1 2 353.422 3.004 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590052955 506716961 /nfs/dbraw/zinc/71/69/61/506716961.db2.gz FEWUDEOHQJGBQC-PKOBYXMFSA-N 1 2 370.405 3.156 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590052955 506716968 /nfs/dbraw/zinc/71/69/68/506716968.db2.gz FEWUDEOHQJGBQC-PKOBYXMFSA-N 1 2 370.405 3.156 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000609193625 506808762 /nfs/dbraw/zinc/80/87/62/506808762.db2.gz WLJAQVDWINTPBR-UHFFFAOYSA-N 1 2 359.426 3.293 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000590566605 506862933 /nfs/dbraw/zinc/86/29/33/506862933.db2.gz LWNUPRMRGALRMY-UHFFFAOYSA-N 1 2 371.784 3.067 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCc4n[nH]cc4C3)cs2)c1 ZINC000597257371 506865117 /nfs/dbraw/zinc/86/51/17/506865117.db2.gz FGFDDFRLNCJSJK-UHFFFAOYSA-N 1 2 355.423 3.390 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCc4n[nH]cc4C3)cs2)c1 ZINC000597257371 506865123 /nfs/dbraw/zinc/86/51/23/506865123.db2.gz FGFDDFRLNCJSJK-UHFFFAOYSA-N 1 2 355.423 3.390 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])cc1OC ZINC000590660577 506898752 /nfs/dbraw/zinc/89/87/52/506898752.db2.gz PXTDHMPMCLEYPF-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(C[N@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])cc1OC ZINC000590660577 506898756 /nfs/dbraw/zinc/89/87/56/506898756.db2.gz PXTDHMPMCLEYPF-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000583708561 506928394 /nfs/dbraw/zinc/92/83/94/506928394.db2.gz GFBOAFYQTDFUNN-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583815820 506989801 /nfs/dbraw/zinc/98/98/01/506989801.db2.gz BESLKAZWRLSLRI-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583815820 506989807 /nfs/dbraw/zinc/98/98/07/506989807.db2.gz BESLKAZWRLSLRI-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000597667090 507053134 /nfs/dbraw/zinc/05/31/34/507053134.db2.gz LFPXYYYNRPLUKQ-UHFFFAOYSA-N 1 2 369.421 3.296 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000609995179 507064550 /nfs/dbraw/zinc/06/45/50/507064550.db2.gz LCMIWLHNCNTXHS-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610062301 507087070 /nfs/dbraw/zinc/08/70/70/507087070.db2.gz GUQLMBFXYOGMID-UHFFFAOYSA-N 1 2 353.422 3.004 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)o1 ZINC000594510219 507160833 /nfs/dbraw/zinc/16/08/33/507160833.db2.gz KIRFSXDYXLGGIQ-INIZCTEOSA-N 1 2 369.381 3.114 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000610304475 507186196 /nfs/dbraw/zinc/18/61/96/507186196.db2.gz JDSTZEKBDKMTGP-KRWDZBQOSA-N 1 2 368.368 3.181 20 5 FGBDLO Cc1c[nH+]c(CCNc2ncc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000594597463 507202967 /nfs/dbraw/zinc/20/29/67/507202967.db2.gz VBUIQPXVHVKVBE-UHFFFAOYSA-N 1 2 351.204 3.419 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1NCc1[nH+]ccn1CC(F)(F)F)CCCC2 ZINC000584228896 507225028 /nfs/dbraw/zinc/22/50/28/507225028.db2.gz WAIPDTNJFJUGFY-UHFFFAOYSA-N 1 2 355.320 3.240 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000591845440 507390700 /nfs/dbraw/zinc/39/07/00/507390700.db2.gz RAUCCJWHHPGMGM-UHFFFAOYSA-N 1 2 355.232 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000591845440 507390707 /nfs/dbraw/zinc/39/07/07/507390707.db2.gz RAUCCJWHHPGMGM-UHFFFAOYSA-N 1 2 355.232 3.360 20 5 FGBDLO Cc1noc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[N+](=O)[O-] ZINC000595295735 507451841 /nfs/dbraw/zinc/45/18/41/507451841.db2.gz QVGVXRHVXXBZLI-DOMZBBRYSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1[N+](=O)[O-] ZINC000595295735 507451845 /nfs/dbraw/zinc/45/18/45/507451845.db2.gz QVGVXRHVXXBZLI-DOMZBBRYSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000595298796 507452476 /nfs/dbraw/zinc/45/24/76/507452476.db2.gz SKRWSELULKPHGI-UHFFFAOYSA-N 1 2 353.325 3.213 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)sc1C ZINC000595389560 507479720 /nfs/dbraw/zinc/47/97/20/507479720.db2.gz PRTYIMGTGKGMFK-UHFFFAOYSA-N 1 2 350.419 3.129 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000598582244 507505220 /nfs/dbraw/zinc/50/52/20/507505220.db2.gz UZPWTNKDMDXGLR-UHFFFAOYSA-N 1 2 370.331 3.489 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140003 507531841 /nfs/dbraw/zinc/53/18/41/507531841.db2.gz FZJQBUWVGRIZKX-GFCCVEGCSA-N 1 2 369.381 3.241 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140003 507531846 /nfs/dbraw/zinc/53/18/46/507531846.db2.gz FZJQBUWVGRIZKX-GFCCVEGCSA-N 1 2 369.381 3.241 20 5 FGBDLO Cc1noc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595513742 507540314 /nfs/dbraw/zinc/54/03/14/507540314.db2.gz BUSDQTOTFSSDAI-GFCCVEGCSA-N 1 2 359.304 3.123 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000611260846 507587051 /nfs/dbraw/zinc/58/70/51/507587051.db2.gz GNRAIIALSDCCBW-UHFFFAOYSA-N 1 2 371.462 3.492 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000595677226 507622046 /nfs/dbraw/zinc/62/20/46/507622046.db2.gz TVTAYSSINRZIJS-QGZVFWFLSA-N 1 2 355.394 3.404 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000595677226 507622052 /nfs/dbraw/zinc/62/20/52/507622052.db2.gz TVTAYSSINRZIJS-QGZVFWFLSA-N 1 2 355.394 3.404 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000585783281 507627312 /nfs/dbraw/zinc/62/73/12/507627312.db2.gz ZPJUQXAMTDHBEJ-INIZCTEOSA-N 1 2 352.398 3.415 20 5 FGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611412066 507670369 /nfs/dbraw/zinc/67/03/69/507670369.db2.gz QFJXVWKGEXFDAM-HNNXBMFYSA-N 1 2 367.858 3.165 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411046 507670582 /nfs/dbraw/zinc/67/05/82/507670582.db2.gz OGMNVKPPRUKAIE-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611479770 507700687 /nfs/dbraw/zinc/70/06/87/507700687.db2.gz ZETMZRFUATVDJF-UHFFFAOYSA-N 1 2 368.311 3.415 20 5 FGBDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611479770 507700694 /nfs/dbraw/zinc/70/06/94/507700694.db2.gz ZETMZRFUATVDJF-UHFFFAOYSA-N 1 2 368.311 3.415 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1Br ZINC000602486318 507724600 /nfs/dbraw/zinc/72/46/00/507724600.db2.gz SYIYAMZZDIEYEF-JOYOIKCWSA-N 1 2 361.261 3.420 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1Br ZINC000602486318 507724605 /nfs/dbraw/zinc/72/46/05/507724605.db2.gz SYIYAMZZDIEYEF-JOYOIKCWSA-N 1 2 361.261 3.420 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554728 507735780 /nfs/dbraw/zinc/73/57/80/507735780.db2.gz XCMWHMSRFCTGPW-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611554728 507735786 /nfs/dbraw/zinc/73/57/86/507735786.db2.gz XCMWHMSRFCTGPW-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000007315015 695566707 /nfs/dbraw/zinc/56/67/07/695566707.db2.gz PTNZOXTWPLWMSM-LLVKDONJSA-N 1 2 365.411 3.105 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000007315015 695566709 /nfs/dbraw/zinc/56/67/09/695566709.db2.gz PTNZOXTWPLWMSM-LLVKDONJSA-N 1 2 365.411 3.105 20 5 FGBDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374094425 713899076 /nfs/dbraw/zinc/89/90/76/713899076.db2.gz WZMKSEXLCSDDJM-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000522354707 714184413 /nfs/dbraw/zinc/18/44/13/714184413.db2.gz FJBDJDKWAMOSLA-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491743 722516846 /nfs/dbraw/zinc/51/68/46/722516846.db2.gz KCHFLIDJKRPSSL-UHFFFAOYSA-N 1 2 355.822 3.301 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000742401640 722556932 /nfs/dbraw/zinc/55/69/32/722556932.db2.gz WUJMSLXXLZCXOJ-GFCCVEGCSA-N 1 2 351.204 3.395 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000749811809 722742782 /nfs/dbraw/zinc/74/27/82/722742782.db2.gz SDWUDZWTYNAMAZ-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000749811809 722742784 /nfs/dbraw/zinc/74/27/84/722742784.db2.gz SDWUDZWTYNAMAZ-AWEZNQCLSA-N 1 2 353.394 3.175 20 5 FGBDLO Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000790634532 723161622 /nfs/dbraw/zinc/16/16/22/723161622.db2.gz OFPUGQKQZHCRIV-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584206 723260710 /nfs/dbraw/zinc/26/07/10/723260710.db2.gz UDJAVYNMVPLJKI-PSASIEDQSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584206 723260712 /nfs/dbraw/zinc/26/07/12/723260712.db2.gz UDJAVYNMVPLJKI-PSASIEDQSA-N 1 2 365.739 3.459 20 5 FGBDLO O=C(OCc1cccc(Cl)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676665 724929531 /nfs/dbraw/zinc/92/95/31/724929531.db2.gz XFCAAJKGCRFYKY-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805761156 725092154 /nfs/dbraw/zinc/09/21/54/725092154.db2.gz QEEYYPWCYYZHMX-HNNXBMFYSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805761156 725092156 /nfs/dbraw/zinc/09/21/56/725092156.db2.gz QEEYYPWCYYZHMX-HNNXBMFYSA-N 1 2 353.394 3.177 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805774735 725093734 /nfs/dbraw/zinc/09/37/34/725093734.db2.gz RVRKUKKSINZLKO-AWEZNQCLSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805774735 725093737 /nfs/dbraw/zinc/09/37/37/725093737.db2.gz RVRKUKKSINZLKO-AWEZNQCLSA-N 1 2 353.394 3.225 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811803689 725380778 /nfs/dbraw/zinc/38/07/78/725380778.db2.gz PJLQIAKEMMLTEI-CQSZACIVSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811803689 725380779 /nfs/dbraw/zinc/38/07/79/725380779.db2.gz PJLQIAKEMMLTEI-CQSZACIVSA-N 1 2 360.805 3.007 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000813383889 726868246 /nfs/dbraw/zinc/86/82/46/726868246.db2.gz XDWWAPGSRVNKND-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317377 727063608 /nfs/dbraw/zinc/06/36/08/727063608.db2.gz CSCJWIHDNVGVEC-WBMJQRKESA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000815317377 727063610 /nfs/dbraw/zinc/06/36/10/727063610.db2.gz CSCJWIHDNVGVEC-WBMJQRKESA-N 1 2 369.849 3.322 20 5 FGBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835074226 729856656 /nfs/dbraw/zinc/85/66/56/729856656.db2.gz IQXKIAAMYHIESN-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835074226 729856659 /nfs/dbraw/zinc/85/66/59/729856659.db2.gz IQXKIAAMYHIESN-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO O=C(OC[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835482949 729893602 /nfs/dbraw/zinc/89/36/02/729893602.db2.gz ZFBPBRPQSWJVHF-GFCCVEGCSA-N 1 2 351.309 3.373 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000845459369 730851771 /nfs/dbraw/zinc/85/17/71/730851771.db2.gz PEGPQGOPLCJWFK-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000877960178 736750432 /nfs/dbraw/zinc/75/04/32/736750432.db2.gz HIGLLCGNEUMJGY-GFCCVEGCSA-N 1 2 373.425 3.240 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000922470327 758930591 /nfs/dbraw/zinc/93/05/91/758930591.db2.gz NGYNZDAGZSCAOR-UHFFFAOYSA-N 1 2 355.366 3.431 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000927122242 759898654 /nfs/dbraw/zinc/89/86/54/759898654.db2.gz SJJFHTCZARBCSO-LLVKDONJSA-N 1 2 363.439 3.374 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533799923 503954603 /nfs/dbraw/zinc/95/46/03/503954603.db2.gz BFJLKDCWYLTKIT-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533799923 503954607 /nfs/dbraw/zinc/95/46/07/503954607.db2.gz BFJLKDCWYLTKIT-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000576802582 505597967 /nfs/dbraw/zinc/59/79/67/505597967.db2.gz CSGBXAIZLMIEJG-AWEZNQCLSA-N 1 2 356.304 3.241 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000571143689 505664141 /nfs/dbraw/zinc/66/41/41/505664141.db2.gz QAPIKKIZWAXVPC-HNNXBMFYSA-N 1 2 369.421 3.169 20 5 FGBDLO Cn1c(CCCNc2nc3sccn3c2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000080760424 493774422 /nfs/dbraw/zinc/77/44/22/493774422.db2.gz BASWHBFPOVEIJO-UHFFFAOYSA-N 1 2 356.411 3.235 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000075955064 493800534 /nfs/dbraw/zinc/80/05/34/493800534.db2.gz ZYODMOJMGCONRQ-UHFFFAOYSA-N 1 2 353.382 3.383 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000081099484 493833189 /nfs/dbraw/zinc/83/31/89/493833189.db2.gz YIOYLPMRYZZNPP-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069162897 493930346 /nfs/dbraw/zinc/93/03/46/493930346.db2.gz CHWKCDXFYZASEA-XIKOKIGWSA-N 1 2 357.385 3.404 20 5 FGBDLO Cc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032487779 493992903 /nfs/dbraw/zinc/99/29/03/493992903.db2.gz RNNJRDKQHRBPFR-UHFFFAOYSA-N 1 2 350.378 3.361 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032687883 494004566 /nfs/dbraw/zinc/00/45/66/494004566.db2.gz NCWZGQCUIRRRIN-UHFFFAOYSA-N 1 2 356.407 3.201 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245402 494014111 /nfs/dbraw/zinc/01/41/11/494014111.db2.gz CLLHJVHDFQYJBN-GFCCVEGCSA-N 1 2 362.817 3.480 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)c[nH+]2)CCO1 ZINC000052245290 494014236 /nfs/dbraw/zinc/01/42/36/494014236.db2.gz UJFMWMKPEWMWOG-GFCCVEGCSA-N 1 2 362.817 3.480 20 5 FGBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007683539 494035069 /nfs/dbraw/zinc/03/50/69/494035069.db2.gz BJKIHNLOPJLSHQ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007683539 494035074 /nfs/dbraw/zinc/03/50/74/494035074.db2.gz BJKIHNLOPJLSHQ-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000007878505 494048316 /nfs/dbraw/zinc/04/83/16/494048316.db2.gz YUMUZUVBTUMMMN-NSHDSACASA-N 1 2 361.423 3.223 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000007878505 494048320 /nfs/dbraw/zinc/04/83/20/494048320.db2.gz YUMUZUVBTUMMMN-NSHDSACASA-N 1 2 361.423 3.223 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009920027 494136448 /nfs/dbraw/zinc/13/64/48/494136448.db2.gz QNYWSUTYCGGOGU-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009920027 494136453 /nfs/dbraw/zinc/13/64/53/494136453.db2.gz QNYWSUTYCGGOGU-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000041816651 494179964 /nfs/dbraw/zinc/17/99/64/494179964.db2.gz KEAUFYWDDLZIHG-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO Cc1cc2[nH+]cn(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2cc1C ZINC000042082599 494198891 /nfs/dbraw/zinc/19/88/91/494198891.db2.gz HNPYMVNLEUBAMS-UHFFFAOYSA-N 1 2 350.378 3.151 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000072577714 494208486 /nfs/dbraw/zinc/20/84/86/494208486.db2.gz GJRKEAUCCMCOCP-INIZCTEOSA-N 1 2 353.422 3.422 20 5 FGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CCO)c1ccccc1 ZINC000072773183 494248774 /nfs/dbraw/zinc/24/87/74/494248774.db2.gz NFZPLIKWHPZCLE-KRWDZBQOSA-N 1 2 368.393 3.200 20 5 FGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CCO)c1ccccc1 ZINC000072773183 494248778 /nfs/dbraw/zinc/24/87/78/494248778.db2.gz NFZPLIKWHPZCLE-KRWDZBQOSA-N 1 2 368.393 3.200 20 5 FGBDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605643 494253151 /nfs/dbraw/zinc/25/31/51/494253151.db2.gz SYYHPASKXYHFEX-UHFFFAOYSA-N 1 2 367.405 3.184 20 5 FGBDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605643 494253152 /nfs/dbraw/zinc/25/31/52/494253152.db2.gz SYYHPASKXYHFEX-UHFFFAOYSA-N 1 2 367.405 3.184 20 5 FGBDLO Cc1cccn2cc(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000078596658 494326174 /nfs/dbraw/zinc/32/61/74/494326174.db2.gz YHCUTYFDPGSKKS-UHFFFAOYSA-N 1 2 367.409 3.059 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066564102 494356092 /nfs/dbraw/zinc/35/60/92/494356092.db2.gz LRGGIIZPYAMPQH-JTQLQIEISA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066564102 494356095 /nfs/dbraw/zinc/35/60/95/494356095.db2.gz LRGGIIZPYAMPQH-JTQLQIEISA-N 1 2 368.846 3.472 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000015521782 494357807 /nfs/dbraw/zinc/35/78/07/494357807.db2.gz QBJCGEAVKPLNCJ-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000015521782 494357812 /nfs/dbraw/zinc/35/78/12/494357812.db2.gz QBJCGEAVKPLNCJ-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO CCc1cc(NCCCc2nc(C)no2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000066816018 494415004 /nfs/dbraw/zinc/41/50/04/494415004.db2.gz RVQWVANNKSBMFN-UHFFFAOYSA-N 1 2 368.397 3.350 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000018017459 494421480 /nfs/dbraw/zinc/42/14/80/494421480.db2.gz WEQUOUHRQUVBHZ-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000067131139 494480179 /nfs/dbraw/zinc/48/01/79/494480179.db2.gz LPPWIFJQPWNESL-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080007148 494568773 /nfs/dbraw/zinc/56/87/73/494568773.db2.gz CDCUWXBDNMIKKS-CQSZACIVSA-N 1 2 369.425 3.019 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000056833713 494572396 /nfs/dbraw/zinc/57/23/96/494572396.db2.gz FNMFFWQVHYMNFK-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO COc1ccc([C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000074727588 494583581 /nfs/dbraw/zinc/58/35/81/494583581.db2.gz BMLOPCDUBAWSLR-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092510916 494652834 /nfs/dbraw/zinc/65/28/34/494652834.db2.gz FDSXNQXFKTXQNV-AWEZNQCLSA-N 1 2 371.384 3.029 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092510916 494652845 /nfs/dbraw/zinc/65/28/45/494652845.db2.gz FDSXNQXFKTXQNV-AWEZNQCLSA-N 1 2 371.384 3.029 20 5 FGBDLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000025054333 494694135 /nfs/dbraw/zinc/69/41/35/494694135.db2.gz CDFVSTCQKGJLNT-UHFFFAOYSA-N 1 2 367.405 3.128 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000075537580 494789872 /nfs/dbraw/zinc/78/98/72/494789872.db2.gz XTPYLBQKSXJMAW-QGZVFWFLSA-N 1 2 365.393 3.434 20 5 FGBDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000075589329 494800618 /nfs/dbraw/zinc/80/06/18/494800618.db2.gz DKPFIJJULPYPBC-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000121616569 494820618 /nfs/dbraw/zinc/82/06/18/494820618.db2.gz MGLUPXPCBXNRBW-FQEVSTJZSA-N 1 2 370.405 3.209 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000121616569 494820620 /nfs/dbraw/zinc/82/06/20/494820620.db2.gz MGLUPXPCBXNRBW-FQEVSTJZSA-N 1 2 370.405 3.209 20 5 FGBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000132369916 494863755 /nfs/dbraw/zinc/86/37/55/494863755.db2.gz JOWDQFAOAYUUAZ-UHFFFAOYSA-N 1 2 355.803 3.167 20 5 FGBDLO C[N@H+](CCOc1ccccc1F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027374004 494866023 /nfs/dbraw/zinc/86/60/23/494866023.db2.gz YOXPBRSSOONFQB-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO C[N@@H+](CCOc1ccccc1F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027374004 494866027 /nfs/dbraw/zinc/86/60/27/494866027.db2.gz YOXPBRSSOONFQB-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CS(C)(=O)=O ZINC000093390671 494884339 /nfs/dbraw/zinc/88/43/39/494884339.db2.gz NHIWSZCOKXQMHL-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CS(C)(=O)=O ZINC000093390671 494884343 /nfs/dbraw/zinc/88/43/43/494884343.db2.gz NHIWSZCOKXQMHL-ZDUSSCGKSA-N 1 2 366.439 3.110 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109961170 494935274 /nfs/dbraw/zinc/93/52/74/494935274.db2.gz ANWWTKUNVBYIQS-QGZVFWFLSA-N 1 2 367.449 3.351 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571513112 505751048 /nfs/dbraw/zinc/75/10/48/505751048.db2.gz GKMURUMNJQIXOE-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571513112 505751052 /nfs/dbraw/zinc/75/10/52/505751052.db2.gz GKMURUMNJQIXOE-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000128095215 495043554 /nfs/dbraw/zinc/04/35/54/495043554.db2.gz NULMGWNQHQZNCX-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO CCc1cc(NCCCO[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000128313074 495078297 /nfs/dbraw/zinc/07/82/97/495078297.db2.gz KXUGWCSFKUPEEN-QGZVFWFLSA-N 1 2 372.425 3.222 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119058250 495082209 /nfs/dbraw/zinc/08/22/09/495082209.db2.gz ZQYWUKVTVOMQAZ-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119058250 495082211 /nfs/dbraw/zinc/08/22/11/495082211.db2.gz ZQYWUKVTVOMQAZ-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000128931458 495169933 /nfs/dbraw/zinc/16/99/33/495169933.db2.gz CBQBUPYJEZYTCX-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000128931458 495169936 /nfs/dbraw/zinc/16/99/36/495169936.db2.gz CBQBUPYJEZYTCX-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000119554400 495190204 /nfs/dbraw/zinc/19/02/04/495190204.db2.gz KZIXWUQKWNYLRQ-UHFFFAOYSA-N 1 2 369.425 3.255 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000119554400 495190207 /nfs/dbraw/zinc/19/02/07/495190207.db2.gz KZIXWUQKWNYLRQ-UHFFFAOYSA-N 1 2 369.425 3.255 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000124131508 495238854 /nfs/dbraw/zinc/23/88/54/495238854.db2.gz YCNRDNVAXSCYIF-SCLBCKFNSA-N 1 2 369.425 3.089 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135220947 495264917 /nfs/dbraw/zinc/26/49/17/495264917.db2.gz DEISFZDGCNHXLS-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135220947 495264922 /nfs/dbraw/zinc/26/49/22/495264922.db2.gz DEISFZDGCNHXLS-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219980 495265004 /nfs/dbraw/zinc/26/50/04/495265004.db2.gz SCNIFTSGJHVMHW-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219980 495265006 /nfs/dbraw/zinc/26/50/06/495265006.db2.gz SCNIFTSGJHVMHW-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccnc1 ZINC000124306187 495266735 /nfs/dbraw/zinc/26/67/35/495266735.db2.gz XPBNKTNLBGLPDC-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccnc1 ZINC000124306187 495266740 /nfs/dbraw/zinc/26/67/40/495266740.db2.gz XPBNKTNLBGLPDC-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000568764768 505773247 /nfs/dbraw/zinc/77/32/47/505773247.db2.gz UWBAVFOXOQFDCS-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000568764768 505773248 /nfs/dbraw/zinc/77/32/48/505773248.db2.gz UWBAVFOXOQFDCS-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125278570 495418380 /nfs/dbraw/zinc/41/83/80/495418380.db2.gz ZWTFKTSCVZHLNK-UHFFFAOYSA-N 1 2 370.453 3.095 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)c1 ZINC000125454613 495447237 /nfs/dbraw/zinc/44/72/37/495447237.db2.gz BCVKUQJPWUNPJZ-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)c1 ZINC000125454613 495447238 /nfs/dbraw/zinc/44/72/38/495447238.db2.gz BCVKUQJPWUNPJZ-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130911767 495465863 /nfs/dbraw/zinc/46/58/63/495465863.db2.gz QGSSPZRELLKGKC-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130911767 495465865 /nfs/dbraw/zinc/46/58/65/495465865.db2.gz QGSSPZRELLKGKC-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131258104 495513142 /nfs/dbraw/zinc/51/31/42/495513142.db2.gz BNFQEUMBGUWQTR-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131258104 495513143 /nfs/dbraw/zinc/51/31/43/495513143.db2.gz BNFQEUMBGUWQTR-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000173463477 495541079 /nfs/dbraw/zinc/54/10/79/495541079.db2.gz JODVOMFZQUKRTK-ZDUSSCGKSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000173463477 495541084 /nfs/dbraw/zinc/54/10/84/495541084.db2.gz JODVOMFZQUKRTK-ZDUSSCGKSA-N 1 2 371.422 3.393 20 5 FGBDLO CS[C@@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000154290560 495570435 /nfs/dbraw/zinc/57/04/35/495570435.db2.gz YWALZPFLCYXILU-CQSZACIVSA-N 1 2 360.439 3.138 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1 ZINC000150182763 495607545 /nfs/dbraw/zinc/60/75/45/495607545.db2.gz JOZLMDKHQYCVAN-UHFFFAOYSA-N 1 2 366.377 3.470 20 5 FGBDLO COc1cccc2c1CC[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000182684187 495663529 /nfs/dbraw/zinc/66/35/29/495663529.db2.gz RIOPPUZCXGEZPN-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000182684187 495663532 /nfs/dbraw/zinc/66/35/32/495663532.db2.gz RIOPPUZCXGEZPN-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182752982 495688577 /nfs/dbraw/zinc/68/85/77/495688577.db2.gz JROZINOZWZSQGY-KBPBESRZSA-N 1 2 359.430 3.034 20 5 FGBDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799326 495697740 /nfs/dbraw/zinc/69/77/40/495697740.db2.gz QAZJVRBQOBJXFP-LJQANCHMSA-N 1 2 370.405 3.352 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000182878677 495739484 /nfs/dbraw/zinc/73/94/84/495739484.db2.gz SDVAELCEKULXIU-OAHLLOKOSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174219995 495869843 /nfs/dbraw/zinc/86/98/43/495869843.db2.gz PZGQDLOSYXSTBT-NEPJUHHUSA-N 1 2 361.373 3.420 20 5 FGBDLO Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248266 495881189 /nfs/dbraw/zinc/88/11/89/495881189.db2.gz WNXJZBBDGHGSNW-UHFFFAOYSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N)[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000151693394 495920334 /nfs/dbraw/zinc/92/03/34/495920334.db2.gz CPTRGQNBJGYOSW-STQMWFEESA-N 1 2 369.425 3.307 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619872 495951523 /nfs/dbraw/zinc/95/15/23/495951523.db2.gz LHAWSZCLLNMUGT-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619872 495951529 /nfs/dbraw/zinc/95/15/29/495951529.db2.gz LHAWSZCLLNMUGT-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180446908 496000124 /nfs/dbraw/zinc/00/01/24/496000124.db2.gz LWUPPOYWJNWVJP-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000177628296 496137930 /nfs/dbraw/zinc/13/79/30/496137930.db2.gz SMDXPLSLYUCPQN-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000177628296 496137933 /nfs/dbraw/zinc/13/79/33/496137933.db2.gz SMDXPLSLYUCPQN-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184221226 496291478 /nfs/dbraw/zinc/29/14/78/496291478.db2.gz KRIUEKXGMATCID-QWRGUYRKSA-N 1 2 364.427 3.046 20 5 FGBDLO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153135799 496364219 /nfs/dbraw/zinc/36/42/19/496364219.db2.gz ATRIRBUITHWCPQ-GHMZBOCLSA-N 1 2 368.231 3.028 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153137867 496364932 /nfs/dbraw/zinc/36/49/32/496364932.db2.gz FXUGEZNXISFFDT-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153137867 496364936 /nfs/dbraw/zinc/36/49/36/496364936.db2.gz FXUGEZNXISFFDT-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000172891863 496479556 /nfs/dbraw/zinc/47/95/56/496479556.db2.gz ZEVPNLYBVBICQJ-UHFFFAOYSA-N 1 2 350.378 3.390 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc([N+](=O)[O-])c(C)c3)c2cc1C ZINC000153620976 496520375 /nfs/dbraw/zinc/52/03/75/496520375.db2.gz PNQIBFQWHMDWLV-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000153627824 496524328 /nfs/dbraw/zinc/52/43/28/496524328.db2.gz ILKMCJNANFVKBM-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184795676 496534605 /nfs/dbraw/zinc/53/46/05/496534605.db2.gz INLPUBIVOBWTER-WFASDCNBSA-N 1 2 361.398 3.055 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000157796833 496557220 /nfs/dbraw/zinc/55/72/20/496557220.db2.gz CMONCVQJBVDGDO-INIZCTEOSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000157796833 496557226 /nfs/dbraw/zinc/55/72/26/496557226.db2.gz CMONCVQJBVDGDO-INIZCTEOSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153858768 496604353 /nfs/dbraw/zinc/60/43/53/496604353.db2.gz PDXBPIHBRUUEJT-OAHLLOKOSA-N 1 2 371.393 3.010 20 5 FGBDLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000185035766 496631633 /nfs/dbraw/zinc/63/16/33/496631633.db2.gz QYMADKOEDRVBFS-KRWDZBQOSA-N 1 2 359.813 3.358 20 5 FGBDLO COc1cccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185109590 496664665 /nfs/dbraw/zinc/66/46/65/496664665.db2.gz WXBAZSWTLSYEQE-CQSZACIVSA-N 1 2 363.439 3.150 20 5 FGBDLO Cc1noc(C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000179162150 496697728 /nfs/dbraw/zinc/69/77/28/496697728.db2.gz KVSHQQWQMJNRDB-UHFFFAOYSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000247023883 496755021 /nfs/dbraw/zinc/75/50/21/496755021.db2.gz SSROVCBGFOBFJN-NVXWUHKLSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000247023883 496755025 /nfs/dbraw/zinc/75/50/25/496755025.db2.gz SSROVCBGFOBFJN-NVXWUHKLSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000273651210 496864093 /nfs/dbraw/zinc/86/40/93/496864093.db2.gz WJOQRJSZPPTWOJ-SFYZADRCSA-N 1 2 369.834 3.086 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278020862 496975117 /nfs/dbraw/zinc/97/51/17/496975117.db2.gz JTSXUPFRUQUXHU-FNHJVCLDSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278020862 496975121 /nfs/dbraw/zinc/97/51/21/496975121.db2.gz JTSXUPFRUQUXHU-FNHJVCLDSA-N 1 2 356.382 3.074 20 5 FGBDLO O=C(N[C@@H]1CCCc2occc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000192491163 497131441 /nfs/dbraw/zinc/13/14/41/497131441.db2.gz APFMPUYIPVCNMZ-CQSZACIVSA-N 1 2 352.350 3.181 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](CO)O1 ZINC000248932687 497136473 /nfs/dbraw/zinc/13/64/73/497136473.db2.gz BMZXDUROIPSGTK-FZMZJTMJSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](CO)O1 ZINC000248932687 497136478 /nfs/dbraw/zinc/13/64/78/497136478.db2.gz BMZXDUROIPSGTK-FZMZJTMJSA-N 1 2 366.801 3.090 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000252736333 497320348 /nfs/dbraw/zinc/32/03/48/497320348.db2.gz UMKOLWIEZUJVIR-NVXWUHKLSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000252736333 497320352 /nfs/dbraw/zinc/32/03/52/497320352.db2.gz UMKOLWIEZUJVIR-NVXWUHKLSA-N 1 2 361.348 3.048 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](C2CCC2)CC1 ZINC000275550255 497361026 /nfs/dbraw/zinc/36/10/26/497361026.db2.gz NKHNEMFHQGZEDM-UHFFFAOYSA-N 1 2 361.445 3.404 20 5 FGBDLO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271639613 497406799 /nfs/dbraw/zinc/40/67/99/497406799.db2.gz QXJKWYHTOYCNIS-XIKOKIGWSA-N 1 2 357.385 3.404 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279370400 497419722 /nfs/dbraw/zinc/41/97/22/497419722.db2.gz RULTYBNXJSYYOM-HSMVNMDESA-N 1 2 358.398 3.205 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279370400 497419729 /nfs/dbraw/zinc/41/97/29/497419729.db2.gz RULTYBNXJSYYOM-HSMVNMDESA-N 1 2 358.398 3.205 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000279527793 497463160 /nfs/dbraw/zinc/46/31/60/497463160.db2.gz OYIRYELWINKQHT-OLZOCXBDSA-N 1 2 352.398 3.495 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000194335393 497637926 /nfs/dbraw/zinc/63/79/26/497637926.db2.gz ICMMSKUPAIAUOQ-UHFFFAOYSA-N 1 2 363.458 3.369 20 5 FGBDLO Cc1nn(C)c(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000280119349 497655738 /nfs/dbraw/zinc/65/57/38/497655738.db2.gz CKUSFODCTJSIIL-UHFFFAOYSA-N 1 2 354.414 3.136 20 5 FGBDLO COCc1ccccc1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272580646 497668440 /nfs/dbraw/zinc/66/84/40/497668440.db2.gz YBONAKCHBVAEEJ-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO COc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000268175046 497693871 /nfs/dbraw/zinc/69/38/71/497693871.db2.gz JWAZKJDGHQRFQC-CYBMUJFWSA-N 1 2 360.389 3.021 20 5 FGBDLO CCc1nc(C)c(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000291990311 497829665 /nfs/dbraw/zinc/82/96/65/497829665.db2.gz WOMPBBKRWKWYCQ-QGZVFWFLSA-N 1 2 355.398 3.066 20 5 FGBDLO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000280761216 497887301 /nfs/dbraw/zinc/88/73/01/497887301.db2.gz MAHDZADPUIWVAB-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825655 497911134 /nfs/dbraw/zinc/91/11/34/497911134.db2.gz NLPDHLFBCGMEOE-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825655 497911142 /nfs/dbraw/zinc/91/11/42/497911142.db2.gz NLPDHLFBCGMEOE-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCCCC3)c2)nc2sccn21 ZINC000301114293 497957359 /nfs/dbraw/zinc/95/73/59/497957359.db2.gz SXYYDLCTBCBYBW-UHFFFAOYSA-N 1 2 358.427 3.301 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000578555504 505966330 /nfs/dbraw/zinc/96/63/30/505966330.db2.gz KWZZIXCCKGXZCS-LJQANCHMSA-N 1 2 354.406 3.484 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296407010 498030862 /nfs/dbraw/zinc/03/08/62/498030862.db2.gz WZTZWBNNKIKBPY-SICOMBFOSA-N 1 2 354.410 3.341 20 5 FGBDLO Cn1nccc1C1=CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000285485428 498101761 /nfs/dbraw/zinc/10/17/61/498101761.db2.gz DCMZZQDPVNMAFG-UHFFFAOYSA-N 1 2 365.393 3.273 20 5 FGBDLO Cn1nccc1C1=CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000285485428 498101754 /nfs/dbraw/zinc/10/17/54/498101754.db2.gz DCMZZQDPVNMAFG-UHFFFAOYSA-N 1 2 365.393 3.273 20 5 FGBDLO CC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000330463402 498137098 /nfs/dbraw/zinc/13/70/98/498137098.db2.gz UQBBGONEEVTLTQ-UHFFFAOYSA-N 1 2 370.247 3.418 20 5 FGBDLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296685102 498152439 /nfs/dbraw/zinc/15/24/39/498152439.db2.gz IVZUOFBTNWAPMC-SGTLLEGYSA-N 1 2 357.385 3.404 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000292869027 498176582 /nfs/dbraw/zinc/17/65/82/498176582.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000292869027 498176585 /nfs/dbraw/zinc/17/65/85/498176585.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869027 498176589 /nfs/dbraw/zinc/17/65/89/498176589.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869027 498176594 /nfs/dbraw/zinc/17/65/94/498176594.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000292869027 498176601 /nfs/dbraw/zinc/17/66/01/498176601.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 2 369.347 3.420 20 5 FGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000301617458 498190170 /nfs/dbraw/zinc/19/01/70/498190170.db2.gz CNTJNVIZCBPXTK-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281700272 498240654 /nfs/dbraw/zinc/24/06/54/498240654.db2.gz BQXXCKFYJRDOSB-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000301738541 498245289 /nfs/dbraw/zinc/24/52/89/498245289.db2.gz JBECGTJHMMJXDL-QPJJXVBHSA-N 1 2 358.829 3.479 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000289699026 498253265 /nfs/dbraw/zinc/25/32/65/498253265.db2.gz GYKPWNIGTJYSFF-CXAGYDPISA-N 1 2 357.414 3.469 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281788050 498269474 /nfs/dbraw/zinc/26/94/74/498269474.db2.gz OBWQZUPJCCOKQE-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360938513 498324355 /nfs/dbraw/zinc/32/43/55/498324355.db2.gz BDAVXSXPJCWFDR-QGZVFWFLSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000360938513 498324360 /nfs/dbraw/zinc/32/43/60/498324360.db2.gz BDAVXSXPJCWFDR-QGZVFWFLSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)c1nc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc(N(C)C)[nH+]1 ZINC000301931024 498334066 /nfs/dbraw/zinc/33/40/66/498334066.db2.gz ONTOOOGVHAELPF-UHFFFAOYSA-N 1 2 364.837 3.259 20 5 FGBDLO CC(C)c1nc(N(C)C)nc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000301931024 498334072 /nfs/dbraw/zinc/33/40/72/498334072.db2.gz ONTOOOGVHAELPF-UHFFFAOYSA-N 1 2 364.837 3.259 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000281962748 498336490 /nfs/dbraw/zinc/33/64/90/498336490.db2.gz XTPKUXCNONNJJK-HNNXBMFYSA-N 1 2 373.369 3.087 20 5 FGBDLO Cc1c([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000361088161 498343699 /nfs/dbraw/zinc/34/36/99/498343699.db2.gz UNOBZQAPGNWJHZ-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000361088161 498343705 /nfs/dbraw/zinc/34/37/05/498343705.db2.gz UNOBZQAPGNWJHZ-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000286389802 498383085 /nfs/dbraw/zinc/38/30/85/498383085.db2.gz GXTMLVCQLGFVAB-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000286389802 498383091 /nfs/dbraw/zinc/38/30/91/498383091.db2.gz GXTMLVCQLGFVAB-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO Cc1cc(N[C@H](c2nncn2C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286532048 498426699 /nfs/dbraw/zinc/42/66/99/498426699.db2.gz HYMTWAAQNKXUAI-INIZCTEOSA-N 1 2 367.413 3.298 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000290304357 498502619 /nfs/dbraw/zinc/50/26/19/498502619.db2.gz IFQBZNJYOFJGOD-UHFFFAOYSA-N 1 2 355.803 3.040 20 5 FGBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000293919869 498533401 /nfs/dbraw/zinc/53/34/01/498533401.db2.gz MNHSASIVLWBNHW-KRWDZBQOSA-N 1 2 362.357 3.188 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000282877970 498691507 /nfs/dbraw/zinc/69/15/07/498691507.db2.gz JFNFCMSFCGAAHM-UHFFFAOYSA-N 1 2 350.378 3.289 20 5 FGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000294634630 498756699 /nfs/dbraw/zinc/75/66/99/498756699.db2.gz UNIOKDQZTQFLPK-GFCCVEGCSA-N 1 2 354.476 3.149 20 5 FGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000294634630 498756703 /nfs/dbraw/zinc/75/67/03/498756703.db2.gz UNIOKDQZTQFLPK-GFCCVEGCSA-N 1 2 354.476 3.149 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000317893236 498794328 /nfs/dbraw/zinc/79/43/28/498794328.db2.gz QMMWSFQMYNZZML-GFCCVEGCSA-N 1 2 371.231 3.132 20 5 FGBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000317893236 498794334 /nfs/dbraw/zinc/79/43/34/498794334.db2.gz QMMWSFQMYNZZML-GFCCVEGCSA-N 1 2 371.231 3.132 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000287670841 498832176 /nfs/dbraw/zinc/83/21/76/498832176.db2.gz HPJFREVISAXLGH-GFCCVEGCSA-N 1 2 355.385 3.058 20 5 FGBDLO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363578364 498887531 /nfs/dbraw/zinc/88/75/31/498887531.db2.gz MZMXMRKKLBPGLM-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000366578418 498987664 /nfs/dbraw/zinc/98/76/64/498987664.db2.gz WGHFFWODYDYLFP-AWEZNQCLSA-N 1 2 357.414 3.416 20 5 FGBDLO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000364114756 499118014 /nfs/dbraw/zinc/11/80/14/499118014.db2.gz GMGCMONJSATZSU-HNNXBMFYSA-N 1 2 365.393 3.348 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2c2cccc(Br)c2)n1 ZINC000369908109 499149879 /nfs/dbraw/zinc/14/98/79/499149879.db2.gz JLMNDAVWGUOSAF-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]2c2cccc(Br)c2)n1 ZINC000369908109 499149881 /nfs/dbraw/zinc/14/98/81/499149881.db2.gz JLMNDAVWGUOSAF-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)CCC2 ZINC000372742429 499169037 /nfs/dbraw/zinc/16/90/37/499169037.db2.gz PQUHSTGVDHKXGK-SNVBAGLBSA-N 1 2 366.219 3.247 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367265994 499170580 /nfs/dbraw/zinc/17/05/80/499170580.db2.gz CGKCVDJNDJACHQ-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367265994 499170583 /nfs/dbraw/zinc/17/05/83/499170583.db2.gz CGKCVDJNDJACHQ-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000367304288 499177077 /nfs/dbraw/zinc/17/70/77/499177077.db2.gz BLLXOEVXCUSQLC-LLVKDONJSA-N 1 2 359.455 3.496 20 5 FGBDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000367304288 499177080 /nfs/dbraw/zinc/17/70/80/499177080.db2.gz BLLXOEVXCUSQLC-LLVKDONJSA-N 1 2 359.455 3.496 20 5 FGBDLO Cc1c([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C ZINC000367346505 499185405 /nfs/dbraw/zinc/18/54/05/499185405.db2.gz MEWDPJJBRDUECT-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C ZINC000367346505 499185407 /nfs/dbraw/zinc/18/54/07/499185407.db2.gz MEWDPJJBRDUECT-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000370717534 499247777 /nfs/dbraw/zinc/24/77/77/499247777.db2.gz VJTVIKDOXUMXGO-QGZVFWFLSA-N 1 2 356.426 3.498 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000368334682 499286222 /nfs/dbraw/zinc/28/62/22/499286222.db2.gz WXNNKJFTOWZYIG-UHFFFAOYSA-N 1 2 368.340 3.353 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369721052 499438807 /nfs/dbraw/zinc/43/88/07/499438807.db2.gz CKLPMGWEACPRTB-CQSZACIVSA-N 1 2 357.414 3.357 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000372966199 499445080 /nfs/dbraw/zinc/44/50/80/499445080.db2.gz PBOLQVLLPAYVFG-CQSZACIVSA-N 1 2 371.441 3.339 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283132 499503001 /nfs/dbraw/zinc/50/30/01/499503001.db2.gz CLKFTKQMMUCIFP-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283132 499503003 /nfs/dbraw/zinc/50/30/03/499503003.db2.gz CLKFTKQMMUCIFP-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375721616 499548621 /nfs/dbraw/zinc/54/86/21/499548621.db2.gz FWNXEKWQAYTZMN-UHFFFAOYSA-N 1 2 361.442 3.075 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000410852639 499682127 /nfs/dbraw/zinc/68/21/27/499682127.db2.gz MGODXJYNILJAOP-ZDUSSCGKSA-N 1 2 368.315 3.228 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)n1 ZINC000377955348 499750937 /nfs/dbraw/zinc/75/09/37/499750937.db2.gz HUHDFIRGLVZDLJ-MRXNPFEDSA-N 1 2 370.388 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)n1 ZINC000377955348 499750938 /nfs/dbraw/zinc/75/09/38/499750938.db2.gz HUHDFIRGLVZDLJ-MRXNPFEDSA-N 1 2 370.388 3.158 20 5 FGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000412665247 499873907 /nfs/dbraw/zinc/87/39/07/499873907.db2.gz XMEJWEGRSSUKCO-JTQLQIEISA-N 1 2 356.304 3.099 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000413029913 499905360 /nfs/dbraw/zinc/90/53/60/499905360.db2.gz BXCNQXPQIJVWGM-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CC(C)N(C)C(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413055740 499907897 /nfs/dbraw/zinc/90/78/97/499907897.db2.gz SAMLYKOVCNXFMT-UHFFFAOYSA-N 1 2 356.426 3.226 20 5 FGBDLO COCCn1cc2c(n1)[C@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000413249826 499932297 /nfs/dbraw/zinc/93/22/97/499932297.db2.gz TYXXFBLQMXZNFN-QGZVFWFLSA-N 1 2 367.409 3.475 20 5 FGBDLO CC(C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1cccnc1 ZINC000413593927 499998812 /nfs/dbraw/zinc/99/88/12/499998812.db2.gz WMXXQYLHHLTUAC-UHFFFAOYSA-N 1 2 370.453 3.212 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000429208733 500024483 /nfs/dbraw/zinc/02/44/83/500024483.db2.gz SCRPRFVRNBJTFD-UHFFFAOYSA-N 1 2 366.377 3.488 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430131632 500197702 /nfs/dbraw/zinc/19/77/02/500197702.db2.gz LAUKUBMYEKUIQX-CYBMUJFWSA-N 1 2 358.394 3.395 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430131632 500197704 /nfs/dbraw/zinc/19/77/04/500197704.db2.gz LAUKUBMYEKUIQX-CYBMUJFWSA-N 1 2 358.394 3.395 20 5 FGBDLO Cc1cc(OCC(=O)Nc2c[nH+]ccc2OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000430797844 500286725 /nfs/dbraw/zinc/28/67/25/500286725.db2.gz GDIIGLXSMLGNHT-UHFFFAOYSA-N 1 2 359.382 3.493 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428686769 500543730 /nfs/dbraw/zinc/54/37/30/500543730.db2.gz BVOUANZFZKFLCY-UHFFFAOYSA-N 1 2 372.874 3.039 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447355530 500595171 /nfs/dbraw/zinc/59/51/71/500595171.db2.gz RMSQVAHPJOKCBR-UHFFFAOYSA-N 1 2 361.373 3.181 20 5 FGBDLO CO[C@]1(C)C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000447808606 500666905 /nfs/dbraw/zinc/66/69/05/500666905.db2.gz VUBPATRUJYKZQE-IEBWSBKVSA-N 1 2 363.458 3.043 20 5 FGBDLO C[C@@H]1C[C@@H](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447812347 500667775 /nfs/dbraw/zinc/66/77/75/500667775.db2.gz RDNMEAPKDDIEJH-CVEARBPZSA-N 1 2 363.458 3.044 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cc(F)ccc1F ZINC000447818249 500669964 /nfs/dbraw/zinc/66/99/64/500669964.db2.gz VZCPTQAVYZWCAC-UHFFFAOYSA-N 1 2 363.364 3.317 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443554475 500737233 /nfs/dbraw/zinc/73/72/33/500737233.db2.gz ADNDJBYMIARHGH-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443554475 500737236 /nfs/dbraw/zinc/73/72/36/500737236.db2.gz ADNDJBYMIARHGH-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000438596600 500806787 /nfs/dbraw/zinc/80/67/87/500806787.db2.gz BEPGYQHFYCYOCZ-GFCCVEGCSA-N 1 2 370.331 3.487 20 5 FGBDLO CC(C)CN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448806609 500839685 /nfs/dbraw/zinc/83/96/85/500839685.db2.gz ULFVAXPSPAKQPZ-UHFFFAOYSA-N 1 2 370.331 3.441 20 5 FGBDLO CC[N@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000439029042 500848876 /nfs/dbraw/zinc/84/88/76/500848876.db2.gz PYJOXJCLUUPJQZ-UHFFFAOYSA-N 1 2 355.438 3.479 20 5 FGBDLO CC[N@@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000439029042 500848879 /nfs/dbraw/zinc/84/88/79/500848879.db2.gz PYJOXJCLUUPJQZ-UHFFFAOYSA-N 1 2 355.438 3.479 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431600 501000843 /nfs/dbraw/zinc/00/08/43/501000843.db2.gz YNOHGGYZQSZGKL-QUCCMNQESA-N 1 2 374.412 3.294 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431600 501000845 /nfs/dbraw/zinc/00/08/45/501000845.db2.gz YNOHGGYZQSZGKL-QUCCMNQESA-N 1 2 374.412 3.294 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000449444096 501004312 /nfs/dbraw/zinc/00/43/12/501004312.db2.gz YFSRWOGENZLRMF-KRWDZBQOSA-N 1 2 360.458 3.301 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000449444097 501004734 /nfs/dbraw/zinc/00/47/34/501004734.db2.gz YFSRWOGENZLRMF-QGZVFWFLSA-N 1 2 360.458 3.301 20 5 FGBDLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000602612956 506231157 /nfs/dbraw/zinc/23/11/57/506231157.db2.gz VSCVMMJRMIWUFG-AWEZNQCLSA-N 1 2 355.350 3.358 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCc4n[nH]cc4C3)o2)c([N+](=O)[O-])c1 ZINC000598940265 506235199 /nfs/dbraw/zinc/23/51/99/506235199.db2.gz OKQMGILNDSVRKW-UHFFFAOYSA-N 1 2 354.366 3.145 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCc4n[nH]cc4C3)o2)c([N+](=O)[O-])c1 ZINC000598940265 506235203 /nfs/dbraw/zinc/23/52/03/506235203.db2.gz OKQMGILNDSVRKW-UHFFFAOYSA-N 1 2 354.366 3.145 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000436417973 501123390 /nfs/dbraw/zinc/12/33/90/501123390.db2.gz UTEWDYXQDYQTHP-DAXSKMNVSA-N 1 2 367.384 3.177 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735453 501159548 /nfs/dbraw/zinc/15/95/48/501159548.db2.gz OQTWBAVUMBVVQU-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735453 501159552 /nfs/dbraw/zinc/15/95/52/501159552.db2.gz OQTWBAVUMBVVQU-HNNXBMFYSA-N 1 2 365.433 3.321 20 5 FGBDLO COC1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450598428 501163734 /nfs/dbraw/zinc/16/37/34/501163734.db2.gz OIGBQUMFHBEEMZ-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000451019201 501239530 /nfs/dbraw/zinc/23/95/30/501239530.db2.gz RARZVCZDDLONOD-HNNXBMFYSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000451019201 501239531 /nfs/dbraw/zinc/23/95/31/501239531.db2.gz RARZVCZDDLONOD-HNNXBMFYSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451019201 501239532 /nfs/dbraw/zinc/23/95/32/501239532.db2.gz RARZVCZDDLONOD-HNNXBMFYSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451019201 501239533 /nfs/dbraw/zinc/23/95/33/501239533.db2.gz RARZVCZDDLONOD-HNNXBMFYSA-N 1 2 360.805 3.158 20 5 FGBDLO Cn1cc(Br)c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000453310483 501312822 /nfs/dbraw/zinc/31/28/22/501312822.db2.gz REZJGRVYBKXMBJ-AWEZNQCLSA-N 1 2 365.231 3.258 20 5 FGBDLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548858 501320078 /nfs/dbraw/zinc/32/00/78/501320078.db2.gz ORJFVDPNMJJYDG-HIFRSBDPSA-N 1 2 360.414 3.455 20 5 FGBDLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548858 501320080 /nfs/dbraw/zinc/32/00/80/501320080.db2.gz ORJFVDPNMJJYDG-HIFRSBDPSA-N 1 2 360.414 3.455 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC1CC1)CC1CCC1 ZINC000451582223 501329933 /nfs/dbraw/zinc/32/99/33/501329933.db2.gz SMBMEORBSWJPHL-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451901906 501396754 /nfs/dbraw/zinc/39/67/54/501396754.db2.gz NPLBDRXEIUUKDA-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451901906 501396756 /nfs/dbraw/zinc/39/67/56/501396756.db2.gz NPLBDRXEIUUKDA-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456133888 501461413 /nfs/dbraw/zinc/46/14/13/501461413.db2.gz GFZZUWGIUITSHS-GDBMZVCRSA-N 1 2 354.410 3.144 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000452336135 501480440 /nfs/dbraw/zinc/48/04/40/501480440.db2.gz UEZGBFMEPXMUKY-UHFFFAOYSA-N 1 2 365.187 3.142 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c3n2CCCC3)cc1SC ZINC000452335412 501480764 /nfs/dbraw/zinc/48/07/64/501480764.db2.gz PXVDVYOMLOYVTG-UHFFFAOYSA-N 1 2 362.411 3.110 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c1[N+](=O)[O-] ZINC000452357036 501484700 /nfs/dbraw/zinc/48/47/00/501484700.db2.gz RDXFWCFLSOHHHK-UHFFFAOYSA-N 1 2 368.397 3.137 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459097235 501593648 /nfs/dbraw/zinc/59/36/48/501593648.db2.gz DTWXSDZHFHJBMI-CZUORRHYSA-N 1 2 357.414 3.417 20 5 FGBDLO CC1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000602685182 506263009 /nfs/dbraw/zinc/26/30/09/506263009.db2.gz YOWTXKUJAOFZOM-DEOSSOPVSA-N 1 2 364.389 3.347 20 5 FGBDLO CC1(C)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000602685182 506263013 /nfs/dbraw/zinc/26/30/13/506263013.db2.gz YOWTXKUJAOFZOM-DEOSSOPVSA-N 1 2 364.389 3.347 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459642138 501691792 /nfs/dbraw/zinc/69/17/92/501691792.db2.gz YXGBNCBSFNDXCF-LLVKDONJSA-N 1 2 360.439 3.138 20 5 FGBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000467742604 501857797 /nfs/dbraw/zinc/85/77/97/501857797.db2.gz NIIFTSCUKUMWIR-QMMMGPOBSA-N 1 2 374.344 3.359 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000474645846 501907894 /nfs/dbraw/zinc/90/78/94/501907894.db2.gz HAYMGYKAVPMSKB-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000474645846 501907899 /nfs/dbraw/zinc/90/78/99/501907899.db2.gz HAYMGYKAVPMSKB-UHFFFAOYSA-N 1 2 359.813 3.036 20 5 FGBDLO Cc1cc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)on1 ZINC000599021244 506281876 /nfs/dbraw/zinc/28/18/76/506281876.db2.gz WBQMHAJPWMJYAF-UHFFFAOYSA-N 1 2 351.790 3.340 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000485790425 501937719 /nfs/dbraw/zinc/93/77/19/501937719.db2.gz KDHCHZZJHYQROM-QGZVFWFLSA-N 1 2 367.449 3.351 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCCN(c2nccs2)CC1 ZINC000599027616 506284663 /nfs/dbraw/zinc/28/46/63/506284663.db2.gz NLPBIXLVPSXICQ-UHFFFAOYSA-N 1 2 355.423 3.316 20 5 FGBDLO O=C(CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000599026370 506284949 /nfs/dbraw/zinc/28/49/49/506284949.db2.gz WFNXULFGYUABTD-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO Cc1c(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000478852144 502104532 /nfs/dbraw/zinc/10/45/32/502104532.db2.gz IFJLTVWESHHVPC-UHFFFAOYSA-N 1 2 365.393 3.088 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000486789999 502261929 /nfs/dbraw/zinc/26/19/29/502261929.db2.gz VMKHYJKLWFFRDD-LLVKDONJSA-N 1 2 356.361 3.073 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000475864870 502312814 /nfs/dbraw/zinc/31/28/14/502312814.db2.gz MEOUUECYQJSNBA-UHFFFAOYSA-N 1 2 373.240 3.020 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000475864870 502312819 /nfs/dbraw/zinc/31/28/19/502312819.db2.gz MEOUUECYQJSNBA-UHFFFAOYSA-N 1 2 373.240 3.020 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472354170 502326534 /nfs/dbraw/zinc/32/65/34/502326534.db2.gz UWPBTYOVCAILEA-HOTGVXAUSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472354170 502326538 /nfs/dbraw/zinc/32/65/38/502326538.db2.gz UWPBTYOVCAILEA-HOTGVXAUSA-N 1 2 353.850 3.470 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCc3ccc(F)c(F)c3C2)c([N+](=O)[O-])c1 ZINC000487174893 502380980 /nfs/dbraw/zinc/38/09/80/502380980.db2.gz XZDJNWMTBMKLTG-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCc3ccc(F)c(F)c3C2)c([N+](=O)[O-])c1 ZINC000487174893 502380987 /nfs/dbraw/zinc/38/09/87/502380987.db2.gz XZDJNWMTBMKLTG-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO COc1cc(C[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])cc1OC(F)F ZINC000473176222 502537462 /nfs/dbraw/zinc/53/74/62/502537462.db2.gz JYVSZTNIOXVBQY-NSHDSACASA-N 1 2 374.365 3.090 20 5 FGBDLO O=C(Nc1cc2c(cn1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000462777268 502566729 /nfs/dbraw/zinc/56/67/29/502566729.db2.gz UDNVOVVKCJCKJY-UHFFFAOYSA-N 1 2 363.377 3.307 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCc2ccccc2)CC1 ZINC000480518476 502589812 /nfs/dbraw/zinc/58/98/12/502589812.db2.gz AONGUEZOAFVDIK-UHFFFAOYSA-N 1 2 373.478 3.437 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480560569 502603668 /nfs/dbraw/zinc/60/36/68/502603668.db2.gz XBBQFJIFIJSHLB-OCCSQVGLSA-N 1 2 373.375 3.204 20 5 FGBDLO Cn1c(CCNc2nc3ccccc3cc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000473520250 502621381 /nfs/dbraw/zinc/62/13/81/502621381.db2.gz IPDKXEABIVRLJD-UHFFFAOYSA-N 1 2 365.368 3.245 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000476981806 502641030 /nfs/dbraw/zinc/64/10/30/502641030.db2.gz MFTKIFVYYBIVOR-UHFFFAOYSA-N 1 2 355.785 3.392 20 5 FGBDLO CCOc1cc(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)ccc1[N+](=O)[O-] ZINC000480850814 502687898 /nfs/dbraw/zinc/68/78/98/502687898.db2.gz CSHUYFHWLOTCSY-UHFFFAOYSA-N 1 2 371.441 3.035 20 5 FGBDLO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(-c2cccnc2)[nH+]1 ZINC000477160502 502695618 /nfs/dbraw/zinc/69/56/18/502695618.db2.gz KTZWQYVAAWDFTL-UHFFFAOYSA-N 1 2 369.812 3.485 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000466925887 502728886 /nfs/dbraw/zinc/72/88/86/502728886.db2.gz PPSUYHLNTRIPAX-MRXNPFEDSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000466925887 502728891 /nfs/dbraw/zinc/72/88/91/502728891.db2.gz PPSUYHLNTRIPAX-MRXNPFEDSA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488741871 502799801 /nfs/dbraw/zinc/79/98/01/502799801.db2.gz CQAUSFRITJGQGS-WBVHZDCISA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488741871 502799807 /nfs/dbraw/zinc/79/98/07/502799807.db2.gz CQAUSFRITJGQGS-WBVHZDCISA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000474149111 502815413 /nfs/dbraw/zinc/81/54/13/502815413.db2.gz ZBRWWKGQSNMDCE-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CCc1nc(C)c(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000489064318 502871619 /nfs/dbraw/zinc/87/16/19/502871619.db2.gz BVBHVGLNDOLHTB-UHFFFAOYSA-N 1 2 353.382 3.253 20 5 FGBDLO Cc1csc(CC2(O)CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000602892634 506339386 /nfs/dbraw/zinc/33/93/86/506339386.db2.gz LUTBHYNGIWBYBW-UHFFFAOYSA-N 1 2 365.430 3.068 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000501748542 503072130 /nfs/dbraw/zinc/07/21/30/503072130.db2.gz MTYMDUCZXVLOPW-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000514129515 503094665 /nfs/dbraw/zinc/09/46/65/503094665.db2.gz YCKCAHNNWCHOEP-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000514129515 503094667 /nfs/dbraw/zinc/09/46/67/503094667.db2.gz YCKCAHNNWCHOEP-UHFFFAOYSA-N 1 2 374.422 3.355 20 5 FGBDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000514197374 503110584 /nfs/dbraw/zinc/11/05/84/503110584.db2.gz MTHDUDNPKJXNBO-UHFFFAOYSA-N 1 2 374.485 3.040 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510530885 503135403 /nfs/dbraw/zinc/13/54/03/503135403.db2.gz IZXMESCINIXTKD-UHFFFAOYSA-N 1 2 364.199 3.297 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089384 503228508 /nfs/dbraw/zinc/22/85/08/503228508.db2.gz SREDNMSWJLXGPN-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507089384 503228513 /nfs/dbraw/zinc/22/85/13/503228513.db2.gz SREDNMSWJLXGPN-HUUCEWRRSA-N 1 2 369.421 3.035 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000511072599 503248171 /nfs/dbraw/zinc/24/81/71/503248171.db2.gz GBUQOZQFOXFWLL-KRWDZBQOSA-N 1 2 353.378 3.082 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCC=C(c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000511072599 503248172 /nfs/dbraw/zinc/24/81/72/503248172.db2.gz GBUQOZQFOXFWLL-KRWDZBQOSA-N 1 2 353.378 3.082 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1[N+](=O)[O-] ZINC000511526855 503337319 /nfs/dbraw/zinc/33/73/19/503337319.db2.gz RKZDUKXYZJLPGM-UHFFFAOYSA-N 1 2 360.483 3.493 20 5 FGBDLO C[C@](CO)([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000602963705 506369167 /nfs/dbraw/zinc/36/91/67/506369167.db2.gz YPVZHRFJCSTJGF-CYBMUJFWSA-N 1 2 361.345 3.067 20 5 FGBDLO COc1cc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000493144057 503409681 /nfs/dbraw/zinc/40/96/81/503409681.db2.gz CHDNYWWDJPGYSD-KRWDZBQOSA-N 1 2 366.377 3.188 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000512211474 503487546 /nfs/dbraw/zinc/48/75/46/503487546.db2.gz HKEXVQLLFYJZNX-UHFFFAOYSA-N 1 2 355.394 3.045 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000512211474 503487551 /nfs/dbraw/zinc/48/75/51/503487551.db2.gz HKEXVQLLFYJZNX-UHFFFAOYSA-N 1 2 355.394 3.045 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC3 ZINC000508560471 503520053 /nfs/dbraw/zinc/52/00/53/503520053.db2.gz KGPFLXUCSFOOCH-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC3 ZINC000508560471 503520055 /nfs/dbraw/zinc/52/00/55/503520055.db2.gz KGPFLXUCSFOOCH-UHFFFAOYSA-N 1 2 365.389 3.421 20 5 FGBDLO CCn1cc(C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593079728 506381041 /nfs/dbraw/zinc/38/10/41/506381041.db2.gz KCWQTZHRTIXVDF-UHFFFAOYSA-N 1 2 360.414 3.008 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593079728 506381042 /nfs/dbraw/zinc/38/10/42/506381042.db2.gz KCWQTZHRTIXVDF-UHFFFAOYSA-N 1 2 360.414 3.008 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543645447 503839717 /nfs/dbraw/zinc/83/97/17/503839717.db2.gz ZJYPFGFLLADSCW-UHFFFAOYSA-N 1 2 363.736 3.357 20 5 FGBDLO CCn1cc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000533440126 503845626 /nfs/dbraw/zinc/84/56/26/503845626.db2.gz QGFPTZYNNLPOND-GFCCVEGCSA-N 1 2 356.386 3.054 20 5 FGBDLO CCn1cc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000533440126 503845630 /nfs/dbraw/zinc/84/56/30/503845630.db2.gz QGFPTZYNNLPOND-GFCCVEGCSA-N 1 2 356.386 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000546743673 503860946 /nfs/dbraw/zinc/86/09/46/503860946.db2.gz XXCHJKGDLIOHMS-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537616558 503976770 /nfs/dbraw/zinc/97/67/70/503976770.db2.gz FPXFUULPWVUPKA-ICFOKQHNSA-N 1 2 365.433 3.456 20 5 FGBDLO CNc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000544024536 503977097 /nfs/dbraw/zinc/97/70/97/503977097.db2.gz WEPXSXWZIHHPPH-UHFFFAOYSA-N 1 2 371.441 3.166 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534249554 504084123 /nfs/dbraw/zinc/08/41/23/504084123.db2.gz BGYJOJMIWRKPSI-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC ZINC000534333321 504113115 /nfs/dbraw/zinc/11/31/15/504113115.db2.gz NWMXHQOETFMFQR-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC ZINC000534333321 504113119 /nfs/dbraw/zinc/11/31/19/504113119.db2.gz NWMXHQOETFMFQR-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2n1C ZINC000531438159 504306954 /nfs/dbraw/zinc/30/69/54/504306954.db2.gz RSSHYAOQPVNSEM-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO Cn1c[nH+]cc1Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000545138532 504371098 /nfs/dbraw/zinc/37/10/98/504371098.db2.gz ZAHJFJOPCHKBKX-UHFFFAOYSA-N 1 2 368.378 3.093 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000545578258 504531499 /nfs/dbraw/zinc/53/14/99/504531499.db2.gz PSEIGDXRNYXKRV-UHFFFAOYSA-N 1 2 362.349 3.260 20 5 FGBDLO Cc1cc(Nc2ccc3c(c2)[nH+]cn3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535988227 504600250 /nfs/dbraw/zinc/60/02/50/504600250.db2.gz AUBQYRMLRDKWFR-UHFFFAOYSA-N 1 2 360.377 3.412 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000545823557 504605953 /nfs/dbraw/zinc/60/59/53/504605953.db2.gz DSHAXEUTVGTPAF-DDKJEQMHSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000545823557 504605959 /nfs/dbraw/zinc/60/59/59/504605959.db2.gz DSHAXEUTVGTPAF-DDKJEQMHSA-N 1 2 358.398 3.320 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000536034144 504613439 /nfs/dbraw/zinc/61/34/39/504613439.db2.gz CXPOSYCGWLDXDF-INIZCTEOSA-N 1 2 351.362 3.258 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000536034144 504613441 /nfs/dbraw/zinc/61/34/41/504613441.db2.gz CXPOSYCGWLDXDF-INIZCTEOSA-N 1 2 351.362 3.258 20 5 FGBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000532467055 504660591 /nfs/dbraw/zinc/66/05/91/504660591.db2.gz FZYJRIAYTICAKK-UHFFFAOYSA-N 1 2 368.393 3.145 20 5 FGBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000532467055 504660596 /nfs/dbraw/zinc/66/05/96/504660596.db2.gz FZYJRIAYTICAKK-UHFFFAOYSA-N 1 2 368.393 3.145 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532536726 504686052 /nfs/dbraw/zinc/68/60/52/504686052.db2.gz JQFZAUGAHANUDH-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532536726 504686056 /nfs/dbraw/zinc/68/60/56/504686056.db2.gz JQFZAUGAHANUDH-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO COc1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000543002507 504688394 /nfs/dbraw/zinc/68/83/94/504688394.db2.gz DDXBWFXZXIGBSO-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000521417303 504731932 /nfs/dbraw/zinc/73/19/32/504731932.db2.gz OYIIBFVYFBGBCF-UHFFFAOYSA-N 1 2 359.430 3.192 20 5 FGBDLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549343688 504796080 /nfs/dbraw/zinc/79/60/80/504796080.db2.gz LOOLJGTYCBFCIC-UHFFFAOYSA-N 1 2 368.393 3.193 20 5 FGBDLO CC(=O)c1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000553251803 504863735 /nfs/dbraw/zinc/86/37/35/504863735.db2.gz JZHYQXCOZJSYJJ-GOSISDBHSA-N 1 2 369.421 3.110 20 5 FGBDLO CC(=O)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000553251803 504863736 /nfs/dbraw/zinc/86/37/36/504863736.db2.gz JZHYQXCOZJSYJJ-GOSISDBHSA-N 1 2 369.421 3.110 20 5 FGBDLO CSc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000550113446 504969835 /nfs/dbraw/zinc/96/98/35/504969835.db2.gz ZETGXLTVWSOVFC-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO O=C1[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000554285211 505135233 /nfs/dbraw/zinc/13/52/33/505135233.db2.gz GTUDEBZQJHRUBI-QGZVFWFLSA-N 1 2 357.797 3.369 20 5 FGBDLO O=C1[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000554285211 505135235 /nfs/dbraw/zinc/13/52/35/505135235.db2.gz GTUDEBZQJHRUBI-QGZVFWFLSA-N 1 2 357.797 3.369 20 5 FGBDLO C[C@H]1CC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000555000263 505324484 /nfs/dbraw/zinc/32/44/84/505324484.db2.gz YYNWKSHNLMVFIF-KBPBESRZSA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(CSCC[NH+]2CCOCC2)c1 ZINC000555010456 505327949 /nfs/dbraw/zinc/32/79/49/505327949.db2.gz DJLABTMRSFFNQY-UHFFFAOYSA-N 1 2 350.362 3.179 20 5 FGBDLO CC1=CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000558459897 505396542 /nfs/dbraw/zinc/39/65/42/505396542.db2.gz RVAAYVTZAZJBSU-UHFFFAOYSA-N 1 2 358.179 3.351 20 5 FGBDLO CC1=CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000558459897 505396546 /nfs/dbraw/zinc/39/65/46/505396546.db2.gz RVAAYVTZAZJBSU-UHFFFAOYSA-N 1 2 358.179 3.351 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(-n3cccn3)c1)CCO2 ZINC000558483684 505404682 /nfs/dbraw/zinc/40/46/82/505404682.db2.gz AOVCGXHTRPUVCC-UHFFFAOYSA-N 1 2 350.378 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(-n3cccn3)c1)CCO2 ZINC000558483684 505404684 /nfs/dbraw/zinc/40/46/84/505404684.db2.gz AOVCGXHTRPUVCC-UHFFFAOYSA-N 1 2 350.378 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000555427735 505431046 /nfs/dbraw/zinc/43/10/46/505431046.db2.gz KHANATSETUMQBN-UHFFFAOYSA-N 1 2 354.275 3.206 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552225409 505433722 /nfs/dbraw/zinc/43/37/22/505433722.db2.gz GUUBFPWHFFWQRM-GOSISDBHSA-N 1 2 352.394 3.086 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000555593398 505466372 /nfs/dbraw/zinc/46/63/72/505466372.db2.gz KHIQFJOARJEHLN-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000555593398 505466375 /nfs/dbraw/zinc/46/63/75/505466375.db2.gz KHIQFJOARJEHLN-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000593091812 506387908 /nfs/dbraw/zinc/38/79/08/506387908.db2.gz LIAWBKHZNNTBFH-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000593091812 506387916 /nfs/dbraw/zinc/38/79/16/506387916.db2.gz LIAWBKHZNNTBFH-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO O=[N+]([O-])c1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1C(F)(F)F ZINC000589104268 506441840 /nfs/dbraw/zinc/44/18/40/506441840.db2.gz GPANTMQPCNJUJT-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000589509365 506574378 /nfs/dbraw/zinc/57/43/78/506574378.db2.gz CWDGQGMRDVBBNI-UHFFFAOYSA-N 1 2 368.311 3.431 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000589509365 506574383 /nfs/dbraw/zinc/57/43/83/506574383.db2.gz CWDGQGMRDVBBNI-UHFFFAOYSA-N 1 2 368.311 3.431 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603840457 506630339 /nfs/dbraw/zinc/63/03/39/506630339.db2.gz FLCUTTYPQKATFS-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC(C3CC3)C2)c1 ZINC000589736801 506639508 /nfs/dbraw/zinc/63/95/08/506639508.db2.gz OXTQZUFCZGJFBD-UHFFFAOYSA-N 1 2 358.179 3.041 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(-c3ccccc3)on1)OCCO2 ZINC000608861096 506727636 /nfs/dbraw/zinc/72/76/36/506727636.db2.gz QOCYAPWNCZARQE-UHFFFAOYSA-N 1 2 367.361 3.311 20 5 FGBDLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000590172859 506758269 /nfs/dbraw/zinc/75/82/69/506758269.db2.gz YWSZTDTZZNZEEX-KRWDZBQOSA-N 1 2 358.394 3.331 20 5 FGBDLO CC(C)(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1[N+](=O)[O-] ZINC000590378755 506806345 /nfs/dbraw/zinc/80/63/45/506806345.db2.gz FCNLKQJWKWWNMJ-UHFFFAOYSA-N 1 2 365.393 3.151 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCCC2)O1 ZINC000594058914 506912139 /nfs/dbraw/zinc/91/21/39/506912139.db2.gz URQFRXNJPDLULY-AWEZNQCLSA-N 1 2 362.426 3.385 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCCCC2)O1 ZINC000594058914 506912147 /nfs/dbraw/zinc/91/21/47/506912147.db2.gz URQFRXNJPDLULY-AWEZNQCLSA-N 1 2 362.426 3.385 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059723 506913963 /nfs/dbraw/zinc/91/39/63/506913963.db2.gz ZFIHIRVLGYMZFA-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059723 506913968 /nfs/dbraw/zinc/91/39/68/506913968.db2.gz ZFIHIRVLGYMZFA-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754542 506939285 /nfs/dbraw/zinc/93/92/85/506939285.db2.gz KUCBRAACZOLZQZ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754542 506939289 /nfs/dbraw/zinc/93/92/89/506939289.db2.gz KUCBRAACZOLZQZ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccc(CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708100 506980140 /nfs/dbraw/zinc/98/01/40/506980140.db2.gz FNNMBDWLCFIRNI-OAQYLSRUSA-N 1 2 369.465 3.020 20 5 FGBDLO Cc1ccc(CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708100 506980143 /nfs/dbraw/zinc/98/01/43/506980143.db2.gz FNNMBDWLCFIRNI-OAQYLSRUSA-N 1 2 369.465 3.020 20 5 FGBDLO CCc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000609862923 507028709 /nfs/dbraw/zinc/02/87/09/507028709.db2.gz NCJNTURTRCWAMM-UHFFFAOYSA-N 1 2 364.405 3.315 20 5 FGBDLO COc1cc(C[NH+]2CC3(CC(F)C3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000590969262 507066640 /nfs/dbraw/zinc/06/66/40/507066640.db2.gz BXLHTOOCOZDZTO-UHFFFAOYSA-N 1 2 360.332 3.181 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000610273227 507169986 /nfs/dbraw/zinc/16/99/86/507169986.db2.gz BERBBOWODINDHN-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942446 507190125 /nfs/dbraw/zinc/19/01/25/507190125.db2.gz YQHFNIQGWKKYFA-UHFFFAOYSA-N 1 2 368.437 3.445 20 5 FGBDLO O=C(Nc1c(F)cc(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610388585 507222347 /nfs/dbraw/zinc/22/23/47/507222347.db2.gz HENZUEHQMQETRA-UHFFFAOYSA-N 1 2 362.267 3.450 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601241059 507309078 /nfs/dbraw/zinc/30/90/78/507309078.db2.gz WDNWDZGTZYMEIG-UHFFFAOYSA-N 1 2 359.455 3.167 20 5 FGBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261244 507432642 /nfs/dbraw/zinc/43/26/42/507432642.db2.gz BPOTYDJIGXGKEQ-MRXNPFEDSA-N 1 2 354.414 3.159 20 5 FGBDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261244 507432645 /nfs/dbraw/zinc/43/26/45/507432645.db2.gz BPOTYDJIGXGKEQ-MRXNPFEDSA-N 1 2 354.414 3.159 20 5 FGBDLO CCCc1noc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592131355 507495422 /nfs/dbraw/zinc/49/54/22/507495422.db2.gz YYZQQSPPWKVNRL-WKILWMFISA-N 1 2 374.441 3.236 20 5 FGBDLO CCCc1noc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592131355 507495425 /nfs/dbraw/zinc/49/54/25/507495425.db2.gz YYZQQSPPWKVNRL-WKILWMFISA-N 1 2 374.441 3.236 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176672 507524229 /nfs/dbraw/zinc/52/42/29/507524229.db2.gz BNOXCXSIWYJXLI-LJQANCHMSA-N 1 2 354.406 3.460 20 5 FGBDLO Cc1noc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000595485612 507525871 /nfs/dbraw/zinc/52/58/71/507525871.db2.gz YGLIWTBIPSFDQC-GFCCVEGCSA-N 1 2 360.197 3.411 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222058 507567507 /nfs/dbraw/zinc/56/75/07/507567507.db2.gz IIHACORYDWVJPR-HOTGVXAUSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222058 507567515 /nfs/dbraw/zinc/56/75/15/507567515.db2.gz IIHACORYDWVJPR-HOTGVXAUSA-N 1 2 362.817 3.127 20 5 FGBDLO C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602076632 507581478 /nfs/dbraw/zinc/58/14/78/507581478.db2.gz ZMCGJPYLYNWSLW-GWCFXTLKSA-N 1 2 356.304 3.162 20 5 FGBDLO C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602131548 507603210 /nfs/dbraw/zinc/60/32/10/507603210.db2.gz DZRKKMHUSWCPOH-MFKMUULPSA-N 1 2 356.304 3.162 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000585783282 507627289 /nfs/dbraw/zinc/62/72/89/507627289.db2.gz ZPJUQXAMTDHBEJ-MRXNPFEDSA-N 1 2 352.398 3.415 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000595807424 507695642 /nfs/dbraw/zinc/69/56/42/507695642.db2.gz OYAPYMQEFTZBIJ-CQSZACIVSA-N 1 2 359.426 3.065 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595816918 507699257 /nfs/dbraw/zinc/69/92/57/507699257.db2.gz ZGGAPRTVDXGNDN-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595816918 507699260 /nfs/dbraw/zinc/69/92/60/507699260.db2.gz ZGGAPRTVDXGNDN-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000595821306 507700423 /nfs/dbraw/zinc/70/04/23/507700423.db2.gz CWGKMDMTWPATCN-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)o2)cc1 ZINC000595821306 507700429 /nfs/dbraw/zinc/70/04/29/507700429.db2.gz CWGKMDMTWPATCN-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC=CCC1 ZINC000611517527 507717157 /nfs/dbraw/zinc/71/71/57/507717157.db2.gz LSCQVIINQPJOJL-GFCCVEGCSA-N 1 2 358.423 3.307 20 5 FGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC=CCC1 ZINC000611517527 507717162 /nfs/dbraw/zinc/71/71/62/507717162.db2.gz LSCQVIINQPJOJL-GFCCVEGCSA-N 1 2 358.423 3.307 20 5 FGBDLO CCN(CC)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602514723 507733288 /nfs/dbraw/zinc/73/32/88/507733288.db2.gz LRLAQKVTJCQWTA-UHFFFAOYSA-N 1 2 355.398 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)cc1 ZINC000826498410 608173141 /nfs/dbraw/zinc/17/31/41/608173141.db2.gz TUQWISDTFWKGLI-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)cc1 ZINC000826498410 608173143 /nfs/dbraw/zinc/17/31/43/608173143.db2.gz TUQWISDTFWKGLI-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122440456 700689948 /nfs/dbraw/zinc/68/99/48/700689948.db2.gz LHVLZYNSVIQMSW-LZWOXQAQSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122440456 700689950 /nfs/dbraw/zinc/68/99/50/700689950.db2.gz LHVLZYNSVIQMSW-LZWOXQAQSA-N 1 2 367.877 3.322 20 5 FGBDLO CCc1nc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000524754363 714300056 /nfs/dbraw/zinc/30/00/56/714300056.db2.gz CKCYGGPSYKQZII-UHFFFAOYSA-N 1 2 351.428 3.133 20 5 FGBDLO CCc1nc(C[N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000524754363 714300060 /nfs/dbraw/zinc/30/00/60/714300060.db2.gz CKCYGGPSYKQZII-UHFFFAOYSA-N 1 2 351.428 3.133 20 5 FGBDLO Cc1c(NC(=O)CCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000619534399 714849201 /nfs/dbraw/zinc/84/92/01/714849201.db2.gz JYSPAAIMYHULKK-UHFFFAOYSA-N 1 2 367.203 3.281 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000755218571 722951364 /nfs/dbraw/zinc/95/13/64/722951364.db2.gz GEBGMCNJKDIUAO-UHFFFAOYSA-N 1 2 362.455 3.464 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000791438468 723243760 /nfs/dbraw/zinc/24/37/60/723243760.db2.gz DQOLQCSRGPJSBM-LBPRGKRZSA-N 1 2 351.472 3.268 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792912313 723381047 /nfs/dbraw/zinc/38/10/47/723381047.db2.gz YJUIADIAOKFHDR-RIEGTJTDSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792912313 723381049 /nfs/dbraw/zinc/38/10/49/723381049.db2.gz YJUIADIAOKFHDR-RIEGTJTDSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662296 723539040 /nfs/dbraw/zinc/53/90/40/723539040.db2.gz QXGNOEBKONCLSU-MFKMUULPSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000794662296 723539042 /nfs/dbraw/zinc/53/90/42/723539042.db2.gz QXGNOEBKONCLSU-MFKMUULPSA-N 1 2 355.320 3.084 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796296683 723631116 /nfs/dbraw/zinc/63/11/16/723631116.db2.gz YFXWMQSOJQPDQK-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796296683 723631133 /nfs/dbraw/zinc/63/11/33/723631133.db2.gz YFXWMQSOJQPDQK-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797528902 723831821 /nfs/dbraw/zinc/83/18/21/723831821.db2.gz ZHYBLAGKISEVJD-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797528902 723831823 /nfs/dbraw/zinc/83/18/23/723831823.db2.gz ZHYBLAGKISEVJD-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519807 724309476 /nfs/dbraw/zinc/30/94/76/724309476.db2.gz XUDJHPSWZJGKFZ-ZDUSSCGKSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519807 724309480 /nfs/dbraw/zinc/30/94/80/724309480.db2.gz XUDJHPSWZJGKFZ-ZDUSSCGKSA-N 1 2 353.394 3.175 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511139 725371122 /nfs/dbraw/zinc/37/11/22/725371122.db2.gz CTWOFJGGMUVOCH-AWEZNQCLSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511139 725371124 /nfs/dbraw/zinc/37/11/24/725371124.db2.gz CTWOFJGGMUVOCH-AWEZNQCLSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(OC[C@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816394624 727158073 /nfs/dbraw/zinc/15/80/73/727158073.db2.gz XMFGYRCIXCRWFF-GFCCVEGCSA-N 1 2 351.309 3.373 20 5 FGBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000825290346 729377220 /nfs/dbraw/zinc/37/72/20/729377220.db2.gz VVZVJNLFGHPDGZ-QWHCGFSZSA-N 1 2 353.444 3.098 20 5 FGBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000825290346 729377222 /nfs/dbraw/zinc/37/72/22/729377222.db2.gz VVZVJNLFGHPDGZ-QWHCGFSZSA-N 1 2 353.444 3.098 20 5 FGBDLO CSCCCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000828264123 729441787 /nfs/dbraw/zinc/44/17/87/729441787.db2.gz YEWUIJKHVISUKI-UHFFFAOYSA-N 1 2 362.455 3.434 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000831053271 729613742 /nfs/dbraw/zinc/61/37/42/729613742.db2.gz CMSPUDSYQXAIEF-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000831053271 729613746 /nfs/dbraw/zinc/61/37/46/729613746.db2.gz CMSPUDSYQXAIEF-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543873 729649869 /nfs/dbraw/zinc/64/98/69/729649869.db2.gz PRQLJHKIGAVXAS-XHDPSFHLSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000831543873 729649870 /nfs/dbraw/zinc/64/98/70/729649870.db2.gz PRQLJHKIGAVXAS-XHDPSFHLSA-N 1 2 369.849 3.322 20 5 FGBDLO O=C(OCCC1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000836103027 729941461 /nfs/dbraw/zinc/94/14/61/729941461.db2.gz IRRVCUFVZNFRPP-UHFFFAOYSA-N 1 2 351.309 3.373 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471246 730722914 /nfs/dbraw/zinc/72/29/14/730722914.db2.gz OYWGEKOVMWPEPO-OTYXRUKQSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471246 730722916 /nfs/dbraw/zinc/72/29/16/730722916.db2.gz OYWGEKOVMWPEPO-OTYXRUKQSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000844823035 730774771 /nfs/dbraw/zinc/77/47/71/730774771.db2.gz XKTPJFXEJDBRBR-HZPDHXFCSA-N 1 2 366.780 3.215 20 5 FGBDLO C[C@@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000844823033 730774893 /nfs/dbraw/zinc/77/48/93/730774893.db2.gz XKTPJFXEJDBRBR-CVEARBPZSA-N 1 2 366.780 3.215 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Cl)nc1 ZINC000851816646 731502498 /nfs/dbraw/zinc/50/24/98/731502498.db2.gz MDOUGASSVQWCSZ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Cl)nc1 ZINC000851816646 731502499 /nfs/dbraw/zinc/50/24/99/731502499.db2.gz MDOUGASSVQWCSZ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO COc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1C ZINC000853259597 731688738 /nfs/dbraw/zinc/68/87/38/731688738.db2.gz KBLZTLQSLVUSJX-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO COc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1C ZINC000853259597 731688743 /nfs/dbraw/zinc/68/87/43/731688743.db2.gz KBLZTLQSLVUSJX-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO CC(C)(C)S(=O)(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878324713 736806551 /nfs/dbraw/zinc/80/65/51/736806551.db2.gz APQWAXZNQHRLFJ-UHFFFAOYSA-N 1 2 354.472 3.163 20 5 FGBDLO CC(C)(C)S(=O)(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878324713 736806555 /nfs/dbraw/zinc/80/65/55/736806555.db2.gz APQWAXZNQHRLFJ-UHFFFAOYSA-N 1 2 354.472 3.163 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961602 737091198 /nfs/dbraw/zinc/09/11/98/737091198.db2.gz GVWUCSYZTYDYAA-NWDGAFQWSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961602 737091200 /nfs/dbraw/zinc/09/12/00/737091200.db2.gz GVWUCSYZTYDYAA-NWDGAFQWSA-N 1 2 369.849 3.058 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891533428 739912495 /nfs/dbraw/zinc/91/24/95/739912495.db2.gz ZVZQTQMGTDMKFR-CABCVRRESA-N 1 2 358.797 3.314 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891533428 739912499 /nfs/dbraw/zinc/91/24/99/739912499.db2.gz ZVZQTQMGTDMKFR-CABCVRRESA-N 1 2 358.797 3.314 20 5 FGBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000894694377 742319391 /nfs/dbraw/zinc/31/93/91/742319391.db2.gz DDMKOBZOOOCHDH-AWEZNQCLSA-N 1 2 366.801 3.128 20 5 FGBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000894694377 742319396 /nfs/dbraw/zinc/31/93/96/742319396.db2.gz DDMKOBZOOOCHDH-AWEZNQCLSA-N 1 2 366.801 3.128 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1cc(F)cc(Br)c1[N+](=O)[O-])C2 ZINC000896654269 742577754 /nfs/dbraw/zinc/57/77/54/742577754.db2.gz MMZXYSIVFHGDMJ-UHFFFAOYSA-N 1 2 369.194 3.276 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000900448780 743114303 /nfs/dbraw/zinc/11/43/03/743114303.db2.gz OCMHWWWMEWYZNR-UHFFFAOYSA-N 1 2 352.753 3.061 20 5 FGBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915669362 757964825 /nfs/dbraw/zinc/96/48/25/757964825.db2.gz FNNJRFZYSUBDJD-LLVKDONJSA-N 1 2 360.801 3.439 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000920278824 758529867 /nfs/dbraw/zinc/52/98/67/758529867.db2.gz WTPDMRGUGDQTHF-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930547990 760637450 /nfs/dbraw/zinc/63/74/50/760637450.db2.gz UMVNIAYOINUENZ-GOEBONIOSA-N 1 2 364.423 3.028 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)no1 ZINC000931938521 761010236 /nfs/dbraw/zinc/01/02/36/761010236.db2.gz RVDJVOLQIXIJBA-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)no1 ZINC000931938521 761010253 /nfs/dbraw/zinc/01/02/53/761010253.db2.gz RVDJVOLQIXIJBA-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595845735 507710229 /nfs/dbraw/zinc/71/02/29/507710229.db2.gz QFHUHUHYPRTQAN-CQSZACIVSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595845735 507710231 /nfs/dbraw/zinc/71/02/31/507710231.db2.gz QFHUHUHYPRTQAN-CQSZACIVSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000030656613 493902883 /nfs/dbraw/zinc/90/28/83/493902883.db2.gz MHTONWBFSYKWEB-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000032370931 493983637 /nfs/dbraw/zinc/98/36/37/493983637.db2.gz USJNGVNTXOHHBV-UHFFFAOYSA-N 1 2 352.394 3.166 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)c[nH+]2)CCO1 ZINC000052245292 494013978 /nfs/dbraw/zinc/01/39/78/494013978.db2.gz UJFMWMKPEWMWOG-LBPRGKRZSA-N 1 2 362.817 3.480 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC(C)(C)C1 ZINC000083415149 494016307 /nfs/dbraw/zinc/01/63/07/494016307.db2.gz GZKJFOSIOZFQIP-JTQLQIEISA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC(C)(C)C1 ZINC000083415149 494016309 /nfs/dbraw/zinc/01/63/09/494016309.db2.gz GZKJFOSIOZFQIP-JTQLQIEISA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000063309289 494043489 /nfs/dbraw/zinc/04/34/89/494043489.db2.gz VAEWLQOZMKQRNX-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000063309289 494043493 /nfs/dbraw/zinc/04/34/93/494043493.db2.gz VAEWLQOZMKQRNX-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000053099753 494093056 /nfs/dbraw/zinc/09/30/56/494093056.db2.gz NQYZCQCEDKTURN-UHFFFAOYSA-N 1 2 364.423 3.171 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000053099753 494093059 /nfs/dbraw/zinc/09/30/59/494093059.db2.gz NQYZCQCEDKTURN-UHFFFAOYSA-N 1 2 364.423 3.171 20 5 FGBDLO OCC1(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)COC1 ZINC000084852813 494101418 /nfs/dbraw/zinc/10/14/18/494101418.db2.gz YAXALPRKKWESEY-UHFFFAOYSA-N 1 2 351.431 3.137 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231681 494108192 /nfs/dbraw/zinc/10/81/92/494108192.db2.gz YIBZDETXYKIXOZ-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231681 494108194 /nfs/dbraw/zinc/10/81/94/494108194.db2.gz YIBZDETXYKIXOZ-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010761864 494160444 /nfs/dbraw/zinc/16/04/44/494160444.db2.gz NACQTAUTFSWJSN-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000010761864 494160449 /nfs/dbraw/zinc/16/04/49/494160449.db2.gz NACQTAUTFSWJSN-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](CCO)c1ccccc1 ZINC000072773185 494248747 /nfs/dbraw/zinc/24/87/47/494248747.db2.gz NFZPLIKWHPZCLE-QGZVFWFLSA-N 1 2 368.393 3.200 20 5 FGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](CCO)c1ccccc1 ZINC000072773185 494248750 /nfs/dbraw/zinc/24/87/50/494248750.db2.gz NFZPLIKWHPZCLE-QGZVFWFLSA-N 1 2 368.393 3.200 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605565 494252400 /nfs/dbraw/zinc/25/24/00/494252400.db2.gz CCLSCJSZIJKIRU-KGLIPLIRSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088605565 494252402 /nfs/dbraw/zinc/25/24/02/494252402.db2.gz CCLSCJSZIJKIRU-KGLIPLIRSA-N 1 2 371.412 3.358 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000571323011 505706534 /nfs/dbraw/zinc/70/65/34/505706534.db2.gz DUANMWGBSOCEHT-SFHVURJKSA-N 1 2 371.437 3.397 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000072899474 494279811 /nfs/dbraw/zinc/27/98/11/494279811.db2.gz WCGNSBJCSAUQDI-AWEZNQCLSA-N 1 2 363.464 3.045 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000072899474 494279814 /nfs/dbraw/zinc/27/98/14/494279814.db2.gz WCGNSBJCSAUQDI-AWEZNQCLSA-N 1 2 363.464 3.045 20 5 FGBDLO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000089513309 494319336 /nfs/dbraw/zinc/31/93/36/494319336.db2.gz MMDLZENPLPFQST-GFCCVEGCSA-N 1 2 355.373 3.474 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066436078 494335479 /nfs/dbraw/zinc/33/54/79/494335479.db2.gz QGEBGIPHEHCTHX-QGZVFWFLSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066436078 494335481 /nfs/dbraw/zinc/33/54/81/494335481.db2.gz QGEBGIPHEHCTHX-QGZVFWFLSA-N 1 2 373.409 3.116 20 5 FGBDLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000044589265 494367732 /nfs/dbraw/zinc/36/77/32/494367732.db2.gz SAUOCUVZRFNKMP-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000073767374 494425183 /nfs/dbraw/zinc/42/51/83/494425183.db2.gz KAIAWEVSZBTARG-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045491736 494433600 /nfs/dbraw/zinc/43/36/00/494433600.db2.gz RFPXUKFKELRZLC-UHFFFAOYSA-N 1 2 373.800 3.238 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056520269 494519649 /nfs/dbraw/zinc/51/96/49/494519649.db2.gz NMTMWVXHDLYQMR-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO O=C(NCc1coc2ccccc12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000074666513 494572935 /nfs/dbraw/zinc/57/29/35/494572935.db2.gz LHNXSZJCKHMNOT-UHFFFAOYSA-N 1 2 362.345 3.457 20 5 FGBDLO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126289483 494698605 /nfs/dbraw/zinc/69/86/05/494698605.db2.gz JMTOOAZMPYJSAU-WBMJQRKESA-N 1 2 362.817 3.097 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000092968554 494796522 /nfs/dbraw/zinc/79/65/22/494796522.db2.gz KOFFQVVWZZHZRX-QGZVFWFLSA-N 1 2 356.378 3.409 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000092968554 494796525 /nfs/dbraw/zinc/79/65/25/494796525.db2.gz KOFFQVVWZZHZRX-QGZVFWFLSA-N 1 2 356.378 3.409 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026332695 494819232 /nfs/dbraw/zinc/81/92/32/494819232.db2.gz LOSCUZOGCJLCEM-CYBMUJFWSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026332695 494819234 /nfs/dbraw/zinc/81/92/34/494819234.db2.gz LOSCUZOGCJLCEM-CYBMUJFWSA-N 1 2 368.792 3.259 20 5 FGBDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000027869676 494888760 /nfs/dbraw/zinc/88/87/60/494888760.db2.gz RMCXUMQKBAJDPA-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc(OC)c1OC ZINC000093443783 494892440 /nfs/dbraw/zinc/89/24/40/494892440.db2.gz HRAHYZOUPATWMZ-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc(OC)c1OC ZINC000093443783 494892444 /nfs/dbraw/zinc/89/24/44/494892444.db2.gz HRAHYZOUPATWMZ-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093864396 494928286 /nfs/dbraw/zinc/92/82/86/494928286.db2.gz KIFCJDQMXRWWJV-CQSZACIVSA-N 1 2 366.368 3.439 20 5 FGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093864396 494928289 /nfs/dbraw/zinc/92/82/89/494928289.db2.gz KIFCJDQMXRWWJV-CQSZACIVSA-N 1 2 366.368 3.439 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000127334128 494930172 /nfs/dbraw/zinc/93/01/72/494930172.db2.gz RILBZEPSFDCGPA-UHFFFAOYSA-N 1 2 368.368 3.169 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133182248 494981270 /nfs/dbraw/zinc/98/12/70/494981270.db2.gz OZTBPJPJTKNQCG-UHFFFAOYSA-N 1 2 369.425 3.166 20 5 FGBDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122653784 495010713 /nfs/dbraw/zinc/01/07/13/495010713.db2.gz NRIUNWLSBIHWAO-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122653784 495010715 /nfs/dbraw/zinc/01/07/15/495010715.db2.gz NRIUNWLSBIHWAO-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000574365246 505755594 /nfs/dbraw/zinc/75/55/94/505755594.db2.gz YNPKGMXCOXRRIJ-WBVHZDCISA-N 1 2 374.441 3.496 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000574365246 505755596 /nfs/dbraw/zinc/75/55/96/505755596.db2.gz YNPKGMXCOXRRIJ-WBVHZDCISA-N 1 2 374.441 3.496 20 5 FGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000097676660 495040639 /nfs/dbraw/zinc/04/06/39/495040639.db2.gz UGJSPYUKWLQJHD-UHFFFAOYSA-N 1 2 368.418 3.189 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119039428 495077914 /nfs/dbraw/zinc/07/79/14/495077914.db2.gz DSMYMHWLYMKPHK-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119039428 495077920 /nfs/dbraw/zinc/07/79/20/495077920.db2.gz DSMYMHWLYMKPHK-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123244560 495102796 /nfs/dbraw/zinc/10/27/96/495102796.db2.gz XIOFUAKKRKHTKA-BLLLJJGKSA-N 1 2 360.439 3.237 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123244111 495102978 /nfs/dbraw/zinc/10/29/78/495102978.db2.gz XIOFUAKKRKHTKA-LRDDRELGSA-N 1 2 360.439 3.237 20 5 FGBDLO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134567958 495169228 /nfs/dbraw/zinc/16/92/28/495169228.db2.gz JELBADOXJVFYBO-GFCCVEGCSA-N 1 2 357.863 3.404 20 5 FGBDLO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134567958 495169231 /nfs/dbraw/zinc/16/92/31/495169231.db2.gz JELBADOXJVFYBO-GFCCVEGCSA-N 1 2 357.863 3.404 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000102929096 495173747 /nfs/dbraw/zinc/17/37/47/495173747.db2.gz PHSFWPPIHUSUCY-HNNXBMFYSA-N 1 2 369.377 3.099 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000102929096 495173752 /nfs/dbraw/zinc/17/37/52/495173752.db2.gz PHSFWPPIHUSUCY-HNNXBMFYSA-N 1 2 369.377 3.099 20 5 FGBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000119672158 495215183 /nfs/dbraw/zinc/21/51/83/495215183.db2.gz JUVOZEVHODGLEF-SNVBAGLBSA-N 1 2 361.785 3.430 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134962598 495231943 /nfs/dbraw/zinc/23/19/43/495231943.db2.gz AFRFQDJSIWEIAF-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000568772633 505774062 /nfs/dbraw/zinc/77/40/62/505774062.db2.gz YIBSYLWGNQBRQI-HNNXBMFYSA-N 1 2 372.322 3.418 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000568772633 505774067 /nfs/dbraw/zinc/77/40/67/505774067.db2.gz YIBSYLWGNQBRQI-HNNXBMFYSA-N 1 2 372.322 3.418 20 5 FGBDLO COc1cc(F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000124577754 495310291 /nfs/dbraw/zinc/31/02/91/495310291.db2.gz FCGJJKTVUSEXEX-UHFFFAOYSA-N 1 2 374.303 3.320 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114724945 495416251 /nfs/dbraw/zinc/41/62/51/495416251.db2.gz USAWXRMTLYAIRM-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114724945 495416255 /nfs/dbraw/zinc/41/62/55/495416255.db2.gz USAWXRMTLYAIRM-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccncc3)o2)cc1 ZINC000125486203 495451691 /nfs/dbraw/zinc/45/16/91/495451691.db2.gz USOWZJCNNKOQIK-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000115557833 495516297 /nfs/dbraw/zinc/51/62/97/495516297.db2.gz HISUTYZQDCPHBB-UHFFFAOYSA-N 1 2 373.384 3.216 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000147503731 495575397 /nfs/dbraw/zinc/57/53/97/495575397.db2.gz NDCAFFBCLANRAK-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000154314773 495577797 /nfs/dbraw/zinc/57/77/97/495577797.db2.gz JTXISTHDVBPHFJ-IIDMSEBBSA-N 1 2 371.441 3.453 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150219499 495609061 /nfs/dbraw/zinc/60/90/61/495609061.db2.gz WWAZZXZWTVEFKX-UHFFFAOYSA-N 1 2 351.366 3.165 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571721302 505798236 /nfs/dbraw/zinc/79/82/36/505798236.db2.gz HJQQFRXKBPOEHV-UHFFFAOYSA-N 1 2 364.405 3.089 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000182790293 495703786 /nfs/dbraw/zinc/70/37/86/495703786.db2.gz DSZIGINZWPBVDR-LBPRGKRZSA-N 1 2 363.355 3.482 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000171184292 495760123 /nfs/dbraw/zinc/76/01/23/495760123.db2.gz FICYLXYFZCRMKZ-UHFFFAOYSA-N 1 2 351.366 3.046 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154928813 495775105 /nfs/dbraw/zinc/77/51/05/495775105.db2.gz WFTPQKPHYFWUFX-KRWDZBQOSA-N 1 2 368.437 3.418 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154928813 495775110 /nfs/dbraw/zinc/77/51/10/495775110.db2.gz WFTPQKPHYFWUFX-KRWDZBQOSA-N 1 2 368.437 3.418 20 5 FGBDLO NC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c([N+](=O)[O-])c1 ZINC000179982954 495810049 /nfs/dbraw/zinc/81/00/49/495810049.db2.gz AKWAHFVALDNZDC-UHFFFAOYSA-N 1 2 361.348 3.141 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000180027963 495828705 /nfs/dbraw/zinc/82/87/05/495828705.db2.gz JYQKRZDDQZOTNL-UHFFFAOYSA-N 1 2 368.441 3.390 20 5 FGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000151566450 495880848 /nfs/dbraw/zinc/88/08/48/495880848.db2.gz HOJUKSJQPVJCLI-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000151566450 495880852 /nfs/dbraw/zinc/88/08/52/495880852.db2.gz HOJUKSJQPVJCLI-UHFFFAOYSA-N 1 2 356.195 3.467 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152437482 496151354 /nfs/dbraw/zinc/15/13/54/496151354.db2.gz FDPLODMEZLLJME-WFASDCNBSA-N 1 2 367.764 3.156 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152437482 496151360 /nfs/dbraw/zinc/15/13/60/496151360.db2.gz FDPLODMEZLLJME-WFASDCNBSA-N 1 2 367.764 3.156 20 5 FGBDLO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183907044 496156505 /nfs/dbraw/zinc/15/65/05/496156505.db2.gz DNRVCDCTAZWSIF-UHFFFAOYSA-N 1 2 355.350 3.361 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000175120491 496255364 /nfs/dbraw/zinc/25/53/64/496255364.db2.gz AYDBAUYYDSWERF-GOSISDBHSA-N 1 2 356.426 3.123 20 5 FGBDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000175120491 496255366 /nfs/dbraw/zinc/25/53/66/496255366.db2.gz AYDBAUYYDSWERF-GOSISDBHSA-N 1 2 356.426 3.123 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175122669 496256479 /nfs/dbraw/zinc/25/64/79/496256479.db2.gz OEMGDSFFNHOHSX-GOSISDBHSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175122669 496256480 /nfs/dbraw/zinc/25/64/80/496256480.db2.gz OEMGDSFFNHOHSX-GOSISDBHSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1c(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000161957215 496270387 /nfs/dbraw/zinc/27/03/87/496270387.db2.gz AFOVPJIXTWLSMI-UHFFFAOYSA-N 1 2 368.437 3.147 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175272516 496318516 /nfs/dbraw/zinc/31/85/16/496318516.db2.gz CFCZZXOLBQEEKJ-WMLDXEAASA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000175272516 496318518 /nfs/dbraw/zinc/31/85/18/496318518.db2.gz CFCZZXOLBQEEKJ-WMLDXEAASA-N 1 2 369.421 3.083 20 5 FGBDLO CC(C)N(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153245784 496395748 /nfs/dbraw/zinc/39/57/48/496395748.db2.gz FTVXYSDWMDWZKN-UHFFFAOYSA-N 1 2 353.422 3.395 20 5 FGBDLO CC(C)N(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153245784 496395753 /nfs/dbraw/zinc/39/57/53/496395753.db2.gz FTVXYSDWMDWZKN-UHFFFAOYSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccs1 ZINC000153260623 496400439 /nfs/dbraw/zinc/40/04/39/496400439.db2.gz PTFWKBQJUREEHN-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccs1 ZINC000153260623 496400442 /nfs/dbraw/zinc/40/04/42/496400442.db2.gz PTFWKBQJUREEHN-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000172957450 496501093 /nfs/dbraw/zinc/50/10/93/496501093.db2.gz LFGKMHPBRVTOLC-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178586592 496508006 /nfs/dbraw/zinc/50/80/06/496508006.db2.gz UKZKXOBZGPXSPJ-UHFFFAOYSA-N 1 2 358.373 3.084 20 5 FGBDLO Cc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000153655258 496534576 /nfs/dbraw/zinc/53/45/76/496534576.db2.gz BNHRWFUONTWYTH-OAHLLOKOSA-N 1 2 355.394 3.310 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000184806591 496539156 /nfs/dbraw/zinc/53/91/56/496539156.db2.gz KAZFMGOIMQXGFX-BLLLJJGKSA-N 1 2 361.398 3.055 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000157797012 496557920 /nfs/dbraw/zinc/55/79/20/496557920.db2.gz CMONCVQJBVDGDO-MRXNPFEDSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000157797012 496557925 /nfs/dbraw/zinc/55/79/25/496557925.db2.gz CMONCVQJBVDGDO-MRXNPFEDSA-N 1 2 364.423 3.117 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000181923145 496601627 /nfs/dbraw/zinc/60/16/27/496601627.db2.gz WYBCBDRDGGFYLX-QGZVFWFLSA-N 1 2 372.421 3.056 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000181923145 496601636 /nfs/dbraw/zinc/60/16/36/496601636.db2.gz WYBCBDRDGGFYLX-QGZVFWFLSA-N 1 2 372.421 3.056 20 5 FGBDLO C[C@@H]1CCCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000154132681 496692182 /nfs/dbraw/zinc/69/21/82/496692182.db2.gz KFPGAGVMQGIGIW-CQSZACIVSA-N 1 2 353.426 3.184 20 5 FGBDLO C[C@@H]1CCCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000154132681 496692189 /nfs/dbraw/zinc/69/21/89/496692189.db2.gz KFPGAGVMQGIGIW-CQSZACIVSA-N 1 2 353.426 3.184 20 5 FGBDLO COCC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccco1 ZINC000273224311 496744960 /nfs/dbraw/zinc/74/49/60/496744960.db2.gz DTXRWEBOFMXFEL-AWEZNQCLSA-N 1 2 358.354 3.105 20 5 FGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000247019796 496754317 /nfs/dbraw/zinc/75/43/17/496754317.db2.gz UMJAFYMBTQMTAC-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000247019796 496754319 /nfs/dbraw/zinc/75/43/19/496754319.db2.gz UMJAFYMBTQMTAC-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)n1 ZINC000191761866 496881313 /nfs/dbraw/zinc/88/13/13/496881313.db2.gz CKUOGHHMPQHAEK-UHFFFAOYSA-N 1 2 356.386 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774778 496881880 /nfs/dbraw/zinc/88/18/80/496881880.db2.gz NJDXPCZHDQQJGS-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774778 496881885 /nfs/dbraw/zinc/88/18/85/496881885.db2.gz NJDXPCZHDQQJGS-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000277970782 496956450 /nfs/dbraw/zinc/95/64/50/496956450.db2.gz ILXVDMXMTJCXKG-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248442123 497012921 /nfs/dbraw/zinc/01/29/21/497012921.db2.gz DWZTZEICBXELNM-CZUORRHYSA-N 1 2 373.384 3.214 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248442123 497012926 /nfs/dbraw/zinc/01/29/26/497012926.db2.gz DWZTZEICBXELNM-CZUORRHYSA-N 1 2 373.384 3.214 20 5 FGBDLO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000274104757 497016361 /nfs/dbraw/zinc/01/63/61/497016361.db2.gz VEMVBYPLLFDXPU-GFCCVEGCSA-N 1 2 360.439 3.356 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000192261391 497052743 /nfs/dbraw/zinc/05/27/43/497052743.db2.gz RQKZBKDMJXJZAU-UHFFFAOYSA-N 1 2 358.442 3.469 20 5 FGBDLO C[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000572080849 505883475 /nfs/dbraw/zinc/88/34/75/505883475.db2.gz MGIUUWCJYWHBEG-UHFFFAOYSA-N 1 2 357.435 3.134 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635550 497170644 /nfs/dbraw/zinc/17/06/44/497170644.db2.gz VBLGEWMSQUDUDZ-ZIAGYGMSSA-N 1 2 359.401 3.432 20 5 FGBDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635550 497170649 /nfs/dbraw/zinc/17/06/49/497170649.db2.gz VBLGEWMSQUDUDZ-ZIAGYGMSSA-N 1 2 359.401 3.432 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278946512 497276619 /nfs/dbraw/zinc/27/66/19/497276619.db2.gz LREGJKOSUITYNY-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255621514 497370920 /nfs/dbraw/zinc/37/09/20/497370920.db2.gz IVLZLFWZOHMTPG-POHAHGRESA-N 1 2 365.433 3.374 20 5 FGBDLO CCc1cc(N[C@H](C)CC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266885457 497438828 /nfs/dbraw/zinc/43/88/28/497438828.db2.gz YYBKYSIEYUPEIZ-YDBLSZJJSA-N 1 2 362.455 3.183 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000572182794 505908969 /nfs/dbraw/zinc/90/89/69/505908969.db2.gz PXWHSUAXOLXMLC-GFCCVEGCSA-N 1 2 355.394 3.500 20 5 FGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267578048 497582264 /nfs/dbraw/zinc/58/22/64/497582264.db2.gz FOROGPGXALLAAJ-UHFFFAOYSA-N 1 2 361.398 3.290 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268251727 497712390 /nfs/dbraw/zinc/71/23/90/497712390.db2.gz OYGSTEGHZTYIBJ-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268251727 497712394 /nfs/dbraw/zinc/71/23/94/497712394.db2.gz OYGSTEGHZTYIBJ-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1[nH+]c2ccccc2c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1C(C)C ZINC000191322844 497780834 /nfs/dbraw/zinc/78/08/34/497780834.db2.gz RBRKNQSZMQSWQV-UHFFFAOYSA-N 1 2 353.382 3.410 20 5 FGBDLO C[C@]12CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284649330 497853482 /nfs/dbraw/zinc/85/34/82/497853482.db2.gz FXVKEKDSLHSXCN-OCCSQVGLSA-N 1 2 358.225 3.049 20 5 FGBDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284649330 497853487 /nfs/dbraw/zinc/85/34/87/497853487.db2.gz FXVKEKDSLHSXCN-OCCSQVGLSA-N 1 2 358.225 3.049 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000364343722 497910075 /nfs/dbraw/zinc/91/00/75/497910075.db2.gz XQUXSESTZHQVHU-MRXNPFEDSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000364343722 497910080 /nfs/dbraw/zinc/91/00/80/497910080.db2.gz XQUXSESTZHQVHU-MRXNPFEDSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000364343722 497910085 /nfs/dbraw/zinc/91/00/85/497910085.db2.gz XQUXSESTZHQVHU-MRXNPFEDSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000364343722 497910090 /nfs/dbraw/zinc/91/00/90/497910090.db2.gz XQUXSESTZHQVHU-MRXNPFEDSA-N 1 2 352.398 3.019 20 5 FGBDLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281035645 497995780 /nfs/dbraw/zinc/99/57/80/497995780.db2.gz VVEJTDDMKIHYIL-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO Cc1cc(NCC[S@@](=O)C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301324306 498056580 /nfs/dbraw/zinc/05/65/80/498056580.db2.gz XIWJUPBLPRAYGQ-RUZDIDTESA-N 1 2 362.455 3.319 20 5 FGBDLO CCc1cc(N[C@@H]2CCC[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301334774 498061668 /nfs/dbraw/zinc/06/16/68/498061668.db2.gz BTGAVVZXYONOIX-DZGCQCFKSA-N 1 2 369.425 3.070 20 5 FGBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc([NH+]2CCCCCC2)c1 ZINC000301347341 498068738 /nfs/dbraw/zinc/06/87/38/498068738.db2.gz KFXIBTNRTXMUNA-UHFFFAOYSA-N 1 2 355.398 3.213 20 5 FGBDLO O=[N+]([O-])c1cnc(NCCCCNc2cccc[nH+]2)c(Br)c1 ZINC000301571295 498168657 /nfs/dbraw/zinc/16/86/57/498168657.db2.gz WYNHERJLBLFFJN-UHFFFAOYSA-N 1 2 366.219 3.452 20 5 FGBDLO Cc1cc(N2CC[C@H]3OCCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301725232 498240275 /nfs/dbraw/zinc/24/02/75/498240275.db2.gz PKEMGRGLODMZSQ-NVXWUHKLSA-N 1 2 354.410 3.366 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000289699046 498254331 /nfs/dbraw/zinc/25/43/31/498254331.db2.gz GYKPWNIGTJYSFF-SUMWQHHRSA-N 1 2 357.414 3.469 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301781208 498261875 /nfs/dbraw/zinc/26/18/75/498261875.db2.gz RVDRUOQGZKVYOY-LBPRGKRZSA-N 1 2 363.215 3.443 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000302069651 498395996 /nfs/dbraw/zinc/39/59/96/498395996.db2.gz DTFHWUIRXYHIES-UHFFFAOYSA-N 1 2 360.757 3.295 20 5 FGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[S@]1=O ZINC000286503156 498418958 /nfs/dbraw/zinc/41/89/58/498418958.db2.gz YKTQMPQETDBPAZ-ZVMMWWORSA-N 1 2 374.466 3.096 20 5 FGBDLO CCN(C(C)=O)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282483193 498529685 /nfs/dbraw/zinc/52/96/85/498529685.db2.gz PBCPQJXKKRFPKA-UHFFFAOYSA-N 1 2 362.455 3.099 20 5 FGBDLO CCN(C(C)=O)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282483193 498529688 /nfs/dbraw/zinc/52/96/88/498529688.db2.gz PBCPQJXKKRFPKA-UHFFFAOYSA-N 1 2 362.455 3.099 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1F ZINC000282532892 498547297 /nfs/dbraw/zinc/54/72/97/498547297.db2.gz QPBQLOBBOWFESY-UHFFFAOYSA-N 1 2 366.780 3.221 20 5 FGBDLO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000363093627 498645111 /nfs/dbraw/zinc/64/51/11/498645111.db2.gz HQJPQIZEVRKVPO-UHFFFAOYSA-N 1 2 363.399 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)cn1 ZINC000573025732 506102065 /nfs/dbraw/zinc/10/20/65/506102065.db2.gz YPFQXRLUEDZRHX-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000573078819 506113547 /nfs/dbraw/zinc/11/35/47/506113547.db2.gz ZQUIDSMCPWZJMK-UHFFFAOYSA-N 1 2 364.365 3.128 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)nc3Cl)CC2)n1 ZINC000366995808 499131141 /nfs/dbraw/zinc/13/11/41/499131141.db2.gz LZAVIXOIBMTZFD-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079833 499145179 /nfs/dbraw/zinc/14/51/79/499145179.db2.gz IEKHQQMICSQVAZ-UKRRQHHQSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079833 499145182 /nfs/dbraw/zinc/14/51/82/499145182.db2.gz IEKHQQMICSQVAZ-UKRRQHHQSA-N 1 2 368.397 3.239 20 5 FGBDLO Cc1c([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000372837962 499182562 /nfs/dbraw/zinc/18/25/62/499182562.db2.gz LEQVYDMLGOIREQ-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000372837962 499182564 /nfs/dbraw/zinc/18/25/64/499182564.db2.gz LEQVYDMLGOIREQ-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000367721724 499228233 /nfs/dbraw/zinc/22/82/33/499228233.db2.gz RNWLIZLUTLLLAZ-UHFFFAOYSA-N 1 2 356.411 3.075 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](O)c4ccccc4C3)o2)cc1 ZINC000367926088 499246420 /nfs/dbraw/zinc/24/64/20/499246420.db2.gz HXXDGBNHDNWVKV-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](O)c4ccccc4C3)o2)cc1 ZINC000367926088 499246422 /nfs/dbraw/zinc/24/64/22/499246422.db2.gz HXXDGBNHDNWVKV-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(F)c2F)c1 ZINC000371383080 499318426 /nfs/dbraw/zinc/31/84/26/499318426.db2.gz MTHXGNSHWWKSCF-UHFFFAOYSA-N 1 2 372.331 3.204 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000371471372 499331321 /nfs/dbraw/zinc/33/13/21/499331321.db2.gz TXSKGQXVYKOWOG-SWLSCSKDSA-N 1 2 360.439 3.173 20 5 FGBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529553 499338672 /nfs/dbraw/zinc/33/86/72/499338672.db2.gz SQTKIBPBOHJIDB-NVXWUHKLSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529553 499338673 /nfs/dbraw/zinc/33/86/73/499338673.db2.gz SQTKIBPBOHJIDB-NVXWUHKLSA-N 1 2 374.393 3.007 20 5 FGBDLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003428 499356108 /nfs/dbraw/zinc/35/61/08/499356108.db2.gz UXMJJEIVHXTSDJ-CYBMUJFWSA-N 1 2 372.404 3.137 20 5 FGBDLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003428 499356109 /nfs/dbraw/zinc/35/61/09/499356109.db2.gz UXMJJEIVHXTSDJ-CYBMUJFWSA-N 1 2 372.404 3.137 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007574 499356610 /nfs/dbraw/zinc/35/66/10/499356610.db2.gz IVNOWYIYQQONIE-HZPDHXFCSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007574 499356612 /nfs/dbraw/zinc/35/66/12/499356612.db2.gz IVNOWYIYQQONIE-HZPDHXFCSA-N 1 2 371.441 3.072 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCCOC2)O1 ZINC000369552085 499416356 /nfs/dbraw/zinc/41/63/56/499416356.db2.gz QEEYHDVOMMJRDQ-KUHUBIRLSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCCOC2)O1 ZINC000369552085 499416358 /nfs/dbraw/zinc/41/63/58/499416358.db2.gz QEEYHDVOMMJRDQ-KUHUBIRLSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCCOC2)O1 ZINC000369552086 499416588 /nfs/dbraw/zinc/41/65/88/499416588.db2.gz QEEYHDVOMMJRDQ-LIRRHRJNSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCCOC2)O1 ZINC000369552086 499416590 /nfs/dbraw/zinc/41/65/90/499416590.db2.gz QEEYHDVOMMJRDQ-LIRRHRJNSA-N 1 2 373.409 3.020 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707042 499484324 /nfs/dbraw/zinc/48/43/24/499484324.db2.gz IPOZVCPHOQGUFB-QZTJIDSGSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707042 499484325 /nfs/dbraw/zinc/48/43/25/499484325.db2.gz IPOZVCPHOQGUFB-QZTJIDSGSA-N 1 2 370.405 3.425 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000375419641 499516525 /nfs/dbraw/zinc/51/65/25/499516525.db2.gz KADPXHFOVDOLHC-IUODEOHRSA-N 1 2 351.366 3.280 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000383067497 499546008 /nfs/dbraw/zinc/54/60/08/499546008.db2.gz GZGUJPAZDMDXIA-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000383067497 499546009 /nfs/dbraw/zinc/54/60/09/499546009.db2.gz GZGUJPAZDMDXIA-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000408447419 499588955 /nfs/dbraw/zinc/58/89/55/499588955.db2.gz XMCJOMGVXWSFCJ-VQIMIIECSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000408447419 499588956 /nfs/dbraw/zinc/58/89/56/499588956.db2.gz XMCJOMGVXWSFCJ-VQIMIIECSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411184929 499708116 /nfs/dbraw/zinc/70/81/16/499708116.db2.gz VVCCEWCVULETOR-ZWKOTPCHSA-N 1 2 371.462 3.104 20 5 FGBDLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000412180157 499831398 /nfs/dbraw/zinc/83/13/98/499831398.db2.gz BCHKQGWCUFTHAK-VIBAHUMZSA-N 1 2 354.410 3.005 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000412327818 499845290 /nfs/dbraw/zinc/84/52/90/499845290.db2.gz FAUJXEMVQIHSNM-UHFFFAOYSA-N 1 2 366.377 3.223 20 5 FGBDLO Cn1ccnc1[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413313098 499940312 /nfs/dbraw/zinc/94/03/12/499940312.db2.gz GYHRGLDTSFNDCF-CZUORRHYSA-N 1 2 353.382 3.209 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130238 500008467 /nfs/dbraw/zinc/00/84/67/500008467.db2.gz UGCXDQVNAXGGLZ-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429130238 500008471 /nfs/dbraw/zinc/00/84/71/500008471.db2.gz UGCXDQVNAXGGLZ-ZIAGYGMSSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130235 500008531 /nfs/dbraw/zinc/00/85/31/500008531.db2.gz UGCXDQVNAXGGLZ-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130235 500008535 /nfs/dbraw/zinc/00/85/35/500008535.db2.gz UGCXDQVNAXGGLZ-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000417275259 500025872 /nfs/dbraw/zinc/02/58/72/500025872.db2.gz BNCKVHQTJZPKLP-ARFHVFGLSA-N 1 2 358.398 3.031 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000417275259 500025874 /nfs/dbraw/zinc/02/58/74/500025874.db2.gz BNCKVHQTJZPKLP-ARFHVFGLSA-N 1 2 358.398 3.031 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429376865 500064281 /nfs/dbraw/zinc/06/42/81/500064281.db2.gz BLOKLVBXAMYSID-KBPBESRZSA-N 1 2 363.458 3.071 20 5 FGBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000425375189 500088927 /nfs/dbraw/zinc/08/89/27/500088927.db2.gz YVQAXRONPRPOTG-AWEZNQCLSA-N 1 2 369.425 3.419 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000430222013 500211376 /nfs/dbraw/zinc/21/13/76/500211376.db2.gz SWCKWOUIGOEUFS-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000430222013 500211378 /nfs/dbraw/zinc/21/13/78/500211378.db2.gz SWCKWOUIGOEUFS-IBGZPJMESA-N 1 2 356.422 3.437 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426859776 500330008 /nfs/dbraw/zinc/33/00/08/500330008.db2.gz SKJFRCAZPDXSPY-UHFFFAOYSA-N 1 2 363.364 3.074 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426874598 500332071 /nfs/dbraw/zinc/33/20/71/500332071.db2.gz JJCCMCXPWJEDJM-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO O=C(C[NH+]1CCC(OC2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419309449 500351770 /nfs/dbraw/zinc/35/17/70/500351770.db2.gz WEHKWYSLTCAIAR-UHFFFAOYSA-N 1 2 367.833 3.220 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432144469 500476254 /nfs/dbraw/zinc/47/62/54/500476254.db2.gz YHKNHIZCKCTPFM-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO Cc1cc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420705930 500490307 /nfs/dbraw/zinc/49/03/07/500490307.db2.gz ZMWZTVMULURKBG-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO Cc1cc(N[C@H]2Cc3cccc(O)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000428659849 500539212 /nfs/dbraw/zinc/53/92/12/500539212.db2.gz JKMYUANMEMOEDM-HNNXBMFYSA-N 1 2 362.389 3.067 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434042842 500785874 /nfs/dbraw/zinc/78/58/74/500785874.db2.gz QJJRHOCOHXLENA-OAHLLOKOSA-N 1 2 353.334 3.030 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@H+](C)Cc3ccccc3)n2)c1 ZINC000445571035 501003714 /nfs/dbraw/zinc/00/37/14/501003714.db2.gz KGOUSXUUGDXMTP-UHFFFAOYSA-N 1 2 368.393 3.209 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@@H+](C)Cc3ccccc3)n2)c1 ZINC000445571035 501003719 /nfs/dbraw/zinc/00/37/19/501003719.db2.gz KGOUSXUUGDXMTP-UHFFFAOYSA-N 1 2 368.393 3.209 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000445818194 501036611 /nfs/dbraw/zinc/03/66/11/501036611.db2.gz JTSXUPFRUQUXHU-AYPLEAKFSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000445818194 501036614 /nfs/dbraw/zinc/03/66/14/501036614.db2.gz JTSXUPFRUQUXHU-AYPLEAKFSA-N 1 2 356.382 3.074 20 5 FGBDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000440904819 501061831 /nfs/dbraw/zinc/06/18/31/501061831.db2.gz OWMHJNSARBJJLB-UHFFFAOYSA-N 1 2 373.800 3.465 20 5 FGBDLO Cc1cc(C)c(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449733043 501071434 /nfs/dbraw/zinc/07/14/34/501071434.db2.gz FOIAFTHLSFQXHL-SFHVURJKSA-N 1 2 351.410 3.219 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000446106510 501075720 /nfs/dbraw/zinc/07/57/20/501075720.db2.gz CAPDVVHWHARBCA-UHFFFAOYSA-N 1 2 358.304 3.443 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000446110266 501076345 /nfs/dbraw/zinc/07/63/45/501076345.db2.gz YSZGFSIMSACZHM-UHFFFAOYSA-N 1 2 358.785 3.443 20 5 FGBDLO CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000436158184 501080416 /nfs/dbraw/zinc/08/04/16/501080416.db2.gz CKTBVNVGCNACBF-HZMBPMFUSA-N 1 2 370.331 3.487 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413071 501115329 /nfs/dbraw/zinc/11/53/29/501115329.db2.gz RTXDPDCGPZEKLC-WBVHZDCISA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413071 501115333 /nfs/dbraw/zinc/11/53/33/501115333.db2.gz RTXDPDCGPZEKLC-WBVHZDCISA-N 1 2 362.817 3.127 20 5 FGBDLO CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449887904 501118046 /nfs/dbraw/zinc/11/80/46/501118046.db2.gz NRGYVWMEFHTKNN-KGLIPLIRSA-N 1 2 360.439 3.185 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602624888 506237168 /nfs/dbraw/zinc/23/71/68/506237168.db2.gz PGNAHDPIHGAKML-CYBMUJFWSA-N 1 2 363.277 3.403 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602624888 506237176 /nfs/dbraw/zinc/23/71/76/506237176.db2.gz PGNAHDPIHGAKML-CYBMUJFWSA-N 1 2 363.277 3.403 20 5 FGBDLO CCC(CC)n1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000446759210 501162634 /nfs/dbraw/zinc/16/26/34/501162634.db2.gz FCBIJKALARJJND-UHFFFAOYSA-N 1 2 357.458 3.475 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000450722984 501194424 /nfs/dbraw/zinc/19/44/24/501194424.db2.gz FSBANDBZKNFWOB-UHFFFAOYSA-N 1 2 370.453 3.175 20 5 FGBDLO Cc1cccnc1CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450722984 501194425 /nfs/dbraw/zinc/19/44/25/501194425.db2.gz FSBANDBZKNFWOB-UHFFFAOYSA-N 1 2 370.453 3.175 20 5 FGBDLO O=C(N[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159180 501196749 /nfs/dbraw/zinc/19/67/49/501196749.db2.gz SIIOEIZFFDBCOO-LBPRGKRZSA-N 1 2 350.325 3.088 20 5 FGBDLO CCc1cc(N[C@H](C)c2[nH+]ccn2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450822969 501213916 /nfs/dbraw/zinc/21/39/16/501213916.db2.gz BQEIYJHAUGMNAM-CYBMUJFWSA-N 1 2 366.425 3.426 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)(c4ccccn4)CC3)nc2c1 ZINC000450928183 501231113 /nfs/dbraw/zinc/23/11/13/501231113.db2.gz FIHPJLOLWHBLFN-UHFFFAOYSA-N 1 2 355.373 3.327 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000451020487 501239558 /nfs/dbraw/zinc/23/95/58/501239558.db2.gz XEBXXRYOMVDZOT-CQSZACIVSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000451020487 501239559 /nfs/dbraw/zinc/23/95/59/501239559.db2.gz XEBXXRYOMVDZOT-CQSZACIVSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451020487 501239560 /nfs/dbraw/zinc/23/95/60/501239560.db2.gz XEBXXRYOMVDZOT-CQSZACIVSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451020487 501239561 /nfs/dbraw/zinc/23/95/61/501239561.db2.gz XEBXXRYOMVDZOT-CQSZACIVSA-N 1 2 360.805 3.158 20 5 FGBDLO Cc1c([C@H](C)[NH2+]Cc2nn(C)cc2Br)cccc1[N+](=O)[O-] ZINC000453309290 501312813 /nfs/dbraw/zinc/31/28/13/501312813.db2.gz PKHQGCRDQAHUCI-JTQLQIEISA-N 1 2 353.220 3.250 20 5 FGBDLO CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451525228 501313014 /nfs/dbraw/zinc/31/30/14/501313014.db2.gz FVHJZGWOLRZUEJ-BFQNTYOBSA-N 1 2 369.849 3.322 20 5 FGBDLO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451525228 501313015 /nfs/dbraw/zinc/31/30/15/501313015.db2.gz FVHJZGWOLRZUEJ-BFQNTYOBSA-N 1 2 369.849 3.322 20 5 FGBDLO CSc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000453577365 501352032 /nfs/dbraw/zinc/35/20/32/501352032.db2.gz OBAZWMIYIYDZIJ-UHFFFAOYSA-N 1 2 350.469 3.095 20 5 FGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332554 501479343 /nfs/dbraw/zinc/47/93/43/501479343.db2.gz HHPADNISXOYBNY-SNVBAGLBSA-N 1 2 364.789 3.187 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456398606 501517380 /nfs/dbraw/zinc/51/73/80/501517380.db2.gz CKGHITZKKUTPNH-KCJUWKMLSA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2[nH+]ccn21 ZINC000459111053 501595774 /nfs/dbraw/zinc/59/57/74/501595774.db2.gz LTMIVQLDEFONRB-BLLLJJGKSA-N 1 2 355.398 3.171 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611700929 506262663 /nfs/dbraw/zinc/26/26/63/506262663.db2.gz ZCRUYTKHQITLCL-UHFFFAOYSA-N 1 2 362.393 3.120 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459295324 501626487 /nfs/dbraw/zinc/62/64/87/501626487.db2.gz HTLUPJNNMNWZSD-UHFFFAOYSA-N 1 2 373.425 3.240 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000602699636 506266267 /nfs/dbraw/zinc/26/62/67/506266267.db2.gz JNIXVRMLLDCHDQ-AWEZNQCLSA-N 1 2 362.373 3.322 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000602699636 506266274 /nfs/dbraw/zinc/26/62/74/506266274.db2.gz JNIXVRMLLDCHDQ-AWEZNQCLSA-N 1 2 362.373 3.322 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000459499427 501664366 /nfs/dbraw/zinc/66/43/66/501664366.db2.gz ASXDTDWSERHNMO-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[C@H](CO)C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602699203 506266559 /nfs/dbraw/zinc/26/65/59/506266559.db2.gz NLMBVLHNJIGPAS-SECBINFHSA-N 1 2 363.277 3.259 20 5 FGBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000459598775 501684500 /nfs/dbraw/zinc/68/45/00/501684500.db2.gz WEBWWWRCQZCBEE-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000459598775 501684503 /nfs/dbraw/zinc/68/45/03/501684503.db2.gz WEBWWWRCQZCBEE-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000481304878 501738673 /nfs/dbraw/zinc/73/86/73/501738673.db2.gz DFKXBCFTZOQYLX-AWEZNQCLSA-N 1 2 366.377 3.402 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000470698140 501773010 /nfs/dbraw/zinc/77/30/10/501773010.db2.gz WHTGNJBCGGWYPT-KRWDZBQOSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000470698140 501773016 /nfs/dbraw/zinc/77/30/16/501773016.db2.gz WHTGNJBCGGWYPT-KRWDZBQOSA-N 1 2 361.348 3.476 20 5 FGBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485399109 501809536 /nfs/dbraw/zinc/80/95/36/501809536.db2.gz BGURNDJHUWRRQX-UHFFFAOYSA-N 1 2 353.357 3.240 20 5 FGBDLO COc1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000485475719 501832328 /nfs/dbraw/zinc/83/23/28/501832328.db2.gz OFPNXZIPLLKTNR-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000485475719 501832332 /nfs/dbraw/zinc/83/23/32/501832332.db2.gz OFPNXZIPLLKTNR-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1cc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1[N+](=O)[O-] ZINC000481706027 501856788 /nfs/dbraw/zinc/85/67/88/501856788.db2.gz HAWLVJFCMXPBOQ-AWEZNQCLSA-N 1 2 371.393 3.010 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000481783912 501882645 /nfs/dbraw/zinc/88/26/45/501882645.db2.gz VHGCQFOACSPZAH-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000467930410 501909206 /nfs/dbraw/zinc/90/92/06/501909206.db2.gz FGDSMBATIKUVMJ-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO CC[N@H+](CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000478285587 501931623 /nfs/dbraw/zinc/93/16/23/501931623.db2.gz BPQCAXHVFVMHEV-UHFFFAOYSA-N 1 2 358.398 3.105 20 5 FGBDLO CC[N@@H+](CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000478285587 501931627 /nfs/dbraw/zinc/93/16/27/501931627.db2.gz BPQCAXHVFVMHEV-UHFFFAOYSA-N 1 2 358.398 3.105 20 5 FGBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000464283720 501942828 /nfs/dbraw/zinc/94/28/28/501942828.db2.gz GUKOYZNLQMOKBW-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000461380248 502088234 /nfs/dbraw/zinc/08/82/34/502088234.db2.gz AUSDHJPGKMFBAP-GFCCVEGCSA-N 1 2 362.817 3.095 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000599056794 506299131 /nfs/dbraw/zinc/29/91/31/506299131.db2.gz OQGNWVHSAXQQDY-HNNXBMFYSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2n1C ZINC000476303055 502448031 /nfs/dbraw/zinc/44/80/31/502448031.db2.gz VCYZKCSWCZEDNH-UHFFFAOYSA-N 1 2 352.394 3.455 20 5 FGBDLO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000599086331 506316621 /nfs/dbraw/zinc/31/66/21/506316621.db2.gz JWVUCCLUBPBWLS-JZXOWHBKSA-N 1 2 353.382 3.170 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000476557984 502523417 /nfs/dbraw/zinc/52/34/17/502523417.db2.gz DDTHSSYGLWJETA-CHWSQXEVSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000476557984 502523422 /nfs/dbraw/zinc/52/34/22/502523422.db2.gz DDTHSSYGLWJETA-CHWSQXEVSA-N 1 2 356.426 3.424 20 5 FGBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000599100257 506322705 /nfs/dbraw/zinc/32/27/05/506322705.db2.gz KZLOFINBMSVXNG-NSHDSACASA-N 1 2 363.215 3.450 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488117055 502631867 /nfs/dbraw/zinc/63/18/67/502631867.db2.gz YGRMSAWHNYQDPG-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000488117055 502631869 /nfs/dbraw/zinc/63/18/69/502631869.db2.gz YGRMSAWHNYQDPG-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO CNc1c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000463000120 502654956 /nfs/dbraw/zinc/65/49/56/502654956.db2.gz CXTAURNNVMOQLS-CYBMUJFWSA-N 1 2 365.393 3.313 20 5 FGBDLO COc1ccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)cc1[N+](=O)[O-] ZINC000463040324 502671523 /nfs/dbraw/zinc/67/15/23/502671523.db2.gz VOHIJWDTRORSBF-CYBMUJFWSA-N 1 2 350.321 3.495 20 5 FGBDLO CCN(CC)C(=O)N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470172611 502693507 /nfs/dbraw/zinc/69/35/07/502693507.db2.gz ZFWPUDFPEKCQOK-SSZFMOIBSA-N 1 2 360.458 3.078 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000470176498 502696137 /nfs/dbraw/zinc/69/61/37/502696137.db2.gz WTTQNWPTICBXPU-LGMDPLHJSA-N 1 2 352.438 3.211 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)CC2 ZINC000495480646 502845544 /nfs/dbraw/zinc/84/55/44/502845544.db2.gz OWFDFTZKSLITMW-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(OCC(F)(F)F)c1)CC2 ZINC000495480646 502845546 /nfs/dbraw/zinc/84/55/46/502845546.db2.gz OWFDFTZKSLITMW-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO CCc1cc(NCCCOC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509525577 502926049 /nfs/dbraw/zinc/92/60/49/502926049.db2.gz IIXTYRUAUBRFKR-UHFFFAOYSA-N 1 2 352.341 3.077 20 5 FGBDLO Cc1ccccc1OCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656395 502992682 /nfs/dbraw/zinc/99/26/82/502992682.db2.gz SIOCRUAKASCVBC-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000489594832 502993948 /nfs/dbraw/zinc/99/39/48/502993948.db2.gz GREJSQGPDPCRAX-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000489594832 502993950 /nfs/dbraw/zinc/99/39/50/502993950.db2.gz GREJSQGPDPCRAX-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000506326367 503095140 /nfs/dbraw/zinc/09/51/40/503095140.db2.gz LYFVDUCSXHQKMJ-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000506326367 503095146 /nfs/dbraw/zinc/09/51/46/503095146.db2.gz LYFVDUCSXHQKMJ-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000501955877 503115592 /nfs/dbraw/zinc/11/55/92/503115592.db2.gz LMKOISLROPUZLP-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)c1 ZINC000510520607 503132341 /nfs/dbraw/zinc/13/23/41/503132341.db2.gz YSTOMINEZTYBCY-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000510604526 503153698 /nfs/dbraw/zinc/15/36/98/503153698.db2.gz ZYQFDPAOVYJPLO-LJQANCHMSA-N 1 2 362.376 3.399 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000510604526 503153700 /nfs/dbraw/zinc/15/37/00/503153700.db2.gz ZYQFDPAOVYJPLO-LJQANCHMSA-N 1 2 362.376 3.399 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490343553 503157843 /nfs/dbraw/zinc/15/78/43/503157843.db2.gz XYCQUINLVGVGMR-LLVKDONJSA-N 1 2 374.384 3.247 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490343553 503157848 /nfs/dbraw/zinc/15/78/48/503157848.db2.gz XYCQUINLVGVGMR-LLVKDONJSA-N 1 2 374.384 3.247 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1C1CC1 ZINC000502356367 503185876 /nfs/dbraw/zinc/18/58/76/503185876.db2.gz UBRJQMOJEJIMTE-UHFFFAOYSA-N 1 2 357.435 3.130 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1C1CC1 ZINC000502356367 503185880 /nfs/dbraw/zinc/18/58/80/503185880.db2.gz UBRJQMOJEJIMTE-UHFFFAOYSA-N 1 2 357.435 3.130 20 5 FGBDLO Cc1cc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491268935 503291600 /nfs/dbraw/zinc/29/16/00/503291600.db2.gz WUQOWGKDJKXDAN-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491268935 503291603 /nfs/dbraw/zinc/29/16/03/503291603.db2.gz WUQOWGKDJKXDAN-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593055894 506363450 /nfs/dbraw/zinc/36/34/50/506363450.db2.gz SYUMSOCHFCQWSZ-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593055894 506363456 /nfs/dbraw/zinc/36/34/56/506363456.db2.gz SYUMSOCHFCQWSZ-CYBMUJFWSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000502909471 503305554 /nfs/dbraw/zinc/30/55/54/503305554.db2.gz PJZXVAQAYCEBNE-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000502909471 503305558 /nfs/dbraw/zinc/30/55/58/503305558.db2.gz PJZXVAQAYCEBNE-UHFFFAOYSA-N 1 2 357.385 3.063 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000499242683 503363337 /nfs/dbraw/zinc/36/33/37/503363337.db2.gz CCAXMRWWKMDGBL-CQSZACIVSA-N 1 2 357.401 3.155 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000499242683 503363339 /nfs/dbraw/zinc/36/33/39/503363339.db2.gz CCAXMRWWKMDGBL-CQSZACIVSA-N 1 2 357.401 3.155 20 5 FGBDLO Cc1cc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492827643 503387025 /nfs/dbraw/zinc/38/70/25/503387025.db2.gz HQEHCLYEAQTLAB-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO O=[N+]([O-])c1cc2c(nc1NCc1ccc[nH+]c1N1CCCC1)CCCC2 ZINC000596356205 506370201 /nfs/dbraw/zinc/37/02/01/506370201.db2.gz HXQBMVLDYSIWTD-UHFFFAOYSA-N 1 2 353.426 3.476 20 5 FGBDLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494287707 503520144 /nfs/dbraw/zinc/52/01/44/503520144.db2.gz LSHSSSZIBGDFHJ-JQIJEIRASA-N 1 2 374.462 3.404 20 5 FGBDLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494287707 503520145 /nfs/dbraw/zinc/52/01/45/503520145.db2.gz LSHSSSZIBGDFHJ-JQIJEIRASA-N 1 2 374.462 3.404 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000516745217 503579231 /nfs/dbraw/zinc/57/92/31/503579231.db2.gz BXURNAXBLMZXDN-INIZCTEOSA-N 1 2 354.414 3.415 20 5 FGBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536647271 503658351 /nfs/dbraw/zinc/65/83/51/503658351.db2.gz DGZQXKOWZWZJLM-UHFFFAOYSA-N 1 2 362.382 3.248 20 5 FGBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536647271 503658356 /nfs/dbraw/zinc/65/83/56/503658356.db2.gz DGZQXKOWZWZJLM-UHFFFAOYSA-N 1 2 362.382 3.248 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540547501 503813585 /nfs/dbraw/zinc/81/35/85/503813585.db2.gz XIYRILYZAUSRIK-UHFFFAOYSA-N 1 2 350.334 3.313 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2[nH+]1 ZINC000543644844 503839463 /nfs/dbraw/zinc/83/94/63/503839463.db2.gz RGHUFMNCIUUNHR-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO CCc1ccc([C@H](CO)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000541055412 503988632 /nfs/dbraw/zinc/98/86/32/503988632.db2.gz YNFFHBYJRWVFDK-KRWDZBQOSA-N 1 2 368.393 3.030 20 5 FGBDLO COc1ccc(OCCOc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000541124793 504017384 /nfs/dbraw/zinc/01/73/84/504017384.db2.gz YTEVHSJOTYMMFR-UHFFFAOYSA-N 1 2 355.350 3.247 20 5 FGBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(Cl)cc1 ZINC000530626460 504030905 /nfs/dbraw/zinc/03/09/05/504030905.db2.gz JHNQKLBESKQQHV-UHFFFAOYSA-N 1 2 374.828 3.009 20 5 FGBDLO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(C)nn(C)c1C ZINC000544417985 504126505 /nfs/dbraw/zinc/12/65/05/504126505.db2.gz OGADJXWDPIYYBA-HNNXBMFYSA-N 1 2 370.413 3.236 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534521084 504164399 /nfs/dbraw/zinc/16/43/99/504164399.db2.gz OUKNQMFKSMRZSO-UHFFFAOYSA-N 1 2 371.418 3.361 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538388703 504230043 /nfs/dbraw/zinc/23/00/43/504230043.db2.gz VAEWABKWGCROCE-UHFFFAOYSA-N 1 2 373.372 3.235 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542118126 504369616 /nfs/dbraw/zinc/36/96/16/504369616.db2.gz MIGIXWRJOVBLPJ-UHFFFAOYSA-N 1 2 371.441 3.193 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266401 504388347 /nfs/dbraw/zinc/38/83/47/504388347.db2.gz RCOFXWLOMMPUKG-INIZCTEOSA-N 1 2 363.364 3.473 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266401 504388350 /nfs/dbraw/zinc/38/83/50/504388350.db2.gz RCOFXWLOMMPUKG-INIZCTEOSA-N 1 2 363.364 3.473 20 5 FGBDLO O=C(Nc1scnc1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535668365 504501053 /nfs/dbraw/zinc/50/10/53/504501053.db2.gz WEEVLNXQDPRXSE-UHFFFAOYSA-N 1 2 355.379 3.367 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@]1=O ZINC000521477356 504744988 /nfs/dbraw/zinc/74/49/88/504744988.db2.gz IHTLYMPBSVJQKI-SPSFWMDKSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@]1=O ZINC000521477356 504744990 /nfs/dbraw/zinc/74/49/90/504744990.db2.gz IHTLYMPBSVJQKI-SPSFWMDKSA-N 1 2 350.465 3.276 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000552975296 504797068 /nfs/dbraw/zinc/79/70/68/504797068.db2.gz ZEZBIONFZHSEEM-UHFFFAOYSA-N 1 2 366.406 3.456 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000559237362 504806063 /nfs/dbraw/zinc/80/60/63/504806063.db2.gz YDRIXDHGLJOZDB-UHFFFAOYSA-N 1 2 365.393 3.187 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000562457547 504826722 /nfs/dbraw/zinc/82/67/22/504826722.db2.gz HEQVYUYXWUJHCY-HXUWFJFHSA-N 1 2 372.421 3.364 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000562457547 504826725 /nfs/dbraw/zinc/82/67/25/504826725.db2.gz HEQVYUYXWUJHCY-HXUWFJFHSA-N 1 2 372.421 3.364 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000549920945 504934637 /nfs/dbraw/zinc/93/46/37/504934637.db2.gz BFJVOCSXDRLLNT-OAHLLOKOSA-N 1 2 352.394 3.315 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549999140 504949398 /nfs/dbraw/zinc/94/93/98/504949398.db2.gz SEWNCQVKPNCFQA-INIZCTEOSA-N 1 2 374.359 3.384 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549999140 504949402 /nfs/dbraw/zinc/94/94/02/504949402.db2.gz SEWNCQVKPNCFQA-INIZCTEOSA-N 1 2 374.359 3.384 20 5 FGBDLO Cc1cccn2cc(CC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000553726274 504992613 /nfs/dbraw/zinc/99/26/13/504992613.db2.gz DOKQZJQBFNOGGS-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO COc1ccc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000556885012 505006096 /nfs/dbraw/zinc/00/60/96/505006096.db2.gz GAMJSLMDJNWFCH-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000556898118 505010345 /nfs/dbraw/zinc/01/03/45/505010345.db2.gz VAGFYCHYKZXSLK-UHFFFAOYSA-N 1 2 355.438 3.466 20 5 FGBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000556898118 505010350 /nfs/dbraw/zinc/01/03/50/505010350.db2.gz VAGFYCHYKZXSLK-UHFFFAOYSA-N 1 2 355.438 3.466 20 5 FGBDLO CC(=O)c1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000550345093 505027092 /nfs/dbraw/zinc/02/70/92/505027092.db2.gz VEVBDRHVFHIABS-LJQANCHMSA-N 1 2 369.421 3.283 20 5 FGBDLO Cc1cc(N[C@H](CO)c2ccccc2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000563663642 505204950 /nfs/dbraw/zinc/20/49/50/505204950.db2.gz QHHCFPHFJIQDMW-GOSISDBHSA-N 1 2 364.405 3.236 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552129291 505410069 /nfs/dbraw/zinc/41/00/69/505410069.db2.gz IQRREYPLCFSSEV-NSHDSACASA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552129291 505410072 /nfs/dbraw/zinc/41/00/72/505410072.db2.gz IQRREYPLCFSSEV-NSHDSACASA-N 1 2 366.311 3.478 20 5 FGBDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792934 505516254 /nfs/dbraw/zinc/51/62/54/505516254.db2.gz XHIXITHCTAWTOU-MLGOLLRUSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000555792934 505516258 /nfs/dbraw/zinc/51/62/58/505516258.db2.gz XHIXITHCTAWTOU-MLGOLLRUSA-N 1 2 369.849 3.322 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118778 506405252 /nfs/dbraw/zinc/40/52/52/506405252.db2.gz RUERDWFDICCKAZ-YMTOWFKASA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118778 506405257 /nfs/dbraw/zinc/40/52/57/506405257.db2.gz RUERDWFDICCKAZ-YMTOWFKASA-N 1 2 359.760 3.306 20 5 FGBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2[nH+]ccn2c1 ZINC000588997613 506407176 /nfs/dbraw/zinc/40/71/76/506407176.db2.gz OKTNFQIYEYPHQG-UHFFFAOYSA-N 1 2 364.365 3.088 20 5 FGBDLO CC[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612077623 506424305 /nfs/dbraw/zinc/42/43/05/506424305.db2.gz DOANZSHKPWTHSE-LJQANCHMSA-N 1 2 374.462 3.378 20 5 FGBDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612077623 506424308 /nfs/dbraw/zinc/42/43/08/506424308.db2.gz DOANZSHKPWTHSE-LJQANCHMSA-N 1 2 374.462 3.378 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000599551249 506495677 /nfs/dbraw/zinc/49/56/77/506495677.db2.gz JOCVAUAKXJABHI-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC(F)(F)CC1 ZINC000599551249 506495682 /nfs/dbraw/zinc/49/56/82/506495682.db2.gz JOCVAUAKXJABHI-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000596651272 506511212 /nfs/dbraw/zinc/51/12/12/506511212.db2.gz LOZJTWPNIOTKEY-OALUTQOASA-N 1 2 363.421 3.277 20 5 FGBDLO CCOc1cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599666164 506565682 /nfs/dbraw/zinc/56/56/82/506565682.db2.gz LMJNAYHPEXYYKO-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599666164 506565684 /nfs/dbraw/zinc/56/56/84/506565684.db2.gz LMJNAYHPEXYYKO-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000603682794 506593722 /nfs/dbraw/zinc/59/37/22/506593722.db2.gz ZJBHWDVSVYIGIA-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596843112 506632028 /nfs/dbraw/zinc/63/20/28/506632028.db2.gz PJJUBOMEVFRUSD-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000583292518 506699404 /nfs/dbraw/zinc/69/94/04/506699404.db2.gz NUSAGZPABHQXMH-OAHLLOKOSA-N 1 2 364.405 3.260 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000604107947 506715546 /nfs/dbraw/zinc/71/55/46/506715546.db2.gz AYCZXYSACOCIIM-CQSZACIVSA-N 1 2 350.378 3.331 20 5 FGBDLO C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000604130475 506724924 /nfs/dbraw/zinc/72/49/24/506724924.db2.gz JXVRSQWVWHLPRN-NSHDSACASA-N 1 2 373.800 3.456 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOc2ccccc2[C@@H]1C ZINC000609145432 506790399 /nfs/dbraw/zinc/79/03/99/506790399.db2.gz CMIOEEOCIVVUOC-AWEZNQCLSA-N 1 2 355.394 3.297 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000609145432 506790406 /nfs/dbraw/zinc/79/04/06/506790406.db2.gz CMIOEEOCIVVUOC-AWEZNQCLSA-N 1 2 355.394 3.297 20 5 FGBDLO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(F)cc1OC ZINC000600155960 506811271 /nfs/dbraw/zinc/81/12/71/506811271.db2.gz LURIWZDKNVXMBW-UHFFFAOYSA-N 1 2 374.372 3.307 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590629354 506888589 /nfs/dbraw/zinc/88/85/89/506888589.db2.gz PZWNBOXGIABPEY-LBPRGKRZSA-N 1 2 368.315 3.287 20 5 FGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000609600052 506939344 /nfs/dbraw/zinc/93/93/44/506939344.db2.gz OZQISBGXQDRYHT-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609800442 507005856 /nfs/dbraw/zinc/00/58/56/507005856.db2.gz HOAQRZAWQBGWLG-GOSISDBHSA-N 1 2 371.462 3.348 20 5 FGBDLO CN(C(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609800442 507005864 /nfs/dbraw/zinc/00/58/64/507005864.db2.gz HOAQRZAWQBGWLG-GOSISDBHSA-N 1 2 371.462 3.348 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000600593274 507022757 /nfs/dbraw/zinc/02/27/57/507022757.db2.gz VQYQVKYWBJVFEW-SFHVURJKSA-N 1 2 360.385 3.040 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000610096137 507097850 /nfs/dbraw/zinc/09/78/50/507097850.db2.gz PBGNOCKGRGSXDA-UHFFFAOYSA-N 1 2 353.382 3.387 20 5 FGBDLO Cc1c(C[N@H+](CC(=O)OC(C)(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000584056537 507126693 /nfs/dbraw/zinc/12/66/93/507126693.db2.gz UHHYJGDVQWKXHF-UHFFFAOYSA-N 1 2 364.442 3.226 20 5 FGBDLO Cc1c(C[N@@H+](CC(=O)OC(C)(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000584056537 507126697 /nfs/dbraw/zinc/12/66/97/507126697.db2.gz UHHYJGDVQWKXHF-UHFFFAOYSA-N 1 2 364.442 3.226 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000594511488 507163135 /nfs/dbraw/zinc/16/31/35/507163135.db2.gz OBBQOOSBYNQCMM-LXZKKBNFSA-N 1 2 371.441 3.065 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCC2 ZINC000594510927 507163320 /nfs/dbraw/zinc/16/33/20/507163320.db2.gz MNLNQYQPDIHQAV-HZPDHXFCSA-N 1 2 357.414 3.122 20 5 FGBDLO Cc1cnc(OC2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000594593132 507200909 /nfs/dbraw/zinc/20/09/09/507200909.db2.gz YOMSWBQZOGBOSX-UHFFFAOYSA-N 1 2 365.393 3.289 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000610434923 507237334 /nfs/dbraw/zinc/23/73/34/507237334.db2.gz QNRPQUBEWADZQP-UHFFFAOYSA-N 1 2 366.421 3.187 20 5 FGBDLO Cn1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccccc2)n1 ZINC000584382645 507313583 /nfs/dbraw/zinc/31/35/83/507313583.db2.gz FTAODVNLDMTKAO-UHFFFAOYSA-N 1 2 364.405 3.390 20 5 FGBDLO Cn1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccccc2)n1 ZINC000584382645 507313590 /nfs/dbraw/zinc/31/35/90/507313590.db2.gz FTAODVNLDMTKAO-UHFFFAOYSA-N 1 2 364.405 3.390 20 5 FGBDLO Cc1noc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595485099 507523941 /nfs/dbraw/zinc/52/39/41/507523941.db2.gz RLXAZKZSTAXSDW-UHFFFAOYSA-N 1 2 359.304 3.464 20 5 FGBDLO Cc1noc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595485099 507523945 /nfs/dbraw/zinc/52/39/45/507523945.db2.gz RLXAZKZSTAXSDW-UHFFFAOYSA-N 1 2 359.304 3.464 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177100 507548528 /nfs/dbraw/zinc/54/85/28/507548528.db2.gz QDCCXMXHNGOPLB-BDAKNGLRSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000611177100 507548536 /nfs/dbraw/zinc/54/85/36/507548536.db2.gz QDCCXMXHNGOPLB-BDAKNGLRSA-N 1 2 365.739 3.459 20 5 FGBDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592446657 507659666 /nfs/dbraw/zinc/65/96/66/507659666.db2.gz LKBPMSQPYUROQK-QGZVFWFLSA-N 1 2 364.467 3.045 20 5 FGBDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592446657 507659671 /nfs/dbraw/zinc/65/96/71/507659671.db2.gz LKBPMSQPYUROQK-QGZVFWFLSA-N 1 2 364.467 3.045 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000592532398 507698407 /nfs/dbraw/zinc/69/84/07/507698407.db2.gz NKXRXDSHWSDVEC-CYBMUJFWSA-N 1 2 350.415 3.146 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000592532398 507698412 /nfs/dbraw/zinc/69/84/12/507698412.db2.gz NKXRXDSHWSDVEC-CYBMUJFWSA-N 1 2 350.415 3.146 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000602504315 507730068 /nfs/dbraw/zinc/73/00/68/507730068.db2.gz PAINXHKYAVLPGV-UHFFFAOYSA-N 1 2 369.347 3.221 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1[N+](=O)[O-] ZINC000602564480 507749431 /nfs/dbraw/zinc/74/94/31/507749431.db2.gz SQKOMHNVHMPMOU-ZDUSSCGKSA-N 1 2 374.441 3.443 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000301732737 713782393 /nfs/dbraw/zinc/78/23/93/713782393.db2.gz GNNBNWKQYGKQLO-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374340251 713914806 /nfs/dbraw/zinc/91/48/06/713914806.db2.gz JLQOJMLYLCYQGP-LQPUYASZSA-N 1 2 360.801 3.011 20 5 FGBDLO Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000618468097 714750645 /nfs/dbraw/zinc/75/06/45/714750645.db2.gz ZWJLOSAFDGTECA-UHFFFAOYSA-N 1 2 356.201 3.105 20 5 FGBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000755011891 722949242 /nfs/dbraw/zinc/94/92/42/722949242.db2.gz MOMCNQCUUCZDOH-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748039677 722672598 /nfs/dbraw/zinc/67/25/98/722672598.db2.gz SOCDXEPDBBRCMB-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748039677 722672601 /nfs/dbraw/zinc/67/26/01/722672601.db2.gz SOCDXEPDBBRCMB-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000749287182 722723324 /nfs/dbraw/zinc/72/33/24/722723324.db2.gz DQSDAQNARULQHF-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000749287182 722723326 /nfs/dbraw/zinc/72/33/26/722723326.db2.gz DQSDAQNARULQHF-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](CC)CN1C(C)=O ZINC000761514443 723161696 /nfs/dbraw/zinc/16/16/96/723161696.db2.gz JIQGHPGLDYQUQF-HUUCEWRRSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](CC)CN1C(C)=O ZINC000761514443 723161699 /nfs/dbraw/zinc/16/16/99/723161699.db2.gz JIQGHPGLDYQUQF-HUUCEWRRSA-N 1 2 353.850 3.470 20 5 FGBDLO CN(C)c1cc(COc2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000762478367 723247064 /nfs/dbraw/zinc/24/70/64/723247064.db2.gz GKIPZSMZLQNRMA-UHFFFAOYSA-N 1 2 352.188 3.397 20 5 FGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000792472480 723338974 /nfs/dbraw/zinc/33/89/74/723338974.db2.gz KMGHAADKIDVOPW-UHFFFAOYSA-N 1 2 368.187 3.109 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796549613 723643215 /nfs/dbraw/zinc/64/32/15/723643215.db2.gz CAUWQGQFMFRIDZ-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796549613 723643217 /nfs/dbraw/zinc/64/32/17/723643217.db2.gz CAUWQGQFMFRIDZ-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796707576 723651185 /nfs/dbraw/zinc/65/11/85/723651185.db2.gz DXFUKRTYFKOSDS-CQSZACIVSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796707576 723651188 /nfs/dbraw/zinc/65/11/88/723651188.db2.gz DXFUKRTYFKOSDS-CQSZACIVSA-N 1 2 353.394 3.223 20 5 FGBDLO CCn1cc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769427772 723685419 /nfs/dbraw/zinc/68/54/19/723685419.db2.gz PBOAJRGWMYHTDM-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO CCn1cc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769427772 723685420 /nfs/dbraw/zinc/68/54/20/723685420.db2.gz PBOAJRGWMYHTDM-UHFFFAOYSA-N 1 2 353.220 3.206 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000776827624 724187010 /nfs/dbraw/zinc/18/70/10/724187010.db2.gz AOVFQPZEDJBLQY-UHFFFAOYSA-N 1 2 357.435 3.409 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000776827624 724187011 /nfs/dbraw/zinc/18/70/11/724187011.db2.gz AOVFQPZEDJBLQY-UHFFFAOYSA-N 1 2 357.435 3.409 20 5 FGBDLO C[C@]12CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(Cl)Cl ZINC000789487638 725131575 /nfs/dbraw/zinc/13/15/75/725131575.db2.gz PCQKUPNVJRPEEO-KGLIPLIRSA-N 1 2 355.225 3.418 20 5 FGBDLO C[C@]12CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(Cl)Cl ZINC000789487638 725131578 /nfs/dbraw/zinc/13/15/78/725131578.db2.gz PCQKUPNVJRPEEO-KGLIPLIRSA-N 1 2 355.225 3.418 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000810037454 725283753 /nfs/dbraw/zinc/28/37/53/725283753.db2.gz OYYTUFQCERULJK-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000810037454 725283754 /nfs/dbraw/zinc/28/37/54/725283754.db2.gz OYYTUFQCERULJK-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000810040678 725284247 /nfs/dbraw/zinc/28/42/47/725284247.db2.gz VBBFLFVDWSAZQS-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000810040678 725284249 /nfs/dbraw/zinc/28/42/49/725284249.db2.gz VBBFLFVDWSAZQS-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000825808298 729395951 /nfs/dbraw/zinc/39/59/51/729395951.db2.gz UEJDWIKZBKSVOX-UHFFFAOYSA-N 1 2 354.401 3.034 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000825808298 729395952 /nfs/dbraw/zinc/39/59/52/729395952.db2.gz UEJDWIKZBKSVOX-UHFFFAOYSA-N 1 2 354.401 3.034 20 5 FGBDLO Cn1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1Cl ZINC000883288008 737547653 /nfs/dbraw/zinc/54/76/53/737547653.db2.gz OHAVVLONDJGTIG-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851803802 731500434 /nfs/dbraw/zinc/50/04/34/731500434.db2.gz JSMVCCULFCJSDE-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851803802 731500440 /nfs/dbraw/zinc/50/04/40/731500440.db2.gz JSMVCCULFCJSDE-CQSZACIVSA-N 1 2 353.394 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nccn3CC(F)F)C2)cc1 ZINC000878679157 736907127 /nfs/dbraw/zinc/90/71/27/736907127.db2.gz UKESYIDWXMAMKN-AWEZNQCLSA-N 1 2 350.369 3.436 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nccn3CC(F)F)C2)cc1 ZINC000878679157 736907129 /nfs/dbraw/zinc/90/71/29/736907129.db2.gz UKESYIDWXMAMKN-AWEZNQCLSA-N 1 2 350.369 3.436 20 5 FGBDLO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892706567 740035115 /nfs/dbraw/zinc/03/51/15/740035115.db2.gz WBUAGIBWOZTAQL-UHFFFAOYSA-N 1 2 352.774 3.261 20 5 FGBDLO O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921142528 758655533 /nfs/dbraw/zinc/65/55/33/758655533.db2.gz CFJYFZACLTYANN-UHFFFAOYSA-N 1 2 353.407 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000929853275 760470500 /nfs/dbraw/zinc/47/05/00/760470500.db2.gz ICSPRLXQOKGLEZ-KGLIPLIRSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000929853275 760470506 /nfs/dbraw/zinc/47/05/06/760470506.db2.gz ICSPRLXQOKGLEZ-KGLIPLIRSA-N 1 2 373.272 3.064 20 5 FGBDLO CCn1cc([C@H](C)[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000930655659 760664531 /nfs/dbraw/zinc/66/45/31/760664531.db2.gz JFSKDPXSOJWLCX-JTQLQIEISA-N 1 2 353.220 3.425 20 5 FGBDLO CCn1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000930658352 760665794 /nfs/dbraw/zinc/66/57/94/760665794.db2.gz YSTUYBJNPXVFGC-SNVBAGLBSA-N 1 2 353.220 3.425 20 5 FGBDLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000933564419 761427390 /nfs/dbraw/zinc/42/73/90/761427390.db2.gz GSIHYGFGDUDOLD-NSHDSACASA-N 1 2 352.341 3.019 20 5 FGBDLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000933564419 761427393 /nfs/dbraw/zinc/42/73/93/761427393.db2.gz GSIHYGFGDUDOLD-NSHDSACASA-N 1 2 352.341 3.019 20 5 FGBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000116304783 209344483 /nfs/dbraw/zinc/34/44/83/209344483.db2.gz QSOYILNGWITGNL-OAHLLOKOSA-N 1 2 355.398 3.260 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000028834005 493802923 /nfs/dbraw/zinc/80/29/23/493802923.db2.gz ZNCVSYRNGRYYGT-UHFFFAOYSA-N 1 2 352.375 3.387 20 5 FGBDLO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029750 493875503 /nfs/dbraw/zinc/87/55/03/493875503.db2.gz QSEYUBJRGLCFHV-SFHVURJKSA-N 1 2 369.421 3.122 20 5 FGBDLO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029750 493875506 /nfs/dbraw/zinc/87/55/06/493875506.db2.gz QSEYUBJRGLCFHV-SFHVURJKSA-N 1 2 369.421 3.122 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081581808 493922958 /nfs/dbraw/zinc/92/29/58/493922958.db2.gz AOPHDFOCZQNGDA-DJJJIMSYSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081581808 493922961 /nfs/dbraw/zinc/92/29/61/493922961.db2.gz AOPHDFOCZQNGDA-DJJJIMSYSA-N 1 2 355.394 3.235 20 5 FGBDLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000051383705 493966704 /nfs/dbraw/zinc/96/67/04/493966704.db2.gz BYDXYFJDEQFXOF-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000051383705 493966707 /nfs/dbraw/zinc/96/67/07/493966707.db2.gz BYDXYFJDEQFXOF-UHFFFAOYSA-N 1 2 353.422 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COCc2ccccc2F)cc1 ZINC000051451884 493970171 /nfs/dbraw/zinc/97/01/71/493970171.db2.gz ABXXZAWJWNIZQZ-QGZVFWFLSA-N 1 2 371.368 3.175 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccncc1 ZINC000032141359 493975876 /nfs/dbraw/zinc/97/58/76/493975876.db2.gz BWSANUAKZVIMMU-MRXNPFEDSA-N 1 2 363.377 3.153 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000052832615 494067534 /nfs/dbraw/zinc/06/75/34/494067534.db2.gz NIPOGTIXYASPHZ-UHFFFAOYSA-N 1 2 372.425 3.238 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000052832615 494067538 /nfs/dbraw/zinc/06/75/38/494067538.db2.gz NIPOGTIXYASPHZ-UHFFFAOYSA-N 1 2 372.425 3.238 20 5 FGBDLO CCc1cc(NC2CCN(C(C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053552682 494146860 /nfs/dbraw/zinc/14/68/60/494146860.db2.gz FSEGGOIPLWOXKI-UHFFFAOYSA-N 1 2 369.425 3.037 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000577326430 505706173 /nfs/dbraw/zinc/70/61/73/505706173.db2.gz ONPJAFVCWNYCRN-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341655 494289023 /nfs/dbraw/zinc/28/90/23/494289023.db2.gz ZWOIXQUEERBEIE-UHFFFAOYSA-N 1 2 359.773 3.260 20 5 FGBDLO COc1cccc([C@H](Nc2ncc(C)cc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000078627630 494332604 /nfs/dbraw/zinc/33/26/04/494332604.db2.gz ZKKGCEGFBXKJIR-INIZCTEOSA-N 1 2 353.382 3.242 20 5 FGBDLO COc1ccccc1[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000078627637 494333015 /nfs/dbraw/zinc/33/30/15/494333015.db2.gz STSIHHZYAKMDPX-INIZCTEOSA-N 1 2 353.382 3.242 20 5 FGBDLO Cc1cnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000078626129 494333248 /nfs/dbraw/zinc/33/32/48/494333248.db2.gz RMCGBMONYFVKMB-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO Cc1ccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000078632719 494333844 /nfs/dbraw/zinc/33/38/44/494333844.db2.gz RSHAANZPRQQVKZ-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000015293882 494346329 /nfs/dbraw/zinc/34/63/29/494346329.db2.gz GGMXWFIAMPUDCE-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000015293882 494346332 /nfs/dbraw/zinc/34/63/32/494346332.db2.gz GGMXWFIAMPUDCE-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000066854702 494427493 /nfs/dbraw/zinc/42/74/93/494427493.db2.gz JNMKRIPDRYFFAB-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000066864748 494428443 /nfs/dbraw/zinc/42/84/43/494428443.db2.gz WEJABWWPAZOHHS-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO Cc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000021870189 494508752 /nfs/dbraw/zinc/50/87/52/494508752.db2.gz GHLLCJIFCOGHSF-UXBLZVDNSA-N 1 2 365.433 3.374 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599252 494540253 /nfs/dbraw/zinc/54/02/53/494540253.db2.gz UFPOQNRORJOQDS-CQSZACIVSA-N 1 2 359.401 3.385 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599252 494540256 /nfs/dbraw/zinc/54/02/56/494540256.db2.gz UFPOQNRORJOQDS-CQSZACIVSA-N 1 2 359.401 3.385 20 5 FGBDLO Cc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000074740449 494588034 /nfs/dbraw/zinc/58/80/34/494588034.db2.gz RKWZDRWUOLXFSC-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000074740447 494588824 /nfs/dbraw/zinc/58/88/24/494588824.db2.gz RKWZDRWUOLXFSC-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)c[nH+]2)CC1 ZINC000107728098 494591322 /nfs/dbraw/zinc/59/13/22/494591322.db2.gz RJUYIYSMXQJYLO-UHFFFAOYSA-N 1 2 360.439 3.218 20 5 FGBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815144 494688402 /nfs/dbraw/zinc/68/84/02/494688402.db2.gz LDUCRCXDLNMTEM-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815144 494688406 /nfs/dbraw/zinc/68/84/06/494688406.db2.gz LDUCRCXDLNMTEM-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108397531 494698522 /nfs/dbraw/zinc/69/85/22/494698522.db2.gz JBPZHAAUBCTIGX-AWEZNQCLSA-N 1 2 369.849 3.468 20 5 FGBDLO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000108397531 494698533 /nfs/dbraw/zinc/69/85/33/494698533.db2.gz JBPZHAAUBCTIGX-AWEZNQCLSA-N 1 2 369.849 3.468 20 5 FGBDLO Cc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000116208065 494731161 /nfs/dbraw/zinc/73/11/61/494731161.db2.gz FURIFYJZQRVIKB-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO CCc1nn(C)c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000092827754 494767461 /nfs/dbraw/zinc/76/74/61/494767461.db2.gz YDGKXUUYHJHZEN-UHFFFAOYSA-N 1 2 354.414 3.151 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc(F)ccc2C1 ZINC000092096537 494787150 /nfs/dbraw/zinc/78/71/50/494787150.db2.gz GSWBZFLUCZKEQF-UHFFFAOYSA-N 1 2 366.352 3.118 20 5 FGBDLO Cc1cccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000026214609 494809401 /nfs/dbraw/zinc/80/94/01/494809401.db2.gz YADCULLJGHAVRJ-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cn1 ZINC000026486692 494828610 /nfs/dbraw/zinc/82/86/10/494828610.db2.gz KWHXUSIZAXYRGW-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000093911330 494933917 /nfs/dbraw/zinc/93/39/17/494933917.db2.gz AABSHNYXDLCAJN-UHFFFAOYSA-N 1 2 368.437 3.445 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218158 495263833 /nfs/dbraw/zinc/26/38/33/495263833.db2.gz LROPRAIZLDVCBR-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135218158 495263836 /nfs/dbraw/zinc/26/38/36/495263836.db2.gz LROPRAIZLDVCBR-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000130892149 495462251 /nfs/dbraw/zinc/46/22/51/495462251.db2.gz CPOYJNMHJOYNPO-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000130892149 495462256 /nfs/dbraw/zinc/46/22/56/495462256.db2.gz CPOYJNMHJOYNPO-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccnc1 ZINC000125758587 495493914 /nfs/dbraw/zinc/49/39/14/495493914.db2.gz WVUDLRHPILQHHD-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccnc1 ZINC000125758587 495493916 /nfs/dbraw/zinc/49/39/16/495493916.db2.gz WVUDLRHPILQHHD-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131177670 495502159 /nfs/dbraw/zinc/50/21/59/495502159.db2.gz XXZMMGHRLDCGGV-KRWDZBQOSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131177670 495502163 /nfs/dbraw/zinc/50/21/63/495502163.db2.gz XXZMMGHRLDCGGV-KRWDZBQOSA-N 1 2 373.409 3.418 20 5 FGBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000158983561 495629953 /nfs/dbraw/zinc/62/99/53/495629953.db2.gz CMWZENJXAAPLNF-UHFFFAOYSA-N 1 2 366.377 3.093 20 5 FGBDLO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000159038577 495642815 /nfs/dbraw/zinc/64/28/15/495642815.db2.gz ZIIPTVFOTHWFCW-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000159038577 495642822 /nfs/dbraw/zinc/64/28/22/495642822.db2.gz ZIIPTVFOTHWFCW-GOSISDBHSA-N 1 2 373.409 3.207 20 5 FGBDLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182748290 495687168 /nfs/dbraw/zinc/68/71/68/495687168.db2.gz BEPNQBPBFPUBMH-ZDUSSCGKSA-N 1 2 372.400 3.018 20 5 FGBDLO Cc1cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000182763344 495693902 /nfs/dbraw/zinc/69/39/02/495693902.db2.gz UFHLXXVCSGICAX-CQSZACIVSA-N 1 2 357.414 3.123 20 5 FGBDLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000176861754 495816476 /nfs/dbraw/zinc/81/64/76/495816476.db2.gz IIEKCBSYHZWRIV-UHFFFAOYSA-N 1 2 370.340 3.205 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000186428394 495995432 /nfs/dbraw/zinc/99/54/32/495995432.db2.gz QNQQJWIYJGWOCT-CQSZACIVSA-N 1 2 367.409 3.451 20 5 FGBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000161147776 496113567 /nfs/dbraw/zinc/11/35/67/496113567.db2.gz IJWQKLWXDWUPHZ-CMPLNLGQSA-N 1 2 364.427 3.128 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156034663 496139271 /nfs/dbraw/zinc/13/92/71/496139271.db2.gz VFJRHYCJEMHDFJ-UHFFFAOYSA-N 1 2 371.412 3.011 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177754184 496183776 /nfs/dbraw/zinc/18/37/76/496183776.db2.gz LODGTTKDQLHCII-UHFFFAOYSA-N 1 2 367.409 3.363 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000184581877 496449461 /nfs/dbraw/zinc/44/94/61/496449461.db2.gz LCISSDUHWXEIBC-GOSISDBHSA-N 1 2 358.348 3.486 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000184795713 496535014 /nfs/dbraw/zinc/53/50/14/496535014.db2.gz INLPUBIVOBWTER-DOMZBBRYSA-N 1 2 361.398 3.055 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000184806636 496539966 /nfs/dbraw/zinc/53/99/66/496539966.db2.gz KAZFMGOIMQXGFX-MLGOLLRUSA-N 1 2 361.398 3.055 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000184824717 496547085 /nfs/dbraw/zinc/54/70/85/496547085.db2.gz CQBGYSWIGCEHDP-MRXNPFEDSA-N 1 2 358.442 3.332 20 5 FGBDLO CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000158012097 496607534 /nfs/dbraw/zinc/60/75/34/496607534.db2.gz WHNSQHKLFOHPLD-GOSISDBHSA-N 1 2 371.462 3.348 20 5 FGBDLO C[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000187908024 496615671 /nfs/dbraw/zinc/61/56/71/496615671.db2.gz ILBAQAKZWNYPOS-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO C[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000187908024 496615674 /nfs/dbraw/zinc/61/56/74/496615674.db2.gz ILBAQAKZWNYPOS-NSHDSACASA-N 1 2 370.247 3.418 20 5 FGBDLO COc1cc(C[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000185086038 496653004 /nfs/dbraw/zinc/65/30/04/496653004.db2.gz XBPFMFSVTIANHY-LLVKDONJSA-N 1 2 372.324 3.011 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000191399646 496750445 /nfs/dbraw/zinc/75/04/45/496750445.db2.gz UDGSXWCDIXPKKL-HNNXBMFYSA-N 1 2 371.441 3.432 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000273374562 496787695 /nfs/dbraw/zinc/78/76/95/496787695.db2.gz DSHAXEUTVGTPAF-QSOAKEGCSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000273374562 496787700 /nfs/dbraw/zinc/78/77/00/496787700.db2.gz DSHAXEUTVGTPAF-QSOAKEGCSA-N 1 2 358.398 3.320 20 5 FGBDLO COc1ccc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)cc1[N+](=O)[O-] ZINC000195057237 496807190 /nfs/dbraw/zinc/80/71/90/496807190.db2.gz FFYQXUFEIOHHJH-UHFFFAOYSA-N 1 2 366.377 3.470 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000264149725 496823470 /nfs/dbraw/zinc/82/34/70/496823470.db2.gz ABQOAVYKZGAPEG-ZDUSSCGKSA-N 1 2 373.384 3.379 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000264149723 496823763 /nfs/dbraw/zinc/82/37/63/496823763.db2.gz ABQOAVYKZGAPEG-CYBMUJFWSA-N 1 2 373.384 3.379 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264238628 496848489 /nfs/dbraw/zinc/84/84/89/496848489.db2.gz MVSDENOAMJDIFN-LBPRGKRZSA-N 1 2 361.423 3.302 20 5 FGBDLO Cc1ccc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000264309288 496868569 /nfs/dbraw/zinc/86/85/69/496868569.db2.gz YBLQWCFRNJGURV-UHFFFAOYSA-N 1 2 371.319 3.326 20 5 FGBDLO C[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)c1nnnn1C ZINC000188679522 496875067 /nfs/dbraw/zinc/87/50/67/496875067.db2.gz BSXMWENXYKTGCO-NSHDSACASA-N 1 2 361.434 3.413 20 5 FGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192490994 497130667 /nfs/dbraw/zinc/13/06/67/497130667.db2.gz ZDSLABBVRFRTKM-LSDHHAIUSA-N 1 2 362.455 3.143 20 5 FGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192490994 497130673 /nfs/dbraw/zinc/13/06/73/497130673.db2.gz ZDSLABBVRFRTKM-LSDHHAIUSA-N 1 2 362.455 3.143 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000192488529 497130754 /nfs/dbraw/zinc/13/07/54/497130754.db2.gz SIARNOJMHNBSAD-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634490 497170959 /nfs/dbraw/zinc/17/09/59/497170959.db2.gz NFNQHYMJTRGSEK-GJZGRUSLSA-N 1 2 353.422 3.393 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634490 497170963 /nfs/dbraw/zinc/17/09/63/497170963.db2.gz NFNQHYMJTRGSEK-GJZGRUSLSA-N 1 2 353.422 3.393 20 5 FGBDLO Cc1cc(N2CCOC[C@H]2C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581008896 505889563 /nfs/dbraw/zinc/88/95/63/505889563.db2.gz HHTPPCGRLQZYTP-KRWDZBQOSA-N 1 2 354.410 3.366 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000249746610 497241601 /nfs/dbraw/zinc/24/16/01/497241601.db2.gz ZYJJBRIYCDOUAT-TZMCWYRMSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000249746610 497241606 /nfs/dbraw/zinc/24/16/06/497241606.db2.gz ZYJJBRIYCDOUAT-TZMCWYRMSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245412438 497393330 /nfs/dbraw/zinc/39/33/30/497393330.db2.gz AOPHDFOCZQNGDA-ORAYPTAESA-N 1 2 355.394 3.235 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245412438 497393334 /nfs/dbraw/zinc/39/33/34/497393334.db2.gz AOPHDFOCZQNGDA-ORAYPTAESA-N 1 2 355.394 3.235 20 5 FGBDLO Cc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193692170 497448369 /nfs/dbraw/zinc/44/83/69/497448369.db2.gz UNOSTGIYJFPGFK-KRWDZBQOSA-N 1 2 353.378 3.207 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000279527792 497462905 /nfs/dbraw/zinc/46/29/05/497462905.db2.gz OYIRYELWINKQHT-CHWSQXEVSA-N 1 2 352.398 3.495 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267007268 497468104 /nfs/dbraw/zinc/46/81/04/497468104.db2.gz GASOCQBCOZMCKI-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267007268 497468109 /nfs/dbraw/zinc/46/81/09/497468109.db2.gz GASOCQBCOZMCKI-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000193794213 497484201 /nfs/dbraw/zinc/48/42/01/497484201.db2.gz SFHRNZQAUJTHKE-MRXNPFEDSA-N 1 2 361.354 3.277 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000193794213 497484204 /nfs/dbraw/zinc/48/42/04/497484204.db2.gz SFHRNZQAUJTHKE-MRXNPFEDSA-N 1 2 361.354 3.277 20 5 FGBDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccn12 ZINC000578336333 505917582 /nfs/dbraw/zinc/91/75/82/505917582.db2.gz CHSBGCAFJAYDME-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000267982270 497651722 /nfs/dbraw/zinc/65/17/22/497651722.db2.gz GIIMQTZVRCKXGH-CQSZACIVSA-N 1 2 357.414 3.207 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272526104 497652062 /nfs/dbraw/zinc/65/20/62/497652062.db2.gz METVJGVFJOGHCC-GFCCVEGCSA-N 1 2 360.361 3.260 20 5 FGBDLO O=C(N1CCCC[C@H]1c1[nH]cc[nH+]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272585232 497670675 /nfs/dbraw/zinc/67/06/75/497670675.db2.gz SFORZJRASDHAGA-ZDUSSCGKSA-N 1 2 350.325 3.164 20 5 FGBDLO CCOc1cc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280209988 497682222 /nfs/dbraw/zinc/68/22/22/497682222.db2.gz JUVCRPDJGYVVKK-UHFFFAOYSA-N 1 2 373.457 3.093 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000268160976 497688499 /nfs/dbraw/zinc/68/84/99/497688499.db2.gz DIULJJHYXHJZNG-UHFFFAOYSA-N 1 2 350.444 3.432 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268179575 497693646 /nfs/dbraw/zinc/69/36/46/497693646.db2.gz VQWJMMFLADCAHH-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO CC(C)NC(=O)c1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268279644 497717720 /nfs/dbraw/zinc/71/77/20/497717720.db2.gz RCPJYDFQGZIXMG-RDTXWAMCSA-N 1 2 371.441 3.017 20 5 FGBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173406 497733152 /nfs/dbraw/zinc/73/31/52/497733152.db2.gz XFBDQQVFQBHWLY-XOKHGSTOSA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173406 497733154 /nfs/dbraw/zinc/73/31/54/497733154.db2.gz XFBDQQVFQBHWLY-XOKHGSTOSA-N 1 2 371.393 3.023 20 5 FGBDLO Cc1nn(C)c(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000273108568 497799930 /nfs/dbraw/zinc/79/99/30/497799930.db2.gz NKYIFTWZOPZJKI-CYBMUJFWSA-N 1 2 354.414 3.205 20 5 FGBDLO CCOc1cccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000273143566 497803363 /nfs/dbraw/zinc/80/33/63/497803363.db2.gz FSLAROKTZVOCIS-AWEZNQCLSA-N 1 2 372.425 3.226 20 5 FGBDLO CSc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295897700 497846947 /nfs/dbraw/zinc/84/69/47/497846947.db2.gz NEFUGPNJDPDDRM-AWEZNQCLSA-N 1 2 360.439 3.274 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1(C)C ZINC000295933282 497858931 /nfs/dbraw/zinc/85/89/31/497858931.db2.gz PPHNDBPLJFTMFZ-HNNXBMFYSA-N 1 2 353.382 3.033 20 5 FGBDLO Cc1cc(NCC2([S@@](C)=O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280720943 497871520 /nfs/dbraw/zinc/87/15/20/497871520.db2.gz IXFXEFSYJFOGOP-RUZDIDTESA-N 1 2 360.439 3.073 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000364343698 497909330 /nfs/dbraw/zinc/90/93/30/497909330.db2.gz XJTAELBWPHTHBM-OAHLLOKOSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000364343698 497909338 /nfs/dbraw/zinc/90/93/38/497909338.db2.gz XJTAELBWPHTHBM-OAHLLOKOSA-N 1 2 353.382 3.283 20 5 FGBDLO CCc1cc(NC[C@@H](O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301058166 497933103 /nfs/dbraw/zinc/93/31/03/497933103.db2.gz BFCURNJIUGFDPP-OAHLLOKOSA-N 1 2 354.366 3.353 20 5 FGBDLO COC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301174680 497984523 /nfs/dbraw/zinc/98/45/23/497984523.db2.gz LAZHGDVYXNFWGS-CQSZACIVSA-N 1 2 371.397 3.003 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000364524884 498002732 /nfs/dbraw/zinc/00/27/32/498002732.db2.gz CZDNIEAKFOKIHV-UHFFFAOYSA-N 1 2 357.414 3.109 20 5 FGBDLO Cc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000301260792 498026310 /nfs/dbraw/zinc/02/63/10/498026310.db2.gz SIGGWZVDBJEVPW-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nncn1C ZINC000285601517 498143327 /nfs/dbraw/zinc/14/33/27/498143327.db2.gz VFARJAJFZFRELL-HNNXBMFYSA-N 1 2 372.454 3.334 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000292904029 498190911 /nfs/dbraw/zinc/19/09/11/498190911.db2.gz AQKNGJIUDCBGGD-UHFFFAOYSA-N 1 2 359.348 3.085 20 5 FGBDLO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942694 498221990 /nfs/dbraw/zinc/22/19/90/498221990.db2.gz GNTDIMUHBXMRJX-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330942694 498221997 /nfs/dbraw/zinc/22/19/97/498221997.db2.gz GNTDIMUHBXMRJX-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000301715212 498235350 /nfs/dbraw/zinc/23/53/50/498235350.db2.gz MKVYTJCQIYZUPF-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281687237 498236587 /nfs/dbraw/zinc/23/65/87/498236587.db2.gz MTILURRFHBRXAX-HXUWFJFHSA-N 1 2 372.421 3.142 20 5 FGBDLO Cc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)c[nH+]1 ZINC000578727776 506006901 /nfs/dbraw/zinc/00/69/01/506006901.db2.gz ZFHLYDQCGJWTEA-INIZCTEOSA-N 1 2 354.410 3.440 20 5 FGBDLO CCOC(=O)c1ccnc(N2CCCC[C@@H]2c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000282028394 498362940 /nfs/dbraw/zinc/36/29/40/498362940.db2.gz REDNDQOVWUWGCU-CQSZACIVSA-N 1 2 373.413 3.115 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000365317817 498402996 /nfs/dbraw/zinc/40/29/96/498402996.db2.gz HLFOYQHESXSWDP-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000365317817 498402999 /nfs/dbraw/zinc/40/29/99/498402999.db2.gz HLFOYQHESXSWDP-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CCOC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302229734 498453187 /nfs/dbraw/zinc/45/31/87/498453187.db2.gz BJBCOAHLRFHABH-AWEZNQCLSA-N 1 2 371.397 3.003 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286685533 498476389 /nfs/dbraw/zinc/47/63/89/498476389.db2.gz VRXHNNVBGSPBGX-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286685533 498476399 /nfs/dbraw/zinc/47/63/99/498476399.db2.gz VRXHNNVBGSPBGX-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000362858359 498566828 /nfs/dbraw/zinc/56/68/28/498566828.db2.gz AMDBWRQDSMVKEL-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000362858359 498566834 /nfs/dbraw/zinc/56/68/34/498566834.db2.gz AMDBWRQDSMVKEL-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000294611812 498747644 /nfs/dbraw/zinc/74/76/44/498747644.db2.gz WJAZOCKVAFAPMT-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000294611812 498747651 /nfs/dbraw/zinc/74/76/51/498747651.db2.gz WJAZOCKVAFAPMT-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(F)F ZINC000298409231 498761987 /nfs/dbraw/zinc/76/19/87/498761987.db2.gz WXUNAQMIDJEGKB-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(F)F ZINC000298409231 498761991 /nfs/dbraw/zinc/76/19/91/498761991.db2.gz WXUNAQMIDJEGKB-GXTWGEPZSA-N 1 2 359.760 3.164 20 5 FGBDLO CC(=O)c1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000287777596 498860840 /nfs/dbraw/zinc/86/08/40/498860840.db2.gz IFHXLGOCXTZNJX-UHFFFAOYSA-N 1 2 356.304 3.193 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000366461369 498938205 /nfs/dbraw/zinc/93/82/05/498938205.db2.gz KBMINTBKTREEQE-TZMCWYRMSA-N 1 2 372.368 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000366461369 498938211 /nfs/dbraw/zinc/93/82/11/498938211.db2.gz KBMINTBKTREEQE-TZMCWYRMSA-N 1 2 372.368 3.001 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000299186883 498990897 /nfs/dbraw/zinc/99/08/97/498990897.db2.gz RDSIQEYWWBYCNI-UHFFFAOYSA-N 1 2 369.412 3.309 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366903201 499110613 /nfs/dbraw/zinc/11/06/13/499110613.db2.gz NJUMKFGAINHBSQ-CYBMUJFWSA-N 1 2 373.413 3.198 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529554 499338518 /nfs/dbraw/zinc/33/85/18/499338518.db2.gz SQTKIBPBOHJIDB-RDJZCZTQSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529554 499338520 /nfs/dbraw/zinc/33/85/20/499338520.db2.gz SQTKIBPBOHJIDB-RDJZCZTQSA-N 1 2 374.393 3.007 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000371782987 499365114 /nfs/dbraw/zinc/36/51/14/499365114.db2.gz DNFDFNSMGFCJSH-QGZVFWFLSA-N 1 2 372.425 3.426 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000371782987 499365116 /nfs/dbraw/zinc/36/51/16/499365116.db2.gz DNFDFNSMGFCJSH-QGZVFWFLSA-N 1 2 372.425 3.426 20 5 FGBDLO Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c[nH+]1 ZINC000372443327 499435353 /nfs/dbraw/zinc/43/53/53/499435353.db2.gz LSFJWYVOITUQCR-UHFFFAOYSA-N 1 2 370.409 3.104 20 5 FGBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C2 ZINC000372943409 499444087 /nfs/dbraw/zinc/44/40/87/499444087.db2.gz GIGWUDLZIWJOFU-ZDUSSCGKSA-N 1 2 374.466 3.345 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])CCC2 ZINC000378238601 499493398 /nfs/dbraw/zinc/49/33/98/499493398.db2.gz YZJCTAHAWMYDIR-HNNXBMFYSA-N 1 2 371.441 3.227 20 5 FGBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488787 499523404 /nfs/dbraw/zinc/52/34/04/499523404.db2.gz BLWBPGOFICXAOH-NVXWUHKLSA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000378488787 499523406 /nfs/dbraw/zinc/52/34/06/499523406.db2.gz BLWBPGOFICXAOH-NVXWUHKLSA-N 1 2 374.393 3.007 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378522287 499527500 /nfs/dbraw/zinc/52/75/00/499527500.db2.gz OXKWLXMDUSHCNW-GFCCVEGCSA-N 1 2 354.288 3.314 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000378549384 499530706 /nfs/dbraw/zinc/53/07/06/499530706.db2.gz WZHLMZRIJMXASX-CYBMUJFWSA-N 1 2 368.315 3.324 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375617097 499538220 /nfs/dbraw/zinc/53/82/20/499538220.db2.gz GHVGRCPEKFTVTJ-ZDUSSCGKSA-N 1 2 358.398 3.098 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768063 499553701 /nfs/dbraw/zinc/55/37/01/499553701.db2.gz LGXSPTNYHMXUSH-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375768063 499553702 /nfs/dbraw/zinc/55/37/02/499553702.db2.gz LGXSPTNYHMXUSH-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377388220 499685947 /nfs/dbraw/zinc/68/59/47/499685947.db2.gz DCVYULUQAFSOLD-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377388220 499685948 /nfs/dbraw/zinc/68/59/48/499685948.db2.gz DCVYULUQAFSOLD-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000412627913 499870409 /nfs/dbraw/zinc/87/04/09/499870409.db2.gz HIBWYFSBEVEKEK-NSHDSACASA-N 1 2 370.331 3.489 20 5 FGBDLO CC(C)(C[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)C(N)=O ZINC000413310294 499940195 /nfs/dbraw/zinc/94/01/95/499940195.db2.gz GWYQCBJVQQOXJV-CYBMUJFWSA-N 1 2 356.426 3.261 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC[C@@H]1C1CCC1 ZINC000416088541 499947012 /nfs/dbraw/zinc/94/70/12/499947012.db2.gz ADLMMUSUSVEAIG-QGZVFWFLSA-N 1 2 372.450 3.138 20 5 FGBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1C ZINC000413396726 499948698 /nfs/dbraw/zinc/94/86/98/499948698.db2.gz FMTFXBCMGDMYQB-UHFFFAOYSA-N 1 2 356.426 3.051 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)Cc2ccccc2O1 ZINC000429133557 500009509 /nfs/dbraw/zinc/00/95/09/500009509.db2.gz IBUWTRLKRXNPQI-CYBMUJFWSA-N 1 2 356.378 3.244 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)Cc2ccccc2O1 ZINC000429133557 500009512 /nfs/dbraw/zinc/00/95/12/500009512.db2.gz IBUWTRLKRXNPQI-CYBMUJFWSA-N 1 2 356.378 3.244 20 5 FGBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429252433 500035281 /nfs/dbraw/zinc/03/52/81/500035281.db2.gz FEEMZABNBOSTFZ-CYBMUJFWSA-N 1 2 369.400 3.321 20 5 FGBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429252433 500035283 /nfs/dbraw/zinc/03/52/83/500035283.db2.gz FEEMZABNBOSTFZ-CYBMUJFWSA-N 1 2 369.400 3.321 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425437217 500105989 /nfs/dbraw/zinc/10/59/89/500105989.db2.gz YBXMBWMVJHLXHF-OAHLLOKOSA-N 1 2 357.248 3.342 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425437217 500105992 /nfs/dbraw/zinc/10/59/92/500105992.db2.gz YBXMBWMVJHLXHF-OAHLLOKOSA-N 1 2 357.248 3.342 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000425464564 500113663 /nfs/dbraw/zinc/11/36/63/500113663.db2.gz ZTAIUOJNXJTWGE-SECBINFHSA-N 1 2 365.174 3.418 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000425464564 500113666 /nfs/dbraw/zinc/11/36/66/500113666.db2.gz ZTAIUOJNXJTWGE-SECBINFHSA-N 1 2 365.174 3.418 20 5 FGBDLO CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443110208 500682071 /nfs/dbraw/zinc/68/20/71/500682071.db2.gz MXBUMXCPIWHNHU-GXSJLCMTSA-N 1 2 352.778 3.006 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000448334101 500748535 /nfs/dbraw/zinc/74/85/35/500748535.db2.gz GHUOSAQAAAPLQM-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000438480737 500790984 /nfs/dbraw/zinc/79/09/84/500790984.db2.gz BELDLTWIOLTCLM-LLVKDONJSA-N 1 2 370.247 3.274 20 5 FGBDLO CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000438480737 500790985 /nfs/dbraw/zinc/79/09/85/500790985.db2.gz BELDLTWIOLTCLM-LLVKDONJSA-N 1 2 370.247 3.274 20 5 FGBDLO Cc1cc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)on1 ZINC000448713904 500812126 /nfs/dbraw/zinc/81/21/26/500812126.db2.gz NRLWGEGNCAKISQ-OAHLLOKOSA-N 1 2 367.365 3.054 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2ccccn21 ZINC000444687015 500878466 /nfs/dbraw/zinc/87/84/66/500878466.db2.gz YVTYFIVEZZHSDI-KRWDZBQOSA-N 1 2 365.397 3.001 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069259 501068577 /nfs/dbraw/zinc/06/85/77/501068577.db2.gz HJCDAPMTCCWMKO-SDDRHHMPSA-N 1 2 374.384 3.245 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000446069259 501068579 /nfs/dbraw/zinc/06/85/79/501068579.db2.gz HJCDAPMTCCWMKO-SDDRHHMPSA-N 1 2 374.384 3.245 20 5 FGBDLO CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000449974221 501141850 /nfs/dbraw/zinc/14/18/50/501141850.db2.gz MIUITIYDMUSGTI-DLBZAZTESA-N 1 2 372.425 3.056 20 5 FGBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602625219 506236829 /nfs/dbraw/zinc/23/68/29/506236829.db2.gz FPYRCGBOXCPBKP-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602625219 506236834 /nfs/dbraw/zinc/23/68/34/506236834.db2.gz FPYRCGBOXCPBKP-UHFFFAOYSA-N 1 2 371.359 3.058 20 5 FGBDLO CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450039383 501161451 /nfs/dbraw/zinc/16/14/51/501161451.db2.gz MJXQNUZDGHAOMH-BBRMVZONSA-N 1 2 360.439 3.185 20 5 FGBDLO CCOC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000450592750 501162562 /nfs/dbraw/zinc/16/25/62/501162562.db2.gz ANUPOBDFXHEJSN-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000450592750 501162564 /nfs/dbraw/zinc/16/25/64/501162564.db2.gz ANUPOBDFXHEJSN-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000450074770 501172802 /nfs/dbraw/zinc/17/28/02/501172802.db2.gz GLNSMZPXEYJMFP-NVXWUHKLSA-N 1 2 372.450 3.281 20 5 FGBDLO COc1cc2c(c(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)c1)O[C@H](C)C2 ZINC000446847360 501173038 /nfs/dbraw/zinc/17/30/38/501173038.db2.gz LSISNQSAGKBUFP-LLVKDONJSA-N 1 2 368.393 3.093 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC(F)F)CC1CCC1 ZINC000450293572 501227220 /nfs/dbraw/zinc/22/72/20/501227220.db2.gz KJDLDNIGGPSLEM-UHFFFAOYSA-N 1 2 364.352 3.288 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cs1 ZINC000451015594 501239204 /nfs/dbraw/zinc/23/92/04/501239204.db2.gz FZOKRGYNKIHFLL-OAHLLOKOSA-N 1 2 374.466 3.305 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cs1 ZINC000451015594 501239205 /nfs/dbraw/zinc/23/92/05/501239205.db2.gz FZOKRGYNKIHFLL-OAHLLOKOSA-N 1 2 374.466 3.305 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000451201216 501251560 /nfs/dbraw/zinc/25/15/60/501251560.db2.gz LEDMFNAVZXIEKY-NSHDSACASA-N 1 2 368.315 3.195 20 5 FGBDLO COC1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451311902 501262319 /nfs/dbraw/zinc/26/23/19/501262319.db2.gz IFSFRJZPSDTKMD-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451334289 501267962 /nfs/dbraw/zinc/26/79/62/501267962.db2.gz SMJPEHRJJBXFPQ-JQWIXIFHSA-N 1 2 368.315 3.193 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402629 501283757 /nfs/dbraw/zinc/28/37/57/501283757.db2.gz BVIUOFHDDJXNNZ-NWDGAFQWSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451402629 501283761 /nfs/dbraw/zinc/28/37/61/501283761.db2.gz BVIUOFHDDJXNNZ-NWDGAFQWSA-N 1 2 359.348 3.220 20 5 FGBDLO Cc1cc(C)c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH+]1 ZINC000455539633 501328961 /nfs/dbraw/zinc/32/89/61/501328961.db2.gz XSNNDALMEBYKEK-UHFFFAOYSA-N 1 2 356.382 3.210 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453583420 501354116 /nfs/dbraw/zinc/35/41/16/501354116.db2.gz YAYRQMALKGBBMP-UHFFFAOYSA-N 1 2 354.406 3.364 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCC[C@H]21 ZINC000452152891 501447249 /nfs/dbraw/zinc/44/72/49/501447249.db2.gz DFEVKLWYVWREMI-HUUCEWRRSA-N 1 2 354.410 3.431 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000452330372 501479272 /nfs/dbraw/zinc/47/92/72/501479272.db2.gz ANJIJPZTWGGKLW-UHFFFAOYSA-N 1 2 354.288 3.399 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000454527908 501569659 /nfs/dbraw/zinc/56/96/59/501569659.db2.gz VUSXHNDDOKUASR-KWQFWETISA-N 1 2 367.312 3.220 20 5 FGBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC000456844708 501609494 /nfs/dbraw/zinc/60/94/94/501609494.db2.gz RRMSGBPPNOBSDO-UHFFFAOYSA-N 1 2 351.309 3.138 20 5 FGBDLO CCOC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000467194164 501733326 /nfs/dbraw/zinc/73/33/26/501733326.db2.gz BQDQJAMZWOWXMW-UHFFFAOYSA-N 1 2 373.409 3.210 20 5 FGBDLO CCOC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000467194164 501733328 /nfs/dbraw/zinc/73/33/28/501733328.db2.gz BQDQJAMZWOWXMW-UHFFFAOYSA-N 1 2 373.409 3.210 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481330609 501746367 /nfs/dbraw/zinc/74/63/67/501746367.db2.gz MNJLGSOHJZKRQZ-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481330609 501746370 /nfs/dbraw/zinc/74/63/70/501746370.db2.gz MNJLGSOHJZKRQZ-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO CCOc1cc(N2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000481777056 501880781 /nfs/dbraw/zinc/88/07/81/501880781.db2.gz IWEFCEJKVRPOOD-AWEZNQCLSA-N 1 2 360.414 3.173 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000485632677 501882331 /nfs/dbraw/zinc/88/23/31/501882331.db2.gz YXBLGAKHQPYAIW-UHFFFAOYSA-N 1 2 362.455 3.397 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000485790424 501938596 /nfs/dbraw/zinc/93/85/96/501938596.db2.gz KDHCHZZJHYQROM-KRWDZBQOSA-N 1 2 367.449 3.351 20 5 FGBDLO C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000468114002 501961049 /nfs/dbraw/zinc/96/10/49/501961049.db2.gz UYFKTXPXDHWYPB-LLVKDONJSA-N 1 2 369.406 3.499 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485863803 501965780 /nfs/dbraw/zinc/96/57/80/501965780.db2.gz ZLWUBFIFVHLZEN-CYBMUJFWSA-N 1 2 351.447 3.117 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485863803 501965781 /nfs/dbraw/zinc/96/57/81/501965781.db2.gz ZLWUBFIFVHLZEN-CYBMUJFWSA-N 1 2 351.447 3.117 20 5 FGBDLO CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000464357576 501966325 /nfs/dbraw/zinc/96/63/25/501966325.db2.gz UIFKFRBVFCGMDZ-IAGOWNOFSA-N 1 2 372.425 3.102 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000486185731 502076825 /nfs/dbraw/zinc/07/68/25/502076825.db2.gz LXRJIAUGWGTUSX-UHFFFAOYSA-N 1 2 358.304 3.444 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000471816516 502144666 /nfs/dbraw/zinc/14/46/66/502144666.db2.gz OJXHZMZFRBSZLM-UHFFFAOYSA-N 1 2 368.437 3.473 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000482668508 502145878 /nfs/dbraw/zinc/14/58/78/502145878.db2.gz JSURTCUPMLGHTE-HOCLYGCPSA-N 1 2 372.425 3.058 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc2c[nH+]ccc21 ZINC000599075001 506311691 /nfs/dbraw/zinc/31/16/91/506311691.db2.gz ZCFCWNRJEQVBSB-RDTXWAMCSA-N 1 2 357.410 3.123 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469636831 502487381 /nfs/dbraw/zinc/48/73/81/502487381.db2.gz DCAZEBCMDHYKGU-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476917905 502619753 /nfs/dbraw/zinc/61/97/53/502619753.db2.gz PTAOTJZTAISFRJ-LBPRGKRZSA-N 1 2 366.377 3.286 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000488098665 502627742 /nfs/dbraw/zinc/62/77/42/502627742.db2.gz IPXSVTZTTSDXSC-UHFFFAOYSA-N 1 2 359.389 3.422 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000462933468 502631574 /nfs/dbraw/zinc/63/15/74/502631574.db2.gz SOSMZKHOPAGZEH-MRXNPFEDSA-N 1 2 366.421 3.436 20 5 FGBDLO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000480693742 502644828 /nfs/dbraw/zinc/64/48/28/502644828.db2.gz NBKIIYDTVTYWID-QGZVFWFLSA-N 1 2 366.425 3.058 20 5 FGBDLO CC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000480693742 502644835 /nfs/dbraw/zinc/64/48/35/502644835.db2.gz NBKIIYDTVTYWID-QGZVFWFLSA-N 1 2 366.425 3.058 20 5 FGBDLO CCN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480693742 502644841 /nfs/dbraw/zinc/64/48/41/502644841.db2.gz NBKIIYDTVTYWID-QGZVFWFLSA-N 1 2 366.425 3.058 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000485070448 502812920 /nfs/dbraw/zinc/81/29/20/502812920.db2.gz CESXIHOUDZGZHR-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000485070448 502812921 /nfs/dbraw/zinc/81/29/21/502812921.db2.gz CESXIHOUDZGZHR-SFHVURJKSA-N 1 2 357.385 3.361 20 5 FGBDLO CCn1c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2c1cccc2F ZINC000495499466 502847871 /nfs/dbraw/zinc/84/78/71/502847871.db2.gz IVGRMLQHCPQGPA-UHFFFAOYSA-N 1 2 355.373 3.057 20 5 FGBDLO CCn1c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2c1cccc2F ZINC000495499466 502847878 /nfs/dbraw/zinc/84/78/78/502847878.db2.gz IVGRMLQHCPQGPA-UHFFFAOYSA-N 1 2 355.373 3.057 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1 ZINC000593016113 506338743 /nfs/dbraw/zinc/33/87/43/506338743.db2.gz HYIPWYYHEOHVRT-GOSISDBHSA-N 1 2 357.410 3.447 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1 ZINC000593016113 506338746 /nfs/dbraw/zinc/33/87/46/506338746.db2.gz HYIPWYYHEOHVRT-GOSISDBHSA-N 1 2 357.410 3.447 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000501071643 502927948 /nfs/dbraw/zinc/92/79/48/502927948.db2.gz HRGWUQQXYZRXPD-ZDUSSCGKSA-N 1 2 357.414 3.225 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000513447060 502941148 /nfs/dbraw/zinc/94/11/48/502941148.db2.gz KMWSXBOKYBDAAT-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000513447060 502941149 /nfs/dbraw/zinc/94/11/49/502941149.db2.gz KMWSXBOKYBDAAT-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c(F)c1 ZINC000602900618 506343389 /nfs/dbraw/zinc/34/33/89/506343389.db2.gz DIJNJNLLAOUXON-QGZVFWFLSA-N 1 2 363.364 3.262 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513763315 503018490 /nfs/dbraw/zinc/01/84/90/503018490.db2.gz XGDVLSAMBYQHLS-QGZVFWFLSA-N 1 2 358.348 3.486 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000506097923 503047261 /nfs/dbraw/zinc/04/72/61/503047261.db2.gz BXNYCZRXUVEXMW-INIZCTEOSA-N 1 2 356.378 3.409 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000506097923 503047266 /nfs/dbraw/zinc/04/72/66/503047266.db2.gz BXNYCZRXUVEXMW-INIZCTEOSA-N 1 2 356.378 3.409 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000513992967 503063038 /nfs/dbraw/zinc/06/30/38/503063038.db2.gz WVTGITGXNCUZPN-INIZCTEOSA-N 1 2 359.813 3.343 20 5 FGBDLO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000510525078 503133256 /nfs/dbraw/zinc/13/32/56/503133256.db2.gz MLKDMGQFMTVUGF-SCLBCKFNSA-N 1 2 357.410 3.030 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000510577125 503147896 /nfs/dbraw/zinc/14/78/96/503147896.db2.gz FVEUNALXLPLJIG-JTQLQIEISA-N 1 2 350.325 3.123 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000510577125 503147900 /nfs/dbraw/zinc/14/79/00/503147900.db2.gz FVEUNALXLPLJIG-JTQLQIEISA-N 1 2 350.325 3.123 20 5 FGBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000507089382 503228313 /nfs/dbraw/zinc/22/83/13/503228313.db2.gz SREDNMSWJLXGPN-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000507089382 503228316 /nfs/dbraw/zinc/22/83/16/503228316.db2.gz SREDNMSWJLXGPN-CABCVRRESA-N 1 2 369.421 3.035 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502908375 503305565 /nfs/dbraw/zinc/30/55/65/503305565.db2.gz DGYQUASELTXEBF-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502908375 503305570 /nfs/dbraw/zinc/30/55/70/503305570.db2.gz DGYQUASELTXEBF-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649178 503361804 /nfs/dbraw/zinc/36/18/04/503361804.db2.gz PAXNGDLXDUGAOI-MWLCHTKSSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649178 503361805 /nfs/dbraw/zinc/36/18/05/503361805.db2.gz PAXNGDLXDUGAOI-MWLCHTKSSA-N 1 2 352.740 3.241 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000499242682 503363542 /nfs/dbraw/zinc/36/35/42/503363542.db2.gz CCAXMRWWKMDGBL-AWEZNQCLSA-N 1 2 357.401 3.155 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000499242682 503363543 /nfs/dbraw/zinc/36/35/43/503363543.db2.gz CCAXMRWWKMDGBL-AWEZNQCLSA-N 1 2 357.401 3.155 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000507839466 503377542 /nfs/dbraw/zinc/37/75/42/503377542.db2.gz WCRFNPQLYZDLAV-GFCCVEGCSA-N 1 2 372.429 3.215 20 5 FGBDLO CCOc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-] ZINC000492694703 503381357 /nfs/dbraw/zinc/38/13/57/503381357.db2.gz FURFETUVYAQPDZ-UHFFFAOYSA-N 1 2 369.381 3.071 20 5 FGBDLO CCOc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-] ZINC000492694703 503381361 /nfs/dbraw/zinc/38/13/61/503381361.db2.gz FURFETUVYAQPDZ-UHFFFAOYSA-N 1 2 369.381 3.071 20 5 FGBDLO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492755915 503383183 /nfs/dbraw/zinc/38/31/83/503383183.db2.gz FTWMYZZPGKOHEX-SFHVURJKSA-N 1 2 350.378 3.108 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963526 506368052 /nfs/dbraw/zinc/36/80/52/506368052.db2.gz XIYJSXRVTZRMBC-OAHLLOKOSA-N 1 2 355.316 3.006 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000493008797 503400077 /nfs/dbraw/zinc/40/00/77/503400077.db2.gz LKACYHITIAOIBV-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000493008797 503400081 /nfs/dbraw/zinc/40/00/81/503400081.db2.gz LKACYHITIAOIBV-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457038 503409952 /nfs/dbraw/zinc/40/99/52/503409952.db2.gz MKHCXIWEFFOVQG-UONOGXRCSA-N 1 2 359.451 3.391 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499457038 503409956 /nfs/dbraw/zinc/40/99/56/503409956.db2.gz MKHCXIWEFFOVQG-UONOGXRCSA-N 1 2 359.451 3.391 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000512183701 503479567 /nfs/dbraw/zinc/47/95/67/503479567.db2.gz WEGCHICFPGQAMC-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000512183701 503479569 /nfs/dbraw/zinc/47/95/69/503479569.db2.gz WEGCHICFPGQAMC-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000516340974 503498089 /nfs/dbraw/zinc/49/80/89/503498089.db2.gz FJNUMPWRASHXKC-UHFFFAOYSA-N 1 2 356.378 3.367 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000516340974 503498093 /nfs/dbraw/zinc/49/80/93/503498093.db2.gz FJNUMPWRASHXKC-UHFFFAOYSA-N 1 2 356.378 3.367 20 5 FGBDLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593073319 506376376 /nfs/dbraw/zinc/37/63/76/506376376.db2.gz QEDVPXPKPRHVRU-UHFFFAOYSA-N 1 2 359.760 3.308 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCc3c(cccc3[N+](=O)[O-])C1)O[C@H](C)C2 ZINC000536670750 503671621 /nfs/dbraw/zinc/67/16/21/503671621.db2.gz DTIKCTGCHBGNDO-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCc3c(cccc3[N+](=O)[O-])C1)O[C@H](C)C2 ZINC000536670750 503671629 /nfs/dbraw/zinc/67/16/29/503671629.db2.gz DTIKCTGCHBGNDO-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000536673893 503673650 /nfs/dbraw/zinc/67/36/50/503673650.db2.gz AIODJIHJTLYXEM-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000536673893 503673653 /nfs/dbraw/zinc/67/36/53/503673653.db2.gz AIODJIHJTLYXEM-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000533025758 503703875 /nfs/dbraw/zinc/70/38/75/503703875.db2.gz CRJUSCGJOONNSK-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000533025758 503703881 /nfs/dbraw/zinc/70/38/81/503703881.db2.gz CRJUSCGJOONNSK-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO Cc1c(Br)c(Nc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000543435374 503768892 /nfs/dbraw/zinc/76/88/92/503768892.db2.gz DNWZSEUXYUUROE-UHFFFAOYSA-N 1 2 352.192 3.265 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)c2ncnc3cccc([N+](=O)[O-])c32)c1C ZINC000543449193 503774967 /nfs/dbraw/zinc/77/49/67/503774967.db2.gz GBQBXIMCLZZWAQ-UHFFFAOYSA-N 1 2 353.382 3.195 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533291019 503793270 /nfs/dbraw/zinc/79/32/70/503793270.db2.gz RVZCFAWZLNYCEG-OUAUKWLOSA-N 1 2 357.863 3.401 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533291019 503793277 /nfs/dbraw/zinc/79/32/77/503793277.db2.gz RVZCFAWZLNYCEG-OUAUKWLOSA-N 1 2 357.863 3.401 20 5 FGBDLO C[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296060 503797886 /nfs/dbraw/zinc/79/78/86/503797886.db2.gz UFYYYDLDQAISQF-UWVGGRQHSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296060 503797893 /nfs/dbraw/zinc/79/78/93/503797893.db2.gz UFYYYDLDQAISQF-UWVGGRQHSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000518283520 503942769 /nfs/dbraw/zinc/94/27/69/503942769.db2.gz FXMNHJITZCZSEZ-CYBMUJFWSA-N 1 2 373.384 3.379 20 5 FGBDLO CCc1ccc([C@H](CO)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000541055641 503989216 /nfs/dbraw/zinc/98/92/16/503989216.db2.gz SSQSWXVERBHSEB-KRWDZBQOSA-N 1 2 368.393 3.030 20 5 FGBDLO CNc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000547323856 504062046 /nfs/dbraw/zinc/06/20/46/504062046.db2.gz ATOFHKXKGJLWQO-CYBMUJFWSA-N 1 2 374.466 3.217 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510471 504159667 /nfs/dbraw/zinc/15/96/67/504159667.db2.gz SNEMNVYYBQZJAS-GJZGRUSLSA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510471 504159668 /nfs/dbraw/zinc/15/96/68/504159668.db2.gz SNEMNVYYBQZJAS-GJZGRUSLSA-N 1 2 365.433 3.319 20 5 FGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541982408 504322989 /nfs/dbraw/zinc/32/29/89/504322989.db2.gz ZULGHFCIHHCZJX-KRWDZBQOSA-N 1 2 369.377 3.082 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000542043559 504346866 /nfs/dbraw/zinc/34/68/66/504346866.db2.gz JMUVOVKNBBFDRT-UHFFFAOYSA-N 1 2 359.382 3.038 20 5 FGBDLO C/C(=C\c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116051 504363359 /nfs/dbraw/zinc/36/33/59/504363359.db2.gz VZKYPBPMLPOXLT-ISBHARSQSA-N 1 2 358.398 3.320 20 5 FGBDLO C/C(=C\c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545116051 504363366 /nfs/dbraw/zinc/36/33/66/504363366.db2.gz VZKYPBPMLPOXLT-ISBHARSQSA-N 1 2 358.398 3.320 20 5 FGBDLO Cc1cc(NCCSCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000538787806 504370765 /nfs/dbraw/zinc/37/07/65/504370765.db2.gz SFGIZVWJNHPUEB-UHFFFAOYSA-N 1 2 372.372 3.490 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000542143364 504380089 /nfs/dbraw/zinc/38/00/89/504380089.db2.gz RZXMHIIQSIRGIU-ZDUSSCGKSA-N 1 2 358.394 3.395 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000542143364 504380093 /nfs/dbraw/zinc/38/00/93/504380093.db2.gz RZXMHIIQSIRGIU-ZDUSSCGKSA-N 1 2 358.394 3.395 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000520484683 504509942 /nfs/dbraw/zinc/50/99/42/504509942.db2.gz CVECPQPKFAHSBL-HNNXBMFYSA-N 1 2 364.405 3.260 20 5 FGBDLO COCC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000542532782 504530806 /nfs/dbraw/zinc/53/08/06/504530806.db2.gz QDZBCWQEVLZDAG-AWEZNQCLSA-N 1 2 358.354 3.105 20 5 FGBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793224 504545784 /nfs/dbraw/zinc/54/57/84/504545784.db2.gz SBGRZNFOKPYLKZ-RYUDHWBXSA-N 1 2 357.385 3.341 20 5 FGBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793224 504545791 /nfs/dbraw/zinc/54/57/91/504545791.db2.gz SBGRZNFOKPYLKZ-RYUDHWBXSA-N 1 2 357.385 3.341 20 5 FGBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000536361321 504710098 /nfs/dbraw/zinc/71/00/98/504710098.db2.gz ZGBXEKKUAYFLOC-INIZCTEOSA-N 1 2 360.357 3.206 20 5 FGBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000536361321 504710101 /nfs/dbraw/zinc/71/01/01/504710101.db2.gz ZGBXEKKUAYFLOC-INIZCTEOSA-N 1 2 360.357 3.206 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@]1=O ZINC000521477353 504744687 /nfs/dbraw/zinc/74/46/87/504744687.db2.gz IHTLYMPBSVJQKI-MYODQAERSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@]1=O ZINC000521477353 504744689 /nfs/dbraw/zinc/74/46/89/504744689.db2.gz IHTLYMPBSVJQKI-MYODQAERSA-N 1 2 350.465 3.276 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000559146889 504791829 /nfs/dbraw/zinc/79/18/29/504791829.db2.gz YPHBWSIMXOUKRJ-UHFFFAOYSA-N 1 2 368.389 3.361 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000559146889 504791833 /nfs/dbraw/zinc/79/18/33/504791833.db2.gz YPHBWSIMXOUKRJ-UHFFFAOYSA-N 1 2 368.389 3.361 20 5 FGBDLO CCCNC(=O)C[N@H+](CCC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549366562 504802244 /nfs/dbraw/zinc/80/22/44/504802244.db2.gz OMLWRLDKVVQLKU-UHFFFAOYSA-N 1 2 361.364 3.352 20 5 FGBDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549366562 504802246 /nfs/dbraw/zinc/80/22/46/504802246.db2.gz OMLWRLDKVVQLKU-UHFFFAOYSA-N 1 2 361.364 3.352 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000559237607 504806056 /nfs/dbraw/zinc/80/60/56/504806056.db2.gz OPYQHJGMWRWXEE-UHFFFAOYSA-N 1 2 351.366 3.177 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000553287123 504873723 /nfs/dbraw/zinc/87/37/23/504873723.db2.gz BIHBTRJOVGLXPO-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CC(=O)Nc1ccc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556894562 505009441 /nfs/dbraw/zinc/00/94/41/505009441.db2.gz DLPHJXFOKDGNCL-SFHVURJKSA-N 1 2 365.393 3.488 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000553908085 505039289 /nfs/dbraw/zinc/03/92/89/505039289.db2.gz UCKWXMSJQWWZCX-SUMWQHHRSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000553908085 505039294 /nfs/dbraw/zinc/03/92/94/505039294.db2.gz UCKWXMSJQWWZCX-SUMWQHHRSA-N 1 2 354.410 3.320 20 5 FGBDLO CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000550846387 505113245 /nfs/dbraw/zinc/11/32/45/505113245.db2.gz ABNQHLAAIKLISF-UHFFFAOYSA-N 1 2 364.405 3.375 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000554199152 505113882 /nfs/dbraw/zinc/11/38/82/505113882.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000554199152 505113884 /nfs/dbraw/zinc/11/38/84/505113884.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000554199152 505113889 /nfs/dbraw/zinc/11/38/89/505113889.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000554199152 505113890 /nfs/dbraw/zinc/11/38/90/505113890.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000554199152 505113895 /nfs/dbraw/zinc/11/38/95/505113895.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n[nH]1 ZINC000554199152 505113900 /nfs/dbraw/zinc/11/39/00/505113900.db2.gz CCOUPNXTOQLHJS-CQSZACIVSA-N 1 2 359.430 3.188 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000554367908 505156009 /nfs/dbraw/zinc/15/60/09/505156009.db2.gz LUMRSLFIXWXCTD-UHFFFAOYSA-N 1 2 359.385 3.015 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000566940270 505316494 /nfs/dbraw/zinc/31/64/94/505316494.db2.gz YEIGKKGSJAXQQS-KRWDZBQOSA-N 1 2 357.410 3.089 20 5 FGBDLO CC(C)Cn1cc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000552070493 505389557 /nfs/dbraw/zinc/38/95/57/505389557.db2.gz SFVLBLVPKYVYSZ-KRWDZBQOSA-N 1 2 354.414 3.382 20 5 FGBDLO CCOC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555301273 505402662 /nfs/dbraw/zinc/40/26/62/505402662.db2.gz YGDULZREEFQYTP-UHFFFAOYSA-N 1 2 360.332 3.389 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2)Nc1ccccc1[N+](=O)[O-] ZINC000564393912 505406205 /nfs/dbraw/zinc/40/62/05/505406205.db2.gz RPKMZLUREZMOBM-HXUWFJFHSA-N 1 2 367.405 3.003 20 5 FGBDLO O=C(C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2)Nc1ccccc1[N+](=O)[O-] ZINC000564393912 505406209 /nfs/dbraw/zinc/40/62/09/505406209.db2.gz RPKMZLUREZMOBM-HXUWFJFHSA-N 1 2 367.405 3.003 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000561678177 505406918 /nfs/dbraw/zinc/40/69/18/505406918.db2.gz LMZHNOFWZOXYLD-ZDUSSCGKSA-N 1 2 353.373 3.113 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000555421858 505429657 /nfs/dbraw/zinc/42/96/57/505429657.db2.gz RKWUKZJKRXQHDD-UHFFFAOYSA-N 1 2 350.378 3.044 20 5 FGBDLO CCc1noc(CC)c1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552268475 505445806 /nfs/dbraw/zinc/44/58/06/505445806.db2.gz KSWIOFJBNOTNBQ-SFHVURJKSA-N 1 2 369.425 3.320 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000558744320 505481080 /nfs/dbraw/zinc/48/10/80/505481080.db2.gz YIVQAILVJCDZQS-OAHLLOKOSA-N 1 2 372.322 3.381 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000558744320 505481085 /nfs/dbraw/zinc/48/10/85/505481085.db2.gz YIVQAILVJCDZQS-OAHLLOKOSA-N 1 2 372.322 3.381 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000599526016 506486351 /nfs/dbraw/zinc/48/63/51/506486351.db2.gz YQTFQZVTYHTZBJ-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000599526016 506486355 /nfs/dbraw/zinc/48/63/55/506486355.db2.gz YQTFQZVTYHTZBJ-UHFFFAOYSA-N 1 2 356.426 3.119 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000582930306 506494439 /nfs/dbraw/zinc/49/44/39/506494439.db2.gz CUAVDJHNXXKDQK-AWEZNQCLSA-N 1 2 363.439 3.150 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000589371640 506530722 /nfs/dbraw/zinc/53/07/22/506530722.db2.gz ZWRUKSLPHOCSRB-UHFFFAOYSA-N 1 2 354.410 3.295 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000589513551 506574068 /nfs/dbraw/zinc/57/40/68/506574068.db2.gz FICUPWXEMBHEFO-UHFFFAOYSA-N 1 2 362.426 3.305 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000589513551 506574070 /nfs/dbraw/zinc/57/40/70/506574070.db2.gz FICUPWXEMBHEFO-UHFFFAOYSA-N 1 2 362.426 3.305 20 5 FGBDLO COCc1cc(NCCNc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2[nH+]1 ZINC000589557677 506585520 /nfs/dbraw/zinc/58/55/20/506585520.db2.gz ITHGPWUALQTDLO-UHFFFAOYSA-N 1 2 370.384 3.374 20 5 FGBDLO Cc1ccn2cc(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[nH+]c2c1 ZINC000604122910 506723079 /nfs/dbraw/zinc/72/30/79/506723079.db2.gz GORBTOSJWGFXKF-UHFFFAOYSA-N 1 2 351.366 3.048 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131183 506786349 /nfs/dbraw/zinc/78/63/49/506786349.db2.gz JVJISPKGTGNDCI-ZFWWWQNUSA-N 1 2 360.439 3.136 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131597 506786685 /nfs/dbraw/zinc/78/66/85/506786685.db2.gz TXTLJEHRNGWBDU-CQSZACIVSA-N 1 2 356.407 3.483 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435434 506831951 /nfs/dbraw/zinc/83/19/51/506831951.db2.gz XDNBRUAIXKLANH-GXTWGEPZSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435434 506831957 /nfs/dbraw/zinc/83/19/57/506831957.db2.gz XDNBRUAIXKLANH-GXTWGEPZSA-N 1 2 366.364 3.306 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590599926 506875725 /nfs/dbraw/zinc/87/57/25/506875725.db2.gz HEZWCPCDMPVBIF-ZDUSSCGKSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590599926 506875732 /nfs/dbraw/zinc/87/57/32/506875732.db2.gz HEZWCPCDMPVBIF-ZDUSSCGKSA-N 1 2 374.828 3.461 20 5 FGBDLO Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1[N+](=O)[O-] ZINC000609664001 506966859 /nfs/dbraw/zinc/96/68/59/506966859.db2.gz DJSQXVJXDVSBEJ-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1nc(C(C)C)oc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597685162 507056914 /nfs/dbraw/zinc/05/69/14/507056914.db2.gz SSVYRVSNRASZMO-UHFFFAOYSA-N 1 2 369.381 3.130 20 5 FGBDLO C[C@@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000610161154 507119329 /nfs/dbraw/zinc/11/93/29/507119329.db2.gz DLMGFCDTJWBUMF-CQSZACIVSA-N 1 2 368.393 3.028 20 5 FGBDLO C[C@@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000610161154 507119336 /nfs/dbraw/zinc/11/93/36/507119336.db2.gz DLMGFCDTJWBUMF-CQSZACIVSA-N 1 2 368.393 3.028 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594521913 507169938 /nfs/dbraw/zinc/16/99/38/507169938.db2.gz VPVFMHFZCDPIGI-ROUUACIJSA-N 1 2 370.453 3.499 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597939821 507188804 /nfs/dbraw/zinc/18/88/04/507188804.db2.gz CHGKBEBNFVDTHP-UHFFFAOYSA-N 1 2 366.377 3.266 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942456 507190228 /nfs/dbraw/zinc/19/02/28/507190228.db2.gz YUVYHTVGDVRZKN-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO C[C@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420581 507233311 /nfs/dbraw/zinc/23/33/11/507233311.db2.gz ZLDFJSQSPRFGQV-UWJYYQICSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420581 507233316 /nfs/dbraw/zinc/23/33/16/507233316.db2.gz ZLDFJSQSPRFGQV-UWJYYQICSA-N 1 2 369.465 3.273 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000591845408 507389988 /nfs/dbraw/zinc/38/99/88/507389988.db2.gz YLIVJJUAKPAIJD-UHFFFAOYSA-N 1 2 366.215 3.393 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000591845408 507389996 /nfs/dbraw/zinc/38/99/96/507389996.db2.gz YLIVJJUAKPAIJD-UHFFFAOYSA-N 1 2 366.215 3.393 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846802 507411909 /nfs/dbraw/zinc/41/19/09/507411909.db2.gz JHDUTLSNGAIJTJ-UHFFFAOYSA-N 1 2 352.394 3.469 20 5 FGBDLO Cc1cccn2cc(CC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH+]c12 ZINC000610874540 507425542 /nfs/dbraw/zinc/42/55/42/507425542.db2.gz BYIZTZKXFLISGI-UHFFFAOYSA-N 1 2 364.405 3.285 20 5 FGBDLO C[N@@H+]1CCO[C@H](CSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000591955010 507426998 /nfs/dbraw/zinc/42/69/98/507426998.db2.gz AOPKTVJZTJBUHI-INIZCTEOSA-N 1 2 372.446 3.249 20 5 FGBDLO C[N@H+]1CCO[C@H](CSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000591955010 507427002 /nfs/dbraw/zinc/42/70/02/507427002.db2.gz AOPKTVJZTJBUHI-INIZCTEOSA-N 1 2 372.446 3.249 20 5 FGBDLO C[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459208 507434591 /nfs/dbraw/zinc/43/45/91/507434591.db2.gz FPGPWGIQPUYBDE-KBPBESRZSA-N 1 2 371.441 3.056 20 5 FGBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000595354702 507469050 /nfs/dbraw/zinc/46/90/50/507469050.db2.gz QJJHMPXMCFKULM-OAHLLOKOSA-N 1 2 373.413 3.067 20 5 FGBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000595354702 507469059 /nfs/dbraw/zinc/46/90/59/507469059.db2.gz QJJHMPXMCFKULM-OAHLLOKOSA-N 1 2 373.413 3.067 20 5 FGBDLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592134108 507499394 /nfs/dbraw/zinc/49/93/94/507499394.db2.gz MBMZUQFJWQDOMR-WCQYABFASA-N 1 2 355.822 3.075 20 5 FGBDLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592134108 507499401 /nfs/dbraw/zinc/49/94/01/507499401.db2.gz MBMZUQFJWQDOMR-WCQYABFASA-N 1 2 355.822 3.075 20 5 FGBDLO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2C)c([N+](=O)[O-])s1 ZINC000601958707 507528998 /nfs/dbraw/zinc/52/89/98/507528998.db2.gz CFPBQATVGVSQGN-UHFFFAOYSA-N 1 2 369.468 3.136 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253043 507581378 /nfs/dbraw/zinc/58/13/78/507581378.db2.gz UZIYKLAOYFJMTI-UHFFFAOYSA-N 1 2 364.423 3.076 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253043 507581384 /nfs/dbraw/zinc/58/13/84/507581384.db2.gz UZIYKLAOYFJMTI-UHFFFAOYSA-N 1 2 364.423 3.076 20 5 FGBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595614197 507592404 /nfs/dbraw/zinc/59/24/04/507592404.db2.gz HIEANTMDNPFAHN-UHFFFAOYSA-N 1 2 359.382 3.015 20 5 FGBDLO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000592400989 507639969 /nfs/dbraw/zinc/63/99/69/507639969.db2.gz VOOWOYMBMVQTCG-WFASDCNBSA-N 1 2 365.430 3.022 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000586772165 507667264 /nfs/dbraw/zinc/66/72/64/507667264.db2.gz NXOOLFBRLRXZBY-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000611410122 507670422 /nfs/dbraw/zinc/67/04/22/507670422.db2.gz KXMASZGQNSWHGU-ABAIWWIYSA-N 1 2 364.398 3.303 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781930 507682480 /nfs/dbraw/zinc/68/24/80/507682480.db2.gz WLSMQLIPQSGWQS-WOPDTQHZSA-N 1 2 355.822 3.075 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781930 507682487 /nfs/dbraw/zinc/68/24/87/507682487.db2.gz WLSMQLIPQSGWQS-WOPDTQHZSA-N 1 2 355.822 3.075 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595815219 507697471 /nfs/dbraw/zinc/69/74/71/507697471.db2.gz MVRNTPMBCBTTRZ-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595815219 507697476 /nfs/dbraw/zinc/69/74/76/507697476.db2.gz MVRNTPMBCBTTRZ-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595845734 507710145 /nfs/dbraw/zinc/71/01/45/507710145.db2.gz QFHUHUHYPRTQAN-AWEZNQCLSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595845734 507710148 /nfs/dbraw/zinc/71/01/48/507710148.db2.gz QFHUHUHYPRTQAN-AWEZNQCLSA-N 1 2 351.204 3.001 20 5 FGBDLO COc1nsc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1Br ZINC000602516113 507735339 /nfs/dbraw/zinc/73/53/39/507735339.db2.gz HRJMXKJWIKUZOT-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO O=C(Nc1ccc(O)c(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000129580076 700789706 /nfs/dbraw/zinc/78/97/06/700789706.db2.gz NNQSULSSXNDFIW-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000374363679 713916870 /nfs/dbraw/zinc/91/68/70/713916870.db2.gz CXAJQJUNNZYMFY-LLVKDONJSA-N 1 2 356.407 3.173 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000522239592 714178024 /nfs/dbraw/zinc/17/80/24/714178024.db2.gz USGZUSRUCUVOAF-UHFFFAOYSA-N 1 2 366.215 3.273 20 5 FGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736072716 722521896 /nfs/dbraw/zinc/52/18/96/722521896.db2.gz QSWDPWGVQQASHY-CQSZACIVSA-N 1 2 350.806 3.289 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000746662714 722612903 /nfs/dbraw/zinc/61/29/03/722612903.db2.gz GVEDNPKQSUZYRQ-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000746662714 722612905 /nfs/dbraw/zinc/61/29/05/722612905.db2.gz GVEDNPKQSUZYRQ-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000761512794 723161527 /nfs/dbraw/zinc/16/15/27/723161527.db2.gz XETPHRKIPBHHBF-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000761512794 723161531 /nfs/dbraw/zinc/16/15/31/723161531.db2.gz XETPHRKIPBHHBF-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900171 723379363 /nfs/dbraw/zinc/37/93/63/723379363.db2.gz DZIUKLCCLCIQTP-RIEGTJTDSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900171 723379365 /nfs/dbraw/zinc/37/93/65/723379365.db2.gz DZIUKLCCLCIQTP-RIEGTJTDSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000767914182 723639623 /nfs/dbraw/zinc/63/96/23/723639623.db2.gz MYQLZYPTUGJVJQ-CQSZACIVSA-N 1 2 350.312 3.259 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000797528900 723830905 /nfs/dbraw/zinc/83/09/05/723830905.db2.gz ZHYBLAGKISEVJD-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000797528900 723830908 /nfs/dbraw/zinc/83/09/08/723830908.db2.gz ZHYBLAGKISEVJD-IIYDPXPESA-N 1 2 354.834 3.407 20 5 FGBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989099 725281051 /nfs/dbraw/zinc/28/10/51/725281051.db2.gz XNRKNHIMNXRDFM-GFCCVEGCSA-N 1 2 351.230 3.119 20 5 FGBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989099 725281052 /nfs/dbraw/zinc/28/10/52/725281052.db2.gz XNRKNHIMNXRDFM-GFCCVEGCSA-N 1 2 351.230 3.119 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511140 725371093 /nfs/dbraw/zinc/37/10/93/725371093.db2.gz CTWOFJGGMUVOCH-CQSZACIVSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511140 725371095 /nfs/dbraw/zinc/37/10/95/725371095.db2.gz CTWOFJGGMUVOCH-CQSZACIVSA-N 1 2 367.833 3.491 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)c1 ZINC000811520756 725372355 /nfs/dbraw/zinc/37/23/55/725372355.db2.gz UMYLEOWQJNNRBG-LBPRGKRZSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)c1 ZINC000811520756 725372356 /nfs/dbraw/zinc/37/23/56/725372356.db2.gz UMYLEOWQJNNRBG-LBPRGKRZSA-N 1 2 365.231 3.309 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812780886 726810144 /nfs/dbraw/zinc/81/01/44/726810144.db2.gz WCIGKAZUONDYOF-NSHDSACASA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812780886 726810147 /nfs/dbraw/zinc/81/01/47/726810147.db2.gz WCIGKAZUONDYOF-NSHDSACASA-N 1 2 351.204 3.001 20 5 FGBDLO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815146853 727045505 /nfs/dbraw/zinc/04/55/05/727045505.db2.gz USVWCLLRKZLUIX-HIFRSBDPSA-N 1 2 362.348 3.060 20 5 FGBDLO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815146853 727045507 /nfs/dbraw/zinc/04/55/07/727045507.db2.gz USVWCLLRKZLUIX-HIFRSBDPSA-N 1 2 362.348 3.060 20 5 FGBDLO CO[C@@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000823031476 729245640 /nfs/dbraw/zinc/24/56/40/729245640.db2.gz NBGSRMFTQSQRLT-HNNXBMFYSA-N 1 2 355.232 3.140 20 5 FGBDLO CO[C@@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000823031476 729245641 /nfs/dbraw/zinc/24/56/41/729245641.db2.gz NBGSRMFTQSQRLT-HNNXBMFYSA-N 1 2 355.232 3.140 20 5 FGBDLO C[C@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CCc2ccccc21 ZINC000844739904 730761064 /nfs/dbraw/zinc/76/10/64/730761064.db2.gz DOXCYPRXJMIXTC-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CCc2ccccc21 ZINC000844739904 730761068 /nfs/dbraw/zinc/76/10/68/730761068.db2.gz DOXCYPRXJMIXTC-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000862114341 732771316 /nfs/dbraw/zinc/77/13/16/732771316.db2.gz GKCLGMXPOPJCOS-UHFFFAOYSA-N 1 2 364.204 3.019 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(CCCO)CC2)cc1Br ZINC000877194508 736197049 /nfs/dbraw/zinc/19/70/49/736197049.db2.gz PHIINJPDQAJMAF-UHFFFAOYSA-N 1 2 363.277 3.403 20 5 FGBDLO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nccn1C ZINC000883294831 737548062 /nfs/dbraw/zinc/54/80/62/737548062.db2.gz NDLZWOQTXZEVNH-GFCCVEGCSA-N 1 2 353.220 3.332 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)no1 ZINC000931933989 761010273 /nfs/dbraw/zinc/01/02/73/761010273.db2.gz PDKOGUYZIYWCLI-SNVBAGLBSA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)no1 ZINC000931933989 761010284 /nfs/dbraw/zinc/01/02/84/761010284.db2.gz PDKOGUYZIYWCLI-SNVBAGLBSA-N 1 2 367.203 3.038 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046344833 208362804 /nfs/dbraw/zinc/36/28/04/208362804.db2.gz UCODBCMAFCJGJH-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046344833 208362810 /nfs/dbraw/zinc/36/28/10/208362810.db2.gz UCODBCMAFCJGJH-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000057126781 132303418 /nfs/dbraw/zinc/30/34/18/132303418.db2.gz KLFWBKYTYVEFON-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000568101455 505616399 /nfs/dbraw/zinc/61/63/99/505616399.db2.gz ZDMKKCUQSYJCNP-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000568101455 505616402 /nfs/dbraw/zinc/61/64/02/505616402.db2.gz ZDMKKCUQSYJCNP-MJGOQNOKSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000577091509 505662437 /nfs/dbraw/zinc/66/24/37/505662437.db2.gz HGJHBYQTLPVRCN-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC=C(c4ccccn4)C3)n2)cc1 ZINC000577091509 505662438 /nfs/dbraw/zinc/66/24/38/505662438.db2.gz HGJHBYQTLPVRCN-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000081315814 493867378 /nfs/dbraw/zinc/86/73/78/493867378.db2.gz IZAODHVHTGWZSL-KRWDZBQOSA-N 1 2 350.378 3.042 20 5 FGBDLO CC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000031813554 493962743 /nfs/dbraw/zinc/96/27/43/493962743.db2.gz QQDZTZWRBSMOAP-UHFFFAOYSA-N 1 2 350.334 3.235 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000081932283 493967728 /nfs/dbraw/zinc/96/77/28/493967728.db2.gz DYSLXKUBJCWBQZ-UHFFFAOYSA-N 1 2 364.405 3.354 20 5 FGBDLO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000032429712 493989161 /nfs/dbraw/zinc/98/91/61/493989161.db2.gz RZSAEUJFGZPZOG-SNVBAGLBSA-N 1 2 365.480 3.203 20 5 FGBDLO Cc1sc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000032429712 493989164 /nfs/dbraw/zinc/98/91/64/493989164.db2.gz RZSAEUJFGZPZOG-SNVBAGLBSA-N 1 2 365.480 3.203 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000052713102 494056121 /nfs/dbraw/zinc/05/61/21/494056121.db2.gz UZQPLLYTMUXIED-UHFFFAOYSA-N 1 2 356.411 3.464 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000070891667 494064737 /nfs/dbraw/zinc/06/47/37/494064737.db2.gz COIHZJASHYQEKG-UHFFFAOYSA-N 1 2 358.379 3.184 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000053231668 494107869 /nfs/dbraw/zinc/10/78/69/494107869.db2.gz BLTRRTWMZWYMHL-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000053231668 494107870 /nfs/dbraw/zinc/10/78/70/494107870.db2.gz BLTRRTWMZWYMHL-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072075853 494124788 /nfs/dbraw/zinc/12/47/88/494124788.db2.gz WKMFARHGVLYYGW-UHFFFAOYSA-N 1 2 372.768 3.451 20 5 FGBDLO C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000077688828 494144483 /nfs/dbraw/zinc/14/44/83/494144483.db2.gz ZTVZHLFIDLOSRZ-SWLSCSKDSA-N 1 2 366.377 3.427 20 5 FGBDLO CC[N@H+](CCCNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000010237864 494146859 /nfs/dbraw/zinc/14/68/59/494146859.db2.gz KJUUGRRUWGQTPK-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO CC[N@@H+](CCCNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000010237864 494146861 /nfs/dbraw/zinc/14/68/61/494146861.db2.gz KJUUGRRUWGQTPK-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605657 494253363 /nfs/dbraw/zinc/25/33/63/494253363.db2.gz KKUFYONUYSOAMT-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605657 494253367 /nfs/dbraw/zinc/25/33/67/494253367.db2.gz KKUFYONUYSOAMT-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072862578 494269157 /nfs/dbraw/zinc/26/91/57/494269157.db2.gz QHTVAWQZBDGDJN-JQWIXIFHSA-N 1 2 357.863 3.403 20 5 FGBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072862578 494269160 /nfs/dbraw/zinc/26/91/60/494269160.db2.gz QHTVAWQZBDGDJN-JQWIXIFHSA-N 1 2 357.863 3.403 20 5 FGBDLO Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000043147817 494270514 /nfs/dbraw/zinc/27/05/14/494270514.db2.gz RIBNIGNTTNACPN-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000078674575 494341001 /nfs/dbraw/zinc/34/10/01/494341001.db2.gz WMKBRDWESNZMLD-UHFFFAOYSA-N 1 2 355.442 3.436 20 5 FGBDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000016978062 494404278 /nfs/dbraw/zinc/40/42/78/494404278.db2.gz SIZMAIUCIHDAJD-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000067031590 494458409 /nfs/dbraw/zinc/45/84/09/494458409.db2.gz PSTAPTGMQWVKMH-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090689762 494494490 /nfs/dbraw/zinc/49/44/90/494494490.db2.gz FBRSTQSRFMWGEN-MSOLQXFVSA-N 1 2 370.409 3.304 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599036 494540157 /nfs/dbraw/zinc/54/01/57/494540157.db2.gz RDZYNJQZAHASLL-UHFFFAOYSA-N 1 2 359.401 3.214 20 5 FGBDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599036 494540159 /nfs/dbraw/zinc/54/01/59/494540159.db2.gz RDZYNJQZAHASLL-UHFFFAOYSA-N 1 2 359.401 3.214 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC=C(C(F)(F)F)CC1 ZINC000580310177 505730128 /nfs/dbraw/zinc/73/01/28/505730128.db2.gz XISSGWMHTRZMBU-UHFFFAOYSA-N 1 2 371.359 3.126 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1Br ZINC000092617786 494688946 /nfs/dbraw/zinc/68/89/46/494688946.db2.gz QTRAZNGSLDOJLS-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccccc2CC1 ZINC000116073617 494694656 /nfs/dbraw/zinc/69/46/56/494694656.db2.gz GWRXBDJFRRLAJE-UHFFFAOYSA-N 1 2 362.389 3.022 20 5 FGBDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092728435 494726144 /nfs/dbraw/zinc/72/61/44/494726144.db2.gz AODVTFSGDRQJDB-KRWDZBQOSA-N 1 2 366.425 3.446 20 5 FGBDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092728435 494726150 /nfs/dbraw/zinc/72/61/50/494726150.db2.gz AODVTFSGDRQJDB-KRWDZBQOSA-N 1 2 366.425 3.446 20 5 FGBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000126390438 494732805 /nfs/dbraw/zinc/73/28/05/494732805.db2.gz UDHDPACTYZUQFH-LJQANCHMSA-N 1 2 370.405 3.343 20 5 FGBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000126390438 494732813 /nfs/dbraw/zinc/73/28/13/494732813.db2.gz UDHDPACTYZUQFH-LJQANCHMSA-N 1 2 370.405 3.343 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)c1 ZINC000092047805 494769595 /nfs/dbraw/zinc/76/95/95/494769595.db2.gz MOBLWOCNDANJCW-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347357 494820798 /nfs/dbraw/zinc/82/07/98/494820798.db2.gz YCKVERUGJGCJQW-ZDUSSCGKSA-N 1 2 373.409 3.030 20 5 FGBDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347357 494820806 /nfs/dbraw/zinc/82/08/06/494820806.db2.gz YCKVERUGJGCJQW-ZDUSSCGKSA-N 1 2 373.409 3.030 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000116719238 494843586 /nfs/dbraw/zinc/84/35/86/494843586.db2.gz SJLRJDVIWMUZKZ-UHFFFAOYSA-N 1 2 358.304 3.335 20 5 FGBDLO CCCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000122581502 494998151 /nfs/dbraw/zinc/99/81/51/494998151.db2.gz MAAWRUPNKAMUIX-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000122581502 494998155 /nfs/dbraw/zinc/99/81/55/494998155.db2.gz MAAWRUPNKAMUIX-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000128003054 495030107 /nfs/dbraw/zinc/03/01/07/495030107.db2.gz VDZFKWMHXTUUDM-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000128003054 495030110 /nfs/dbraw/zinc/03/01/10/495030110.db2.gz VDZFKWMHXTUUDM-LBPRGKRZSA-N 1 2 366.443 3.303 20 5 FGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000122824705 495036864 /nfs/dbraw/zinc/03/68/64/495036864.db2.gz UNPKLOCRQBVZBS-MNOVXSKESA-N 1 2 370.247 3.274 20 5 FGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000122824705 495036868 /nfs/dbraw/zinc/03/68/68/495036868.db2.gz UNPKLOCRQBVZBS-MNOVXSKESA-N 1 2 370.247 3.274 20 5 FGBDLO CN(c1cccnn1)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118980723 495064202 /nfs/dbraw/zinc/06/42/02/495064202.db2.gz ZXOGELSZSXNMIS-UHFFFAOYSA-N 1 2 361.833 3.139 20 5 FGBDLO C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123000299 495065163 /nfs/dbraw/zinc/06/51/63/495065163.db2.gz NFCMTOMHOUUYDJ-QAPCUYQASA-N 1 2 371.441 3.093 20 5 FGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000119109229 495094723 /nfs/dbraw/zinc/09/47/23/495094723.db2.gz YRKHCUBJDWSQQK-OAHLLOKOSA-N 1 2 364.829 3.258 20 5 FGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000119109229 495094726 /nfs/dbraw/zinc/09/47/26/495094726.db2.gz YRKHCUBJDWSQQK-OAHLLOKOSA-N 1 2 364.829 3.258 20 5 FGBDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123265261 495106163 /nfs/dbraw/zinc/10/61/63/495106163.db2.gz VGCFKEOINZYHFI-NXEZZACHSA-N 1 2 356.220 3.169 20 5 FGBDLO Cc1ccc(Sc2ccc(C[NH2+]Cc3nncn3C)cc2[N+](=O)[O-])cc1 ZINC000119398837 495158571 /nfs/dbraw/zinc/15/85/71/495158571.db2.gz WRSRMXGYDAFNRQ-UHFFFAOYSA-N 1 2 369.450 3.473 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000128908372 495166938 /nfs/dbraw/zinc/16/69/38/495166938.db2.gz NLHXLXUIGJBGHV-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000128908372 495166942 /nfs/dbraw/zinc/16/69/42/495166942.db2.gz NLHXLXUIGJBGHV-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125200551 495405244 /nfs/dbraw/zinc/40/52/44/495405244.db2.gz FBEQWLCEASAQLO-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000114804277 495427745 /nfs/dbraw/zinc/42/77/45/495427745.db2.gz KYKZKVDAUJOMQW-HNNXBMFYSA-N 1 2 369.425 3.209 20 5 FGBDLO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000125583196 495465924 /nfs/dbraw/zinc/46/59/24/495465924.db2.gz OJOLSCHPXCSWGF-SNVBAGLBSA-N 1 2 356.220 3.028 20 5 FGBDLO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000125583196 495465929 /nfs/dbraw/zinc/46/59/29/495465929.db2.gz OJOLSCHPXCSWGF-SNVBAGLBSA-N 1 2 356.220 3.028 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000131192378 495504629 /nfs/dbraw/zinc/50/46/29/495504629.db2.gz GHSYHVXDJOVITN-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000131192378 495504632 /nfs/dbraw/zinc/50/46/32/495504632.db2.gz GHSYHVXDJOVITN-CXAGYDPISA-N 1 2 373.409 3.498 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000121056346 495514711 /nfs/dbraw/zinc/51/47/11/495514711.db2.gz DXKMLCWEJCMPOX-KURKYZTESA-N 1 2 373.409 3.018 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000121056346 495514713 /nfs/dbraw/zinc/51/47/13/495514713.db2.gz DXKMLCWEJCMPOX-KURKYZTESA-N 1 2 373.409 3.018 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000121056025 495514821 /nfs/dbraw/zinc/51/48/21/495514821.db2.gz DXKMLCWEJCMPOX-KZNAEPCWSA-N 1 2 373.409 3.018 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000121056025 495514824 /nfs/dbraw/zinc/51/48/24/495514824.db2.gz DXKMLCWEJCMPOX-KZNAEPCWSA-N 1 2 373.409 3.018 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000173473547 495546658 /nfs/dbraw/zinc/54/66/58/495546658.db2.gz JVKSOMFBZIHRDM-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000173473547 495546662 /nfs/dbraw/zinc/54/66/62/495546662.db2.gz JVKSOMFBZIHRDM-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO Cc1cccc(NC(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000170686511 495565663 /nfs/dbraw/zinc/56/56/63/495565663.db2.gz ZSRDWSWTAHHJRB-UHFFFAOYSA-N 1 2 368.437 3.295 20 5 FGBDLO C[N@H+](CCOCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000154685721 495695004 /nfs/dbraw/zinc/69/50/04/495695004.db2.gz SZQJLAWFHWVHAV-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[N@@H+](CCOCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000154685721 495695010 /nfs/dbraw/zinc/69/50/10/495695010.db2.gz SZQJLAWFHWVHAV-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185977691 495807123 /nfs/dbraw/zinc/80/71/23/495807123.db2.gz KVVUHGRBVCFYCW-CYBMUJFWSA-N 1 2 360.389 3.241 20 5 FGBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177382503 496038844 /nfs/dbraw/zinc/03/88/44/496038844.db2.gz MIVYTIQGXXMCEL-MRXNPFEDSA-N 1 2 367.327 3.104 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000160934854 496069618 /nfs/dbraw/zinc/06/96/18/496069618.db2.gz NHOKORWLRCDIAL-OAHLLOKOSA-N 1 2 373.434 3.395 20 5 FGBDLO COc1cc(CCNc2cc(C)[nH+]c(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000172014357 496130546 /nfs/dbraw/zinc/13/05/46/496130546.db2.gz ACPNDABBWCSFLZ-UHFFFAOYSA-N 1 2 358.398 3.242 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156214551 496189531 /nfs/dbraw/zinc/18/95/31/496189531.db2.gz NREGTNZSONFZMU-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156214551 496189533 /nfs/dbraw/zinc/18/95/33/496189533.db2.gz NREGTNZSONFZMU-GFCCVEGCSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153243947 496394366 /nfs/dbraw/zinc/39/43/66/496394366.db2.gz XSYVSDJIPMGLSF-CQSZACIVSA-N 1 2 371.412 3.139 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153243947 496394373 /nfs/dbraw/zinc/39/43/73/496394373.db2.gz XSYVSDJIPMGLSF-CQSZACIVSA-N 1 2 371.412 3.139 20 5 FGBDLO CCN(CC)c1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000181454490 496402305 /nfs/dbraw/zinc/40/23/05/496402305.db2.gz YTXUGZSYQLZVHA-UHFFFAOYSA-N 1 2 370.456 3.045 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000163311147 496496767 /nfs/dbraw/zinc/49/67/67/496496767.db2.gz JBLUDDMZAAOIDK-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000163311147 496496771 /nfs/dbraw/zinc/49/67/71/496496771.db2.gz JBLUDDMZAAOIDK-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000178692530 496543331 /nfs/dbraw/zinc/54/33/31/496543331.db2.gz KOSGULMYEJHBQB-KBPBESRZSA-N 1 2 352.398 3.291 20 5 FGBDLO CCc1nn(C)c(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000574769982 505852672 /nfs/dbraw/zinc/85/26/72/505852672.db2.gz DROXNNMADWGKHH-UHFFFAOYSA-N 1 2 354.414 3.267 20 5 FGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173201966 496590764 /nfs/dbraw/zinc/59/07/64/496590764.db2.gz ZOWLTDNYTZGFKW-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173201966 496590767 /nfs/dbraw/zinc/59/07/67/496590767.db2.gz ZOWLTDNYTZGFKW-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000185029521 496629746 /nfs/dbraw/zinc/62/97/46/496629746.db2.gz SUNAXAWIOGBGOE-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000182024453 496639411 /nfs/dbraw/zinc/63/94/11/496639411.db2.gz KLLJUQDMQCSACE-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO COc1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc([N+](=O)[O-])c1O ZINC000167768486 496706163 /nfs/dbraw/zinc/70/61/63/496706163.db2.gz FYHWIHPAFOPYEB-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO COCCc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000188199349 496715025 /nfs/dbraw/zinc/71/50/25/496715025.db2.gz XMAIZXJIBDXONA-UHFFFAOYSA-N 1 2 366.377 3.222 20 5 FGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCCNc1cccc[nH+]1 ZINC000264119721 496816370 /nfs/dbraw/zinc/81/63/70/496816370.db2.gz FEFYVSZOCBBGLF-UHFFFAOYSA-N 1 2 360.439 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277843447 496907141 /nfs/dbraw/zinc/90/71/41/496907141.db2.gz SIAYJYIEJFLRBT-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277843447 496907146 /nfs/dbraw/zinc/90/71/46/496907146.db2.gz SIAYJYIEJFLRBT-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000248366424 496984131 /nfs/dbraw/zinc/98/41/31/496984131.db2.gz SBOARVBWSDJXHR-ZJUUUORDSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000248366424 496984134 /nfs/dbraw/zinc/98/41/34/496984134.db2.gz SBOARVBWSDJXHR-ZJUUUORDSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248458020 497019472 /nfs/dbraw/zinc/01/94/72/497019472.db2.gz MRCFJCKYDYKEIB-RDTXWAMCSA-N 1 2 360.435 3.062 20 5 FGBDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248458020 497019477 /nfs/dbraw/zinc/01/94/77/497019477.db2.gz MRCFJCKYDYKEIB-RDTXWAMCSA-N 1 2 360.435 3.062 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCS[C@@H](C)CC1 ZINC000248999753 497149581 /nfs/dbraw/zinc/14/95/81/497149581.db2.gz IGUCNYKFVNZQTL-WDEREUQCSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCS[C@@H](C)CC1 ZINC000248999753 497149582 /nfs/dbraw/zinc/14/95/82/497149582.db2.gz IGUCNYKFVNZQTL-WDEREUQCSA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635536 497171215 /nfs/dbraw/zinc/17/12/15/497171215.db2.gz VBLGEWMSQUDUDZ-UONOGXRCSA-N 1 2 359.401 3.432 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635536 497171216 /nfs/dbraw/zinc/17/12/16/497171216.db2.gz VBLGEWMSQUDUDZ-UONOGXRCSA-N 1 2 359.401 3.432 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278975012 497287662 /nfs/dbraw/zinc/28/76/62/497287662.db2.gz OYXUETCEVSUCIS-UHFFFAOYSA-N 1 2 354.410 3.147 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCC2 ZINC000193076745 497296026 /nfs/dbraw/zinc/29/60/26/497296026.db2.gz OUMDBPRQOYCWBU-SFHVURJKSA-N 1 2 354.410 3.316 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000193311846 497347036 /nfs/dbraw/zinc/34/70/36/497347036.db2.gz VYXIYMIXPGFANJ-UHFFFAOYSA-N 1 2 371.441 3.178 20 5 FGBDLO COc1cccc(C2([NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000271716632 497428112 /nfs/dbraw/zinc/42/81/12/497428112.db2.gz PABLNVUDMGHZGZ-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000279617663 497487540 /nfs/dbraw/zinc/48/75/40/497487540.db2.gz YAAAZMZSPQHVSQ-OLZOCXBDSA-N 1 2 352.398 3.495 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268059412 497670478 /nfs/dbraw/zinc/67/04/78/497670478.db2.gz SSCJXMKSVWUTPU-UKRRQHHQSA-N 1 2 357.414 3.277 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000194511432 497691537 /nfs/dbraw/zinc/69/15/37/497691537.db2.gz CALWVIXPUGDZFW-UHFFFAOYSA-N 1 2 371.378 3.311 20 5 FGBDLO CSc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272680228 497699305 /nfs/dbraw/zinc/69/93/05/497699305.db2.gz RRUKPALCYSGCCR-CYBMUJFWSA-N 1 2 364.427 3.148 20 5 FGBDLO CSc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272680228 497699310 /nfs/dbraw/zinc/69/93/10/497699310.db2.gz RRUKPALCYSGCCR-CYBMUJFWSA-N 1 2 364.427 3.148 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000280321827 497718979 /nfs/dbraw/zinc/71/89/79/497718979.db2.gz GUIVAUJXEGXGLW-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000280321827 497718983 /nfs/dbraw/zinc/71/89/83/497718983.db2.gz GUIVAUJXEGXGLW-CQSZACIVSA-N 1 2 361.423 3.483 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000277077457 497735302 /nfs/dbraw/zinc/73/53/02/497735302.db2.gz TXMHDUQXXFQKSM-UHFFFAOYSA-N 1 2 373.457 3.018 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246495124 497753286 /nfs/dbraw/zinc/75/32/86/497753286.db2.gz DUYWINKFRAUXEC-BFQNTYOBSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246495124 497753291 /nfs/dbraw/zinc/75/32/91/497753291.db2.gz DUYWINKFRAUXEC-BFQNTYOBSA-N 1 2 367.833 3.076 20 5 FGBDLO CCc1cc(NC[C@H](O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301058165 497932907 /nfs/dbraw/zinc/93/29/07/497932907.db2.gz BFCURNJIUGFDPP-HNNXBMFYSA-N 1 2 354.366 3.353 20 5 FGBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569537404 505957365 /nfs/dbraw/zinc/95/73/65/505957365.db2.gz DESIZKVWHKOXMP-AWEZNQCLSA-N 1 2 359.451 3.104 20 5 FGBDLO Cc1nn(C)c(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)c1[N+](=O)[O-] ZINC000301260320 498025665 /nfs/dbraw/zinc/02/56/65/498025665.db2.gz GRLLPOLRYQTZMS-HNNXBMFYSA-N 1 2 366.425 3.411 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(CNc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000285285169 498041563 /nfs/dbraw/zinc/04/15/63/498041563.db2.gz UXIAMHSWJFCDCU-UHFFFAOYSA-N 1 2 363.364 3.317 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000581374432 505973970 /nfs/dbraw/zinc/97/39/70/505973970.db2.gz MNPSMXULWUSEPH-XHDPSFHLSA-N 1 2 360.439 3.076 20 5 FGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000301433407 498108091 /nfs/dbraw/zinc/10/80/91/498108091.db2.gz HZTLQVWRLFAMNX-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000285709167 498177483 /nfs/dbraw/zinc/17/74/83/498177483.db2.gz SDTVINZHVKZPOJ-JTQLQIEISA-N 1 2 361.348 3.243 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000301648281 498205692 /nfs/dbraw/zinc/20/56/92/498205692.db2.gz OUBXZEPKXJLGAD-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO Cc1nc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301678659 498220186 /nfs/dbraw/zinc/22/01/86/498220186.db2.gz UGQGXVWZZOIXON-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1nc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301678659 498220192 /nfs/dbraw/zinc/22/01/92/498220192.db2.gz UGQGXVWZZOIXON-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO C[C@]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000569750968 506007901 /nfs/dbraw/zinc/00/79/01/506007901.db2.gz UVCQAOQOLLSWQB-MRXNPFEDSA-N 1 2 367.327 3.104 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000289982327 498379843 /nfs/dbraw/zinc/37/98/43/498379843.db2.gz XXBQDGFZHGHJKA-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1[C@@H]1CCCO1 ZINC000289982327 498379849 /nfs/dbraw/zinc/37/98/49/498379849.db2.gz XXBQDGFZHGHJKA-GOEBONIOSA-N 1 2 358.398 3.034 20 5 FGBDLO Cc1cc(N(C)C[C@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302046762 498384342 /nfs/dbraw/zinc/38/43/42/498384342.db2.gz NKFCFBCLSWXLQD-NVXWUHKLSA-N 1 2 356.426 3.348 20 5 FGBDLO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302220451 498448720 /nfs/dbraw/zinc/44/87/20/498448720.db2.gz MDBYAIUVQNHVRW-DZGCQCFKSA-N 1 2 367.331 3.050 20 5 FGBDLO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302220451 498448724 /nfs/dbraw/zinc/44/87/24/498448724.db2.gz MDBYAIUVQNHVRW-DZGCQCFKSA-N 1 2 367.331 3.050 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000365471884 498484280 /nfs/dbraw/zinc/48/42/80/498484280.db2.gz LUZDAXDEYIVWAJ-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362822219 498559239 /nfs/dbraw/zinc/55/92/39/498559239.db2.gz IYFJFFWROFBXAY-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362822219 498559246 /nfs/dbraw/zinc/55/92/46/498559246.db2.gz IYFJFFWROFBXAY-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cs1 ZINC000365852578 498670861 /nfs/dbraw/zinc/67/08/61/498670861.db2.gz AGSWUDTWCKIXBU-UHFFFAOYSA-N 1 2 350.415 3.365 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303564383 498691464 /nfs/dbraw/zinc/69/14/64/498691464.db2.gz APXYUTQOFDSPEK-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303564383 498691467 /nfs/dbraw/zinc/69/14/67/498691467.db2.gz APXYUTQOFDSPEK-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000317893237 498794574 /nfs/dbraw/zinc/79/45/74/498794574.db2.gz QMMWSFQMYNZZML-LBPRGKRZSA-N 1 2 371.231 3.132 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000317893237 498794575 /nfs/dbraw/zinc/79/45/75/498794575.db2.gz QMMWSFQMYNZZML-LBPRGKRZSA-N 1 2 371.231 3.132 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CC(F)F)CC1 ZINC000287740491 498852743 /nfs/dbraw/zinc/85/27/43/498852743.db2.gz SNXOZINEEHWXSI-UHFFFAOYSA-N 1 2 369.412 3.011 20 5 FGBDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])c(C)n4)C3)[nH+]c2c1 ZINC000295141210 498923485 /nfs/dbraw/zinc/92/34/85/498923485.db2.gz ZNWUCJFOEGNRFH-CYBMUJFWSA-N 1 2 352.398 3.262 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000364042568 499096832 /nfs/dbraw/zinc/09/68/32/499096832.db2.gz ORIUONTVOQPAGN-DLBZAZTESA-N 1 2 370.453 3.362 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369799248 499130935 /nfs/dbraw/zinc/13/09/35/499130935.db2.gz LDYFEVAFUKZBHA-CQSZACIVSA-N 1 2 357.414 3.357 20 5 FGBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079836 499145254 /nfs/dbraw/zinc/14/52/54/499145254.db2.gz IEKHQQMICSQVAZ-ZFWWWQNUSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367079836 499145257 /nfs/dbraw/zinc/14/52/57/499145257.db2.gz IEKHQQMICSQVAZ-ZFWWWQNUSA-N 1 2 368.397 3.239 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2c2cccc(Br)c2)n1 ZINC000369908110 499150064 /nfs/dbraw/zinc/15/00/64/499150064.db2.gz JLMNDAVWGUOSAF-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]2c2cccc(Br)c2)n1 ZINC000369908110 499150065 /nfs/dbraw/zinc/15/00/65/499150065.db2.gz JLMNDAVWGUOSAF-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1cccnc1OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000368069471 499261375 /nfs/dbraw/zinc/26/13/75/499261375.db2.gz GINQYEHUMYEYBL-UHFFFAOYSA-N 1 2 368.393 3.483 20 5 FGBDLO Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371599628 499346332 /nfs/dbraw/zinc/34/63/32/499346332.db2.gz XYPJXSLEEUVEBQ-HNNXBMFYSA-N 1 2 350.382 3.425 20 5 FGBDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019215 499357765 /nfs/dbraw/zinc/35/77/65/499357765.db2.gz OLWVVHJCWVXDFK-HIFRSBDPSA-N 1 2 368.397 3.239 20 5 FGBDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019215 499357768 /nfs/dbraw/zinc/35/77/68/499357768.db2.gz OLWVVHJCWVXDFK-HIFRSBDPSA-N 1 2 368.397 3.239 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)c1 ZINC000369019382 499357920 /nfs/dbraw/zinc/35/79/20/499357920.db2.gz PNCJGGLZSIMILT-OAHLLOKOSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)c1 ZINC000369019382 499357922 /nfs/dbraw/zinc/35/79/22/499357922.db2.gz PNCJGGLZSIMILT-OAHLLOKOSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)c1 ZINC000373565692 499477168 /nfs/dbraw/zinc/47/71/68/499477168.db2.gz DXKYHIICENJPAW-INIZCTEOSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)c1 ZINC000373565692 499477169 /nfs/dbraw/zinc/47/71/69/499477169.db2.gz DXKYHIICENJPAW-INIZCTEOSA-N 1 2 371.372 3.423 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375339464 499508697 /nfs/dbraw/zinc/50/86/97/499508697.db2.gz ZUEWPKMNSFJMQQ-CQSZACIVSA-N 1 2 372.400 3.278 20 5 FGBDLO CCn1cc[nH+]c1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000385455231 499548238 /nfs/dbraw/zinc/54/82/38/499548238.db2.gz JYQXSTLTHMTGTH-UHFFFAOYSA-N 1 2 372.166 3.028 20 5 FGBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411295723 499723085 /nfs/dbraw/zinc/72/30/85/499723085.db2.gz RCFVUUNZCFCVGR-QGZVFWFLSA-N 1 2 373.409 3.152 20 5 FGBDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411295723 499723086 /nfs/dbraw/zinc/72/30/86/499723086.db2.gz RCFVUUNZCFCVGR-QGZVFWFLSA-N 1 2 373.409 3.152 20 5 FGBDLO CC(C)C(=O)NC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413107378 499914616 /nfs/dbraw/zinc/91/46/16/499914616.db2.gz KSGTZXQYVQGBOA-CQSZACIVSA-N 1 2 356.426 3.132 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](c4nncn4C4CC4)C3)c2c1 ZINC000413218711 499928435 /nfs/dbraw/zinc/92/84/35/499928435.db2.gz JQLXWKZCVHNWQQ-CQSZACIVSA-N 1 2 364.409 3.453 20 5 FGBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000413326208 499941603 /nfs/dbraw/zinc/94/16/03/499941603.db2.gz KTDLUJCTCPTVAB-BRWVUGGUSA-N 1 2 353.382 3.170 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOCC1CCCC1 ZINC000413343479 499943264 /nfs/dbraw/zinc/94/32/64/499943264.db2.gz UYGXDELAUDRWQZ-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO CCC(C)(C)OCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413379040 499946989 /nfs/dbraw/zinc/94/69/89/499946989.db2.gz ZWLWGIJDFBSVNH-UHFFFAOYSA-N 1 2 351.447 3.044 20 5 FGBDLO CC(=O)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000421219622 499994302 /nfs/dbraw/zinc/99/43/02/499994302.db2.gz UXPSRGDZPRMSHA-UHFFFAOYSA-N 1 2 370.405 3.209 20 5 FGBDLO COc1ccc(C[NH+]2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000429392405 500068401 /nfs/dbraw/zinc/06/84/01/500068401.db2.gz FWPUWPQVTHZEEI-KBPBESRZSA-N 1 2 363.458 3.071 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425437216 500106199 /nfs/dbraw/zinc/10/61/99/500106199.db2.gz YBXMBWMVJHLXHF-HNNXBMFYSA-N 1 2 357.248 3.342 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425437216 500106203 /nfs/dbraw/zinc/10/62/03/500106203.db2.gz YBXMBWMVJHLXHF-HNNXBMFYSA-N 1 2 357.248 3.342 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000430238689 500214036 /nfs/dbraw/zinc/21/40/36/500214036.db2.gz ILPMIMCRZDNYMF-HNNXBMFYSA-N 1 2 361.373 3.181 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000430238689 500214038 /nfs/dbraw/zinc/21/40/38/500214038.db2.gz ILPMIMCRZDNYMF-HNNXBMFYSA-N 1 2 361.373 3.181 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430250604 500215070 /nfs/dbraw/zinc/21/50/70/500215070.db2.gz AUPLKMAMRQTCQF-ZRGWGRIASA-N 1 2 364.442 3.152 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430250604 500215071 /nfs/dbraw/zinc/21/50/71/500215071.db2.gz AUPLKMAMRQTCQF-ZRGWGRIASA-N 1 2 364.442 3.152 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426805919 500323289 /nfs/dbraw/zinc/32/32/89/500323289.db2.gz HBJHOOAPTFIOEV-UHFFFAOYSA-N 1 2 361.833 3.171 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000428174943 500476792 /nfs/dbraw/zinc/47/67/92/500476792.db2.gz GSMIARQGPGYUJB-LBPRGKRZSA-N 1 2 362.380 3.338 20 5 FGBDLO CCOCCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447801304 500664629 /nfs/dbraw/zinc/66/46/29/500664629.db2.gz BPXSDCSQKOYDJU-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO Cc1ccc2c(c1)CCN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000447802475 500665009 /nfs/dbraw/zinc/66/50/09/500665009.db2.gz LDNDDTJZAYRIOS-UHFFFAOYSA-N 1 2 367.449 3.298 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCc2c1cccc2O ZINC000447802597 500665490 /nfs/dbraw/zinc/66/54/90/500665490.db2.gz LRRZNTDVTZPIIL-QGZVFWFLSA-N 1 2 369.421 3.232 20 5 FGBDLO CCOc1cc(C[N@H+](CCOC)Cc2cncs2)ccc1[N+](=O)[O-] ZINC000447851398 500678106 /nfs/dbraw/zinc/67/81/06/500678106.db2.gz ZVYXDGCKDQFYPY-UHFFFAOYSA-N 1 2 351.428 3.099 20 5 FGBDLO CCOc1cc(C[N@@H+](CCOC)Cc2cncs2)ccc1[N+](=O)[O-] ZINC000447851398 500678111 /nfs/dbraw/zinc/67/81/11/500678111.db2.gz ZVYXDGCKDQFYPY-UHFFFAOYSA-N 1 2 351.428 3.099 20 5 FGBDLO O=C1[C@@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1CC(F)(F)F ZINC000447889331 500685855 /nfs/dbraw/zinc/68/58/55/500685855.db2.gz HHLPHMZQOTYREE-HNNXBMFYSA-N 1 2 371.359 3.113 20 5 FGBDLO O=C1[C@@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1CC(F)(F)F ZINC000447889331 500685857 /nfs/dbraw/zinc/68/58/57/500685857.db2.gz HHLPHMZQOTYREE-HNNXBMFYSA-N 1 2 371.359 3.113 20 5 FGBDLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000443330747 500710331 /nfs/dbraw/zinc/71/03/31/500710331.db2.gz CIFBOGGFIBHPTH-KRWDZBQOSA-N 1 2 373.453 3.124 20 5 FGBDLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000443330747 500710333 /nfs/dbraw/zinc/71/03/33/500710333.db2.gz CIFBOGGFIBHPTH-KRWDZBQOSA-N 1 2 373.453 3.124 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ccccn4)CC3)nc2c1 ZINC000437881012 500711269 /nfs/dbraw/zinc/71/12/69/500711269.db2.gz IPEQLZPBXMFMQR-UHFFFAOYSA-N 1 2 354.366 3.174 20 5 FGBDLO C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448880289 500859552 /nfs/dbraw/zinc/85/95/52/500859552.db2.gz GUIPAOIJLAFYSP-LBPRGKRZSA-N 1 2 366.381 3.200 20 5 FGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444615787 500867412 /nfs/dbraw/zinc/86/74/12/500867412.db2.gz ZLAAUERXULUFTB-UHFFFAOYSA-N 1 2 360.414 3.025 20 5 FGBDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000444704607 500883258 /nfs/dbraw/zinc/88/32/58/500883258.db2.gz AEWQHLPYJIUTJR-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000444704607 500883260 /nfs/dbraw/zinc/88/32/60/500883260.db2.gz AEWQHLPYJIUTJR-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO CS[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000450549576 501151272 /nfs/dbraw/zinc/15/12/72/501151272.db2.gz KRUPTJYKEHHQRU-OAHLLOKOSA-N 1 2 362.455 3.288 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000446715549 501155910 /nfs/dbraw/zinc/15/59/10/501155910.db2.gz TVCZDZFIPNRVBI-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000446715549 501155911 /nfs/dbraw/zinc/15/59/11/501155911.db2.gz TVCZDZFIPNRVBI-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450650938 501177004 /nfs/dbraw/zinc/17/70/04/501177004.db2.gz DEMFCNWBLXHUBG-IAGOWNOFSA-N 1 2 372.425 3.102 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598948162 506239856 /nfs/dbraw/zinc/23/98/56/506239856.db2.gz QCKIYPSZRKDCLO-GFCCVEGCSA-N 1 2 360.439 3.038 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000450313772 501231212 /nfs/dbraw/zinc/23/12/12/501231212.db2.gz LXIDWFOAPLQINL-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402686 501284494 /nfs/dbraw/zinc/28/44/94/501284494.db2.gz BYYTWMWHTUNTBD-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402686 501284495 /nfs/dbraw/zinc/28/44/95/501284495.db2.gz BYYTWMWHTUNTBD-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455459060 501308492 /nfs/dbraw/zinc/30/84/92/501308492.db2.gz AUKBYRHFBGVSPD-ZBFHGGJFSA-N 1 2 371.441 3.461 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000455466716 501310647 /nfs/dbraw/zinc/31/06/47/501310647.db2.gz FSTLDLXOHAQZEA-KMFMINBZSA-N 1 2 369.425 3.386 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000453374235 501321934 /nfs/dbraw/zinc/32/19/34/501321934.db2.gz VZUMHNODUIRNMV-LBPRGKRZSA-N 1 2 368.397 3.024 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000453573422 501351191 /nfs/dbraw/zinc/35/11/91/501351191.db2.gz HACQVPIAWWWRHK-IHWYPQMZSA-N 1 2 360.364 3.103 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456293825 501490194 /nfs/dbraw/zinc/49/01/94/501490194.db2.gz XNVLECHEDKAFHX-CRAIPNDOSA-N 1 2 352.394 3.041 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1Br ZINC000602673917 506256909 /nfs/dbraw/zinc/25/69/09/506256909.db2.gz DKWMQBRRIVNOCP-LLVKDONJSA-N 1 2 361.261 3.298 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1Br ZINC000602673917 506256914 /nfs/dbraw/zinc/25/69/14/506256914.db2.gz DKWMQBRRIVNOCP-LLVKDONJSA-N 1 2 361.261 3.298 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456417014 501521805 /nfs/dbraw/zinc/52/18/05/501521805.db2.gz KENFBAOYBMZDDC-GXSJLCMTSA-N 1 2 366.830 3.359 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C)ccc2n1[C@H](C)CO ZINC000456711458 501583954 /nfs/dbraw/zinc/58/39/54/501583954.db2.gz LZFQAEDKUDCUAP-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCSC2)C1 ZINC000456862196 501611656 /nfs/dbraw/zinc/61/16/56/501611656.db2.gz GSYARUWEOLXEGC-GOSISDBHSA-N 1 2 372.450 3.140 20 5 FGBDLO COc1cc(C[NH+]2CC(COc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000459638223 501691007 /nfs/dbraw/zinc/69/10/07/501691007.db2.gz YKRIFKCOWMPFOQ-UHFFFAOYSA-N 1 2 358.394 3.123 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCC(F)(F)C1 ZINC000485419607 501816654 /nfs/dbraw/zinc/81/66/54/501816654.db2.gz ZBPNUMFFBQFBNR-AWEZNQCLSA-N 1 2 355.385 3.274 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Br ZINC000602726632 506275882 /nfs/dbraw/zinc/27/58/82/506275882.db2.gz WWTDZFQHFZGNJY-TVQRCGJNSA-N 1 2 361.261 3.013 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Br ZINC000602726632 506275885 /nfs/dbraw/zinc/27/58/85/506275885.db2.gz WWTDZFQHFZGNJY-TVQRCGJNSA-N 1 2 361.261 3.013 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481740426 501871106 /nfs/dbraw/zinc/87/11/06/501871106.db2.gz VFCOMOQTYDZANZ-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481740426 501871112 /nfs/dbraw/zinc/87/11/12/501871112.db2.gz VFCOMOQTYDZANZ-CQSZACIVSA-N 1 2 351.406 3.469 20 5 FGBDLO COC(=O)c1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)cc(C)c1[N+](=O)[O-] ZINC000474782094 501951144 /nfs/dbraw/zinc/95/11/44/501951144.db2.gz DUNICJPANTYZKP-UHFFFAOYSA-N 1 2 373.409 3.347 20 5 FGBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468122176 501964448 /nfs/dbraw/zinc/96/44/48/501964448.db2.gz UXRVEMMJXVBDOB-SNVBAGLBSA-N 1 2 361.348 3.091 20 5 FGBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468122176 501964453 /nfs/dbraw/zinc/96/44/53/501964453.db2.gz UXRVEMMJXVBDOB-SNVBAGLBSA-N 1 2 361.348 3.091 20 5 FGBDLO CCN1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475347328 502143762 /nfs/dbraw/zinc/14/37/62/502143762.db2.gz HQNRTTIXFFTZKN-GOSISDBHSA-N 1 2 357.458 3.320 20 5 FGBDLO CCN1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475347328 502143765 /nfs/dbraw/zinc/14/37/65/502143765.db2.gz HQNRTTIXFFTZKN-GOSISDBHSA-N 1 2 357.458 3.320 20 5 FGBDLO CO[C@@H](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(F)(F)F ZINC000468736327 502164191 /nfs/dbraw/zinc/16/41/91/502164191.db2.gz BMVFCFYVCSCMQM-ZDUSSCGKSA-N 1 2 370.331 3.161 20 5 FGBDLO CC(C)(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)n1cc([N+](=O)[O-])cn1 ZINC000482751413 502170823 /nfs/dbraw/zinc/17/08/23/502170823.db2.gz OTPNMRCHIOALRB-UHFFFAOYSA-N 1 2 367.365 3.352 20 5 FGBDLO Cc1noc(C2(C)CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599066947 506307032 /nfs/dbraw/zinc/30/70/32/506307032.db2.gz VFGLGZCNOOLRGC-UHFFFAOYSA-N 1 2 353.382 3.393 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483975671 502537975 /nfs/dbraw/zinc/53/79/75/502537975.db2.gz KOCUVRVRRLJZCJ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483975671 502537979 /nfs/dbraw/zinc/53/79/79/502537979.db2.gz KOCUVRVRRLJZCJ-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000602841644 506321940 /nfs/dbraw/zinc/32/19/40/506321940.db2.gz UMVHFXIUZHVBIY-MRXNPFEDSA-N 1 2 354.414 3.203 20 5 FGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000602841644 506321943 /nfs/dbraw/zinc/32/19/43/506321943.db2.gz UMVHFXIUZHVBIY-MRXNPFEDSA-N 1 2 354.414 3.203 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncccc2F)CC1 ZINC000470174592 502694917 /nfs/dbraw/zinc/69/49/17/502694917.db2.gz UHJHAYLSHYATLW-QINSGFPZSA-N 1 2 356.401 3.354 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481211928 502785829 /nfs/dbraw/zinc/78/58/29/502785829.db2.gz OPVYXQBNASHVMT-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO CC[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000489006475 502858545 /nfs/dbraw/zinc/85/85/45/502858545.db2.gz ZXPLNUCZOOCBOF-ZTFGCOKTSA-N 1 2 368.437 3.330 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513266739 502892650 /nfs/dbraw/zinc/89/26/50/502892650.db2.gz LYRPLHSIADHFFC-MRVPVSSYSA-N 1 2 370.743 3.211 20 5 FGBDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccncc1F ZINC000509444895 502905094 /nfs/dbraw/zinc/90/50/94/502905094.db2.gz XFBZAFGBCDKEFN-ZDUSSCGKSA-N 1 2 360.389 3.134 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505840952 502997245 /nfs/dbraw/zinc/99/72/45/502997245.db2.gz SJYWSIAUVIBERZ-INIZCTEOSA-N 1 2 369.421 3.243 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505840952 502997250 /nfs/dbraw/zinc/99/72/50/502997250.db2.gz SJYWSIAUVIBERZ-INIZCTEOSA-N 1 2 369.421 3.243 20 5 FGBDLO Cc1c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000513989773 503062161 /nfs/dbraw/zinc/06/21/61/503062161.db2.gz OKWGHEHRQAOGPN-MRXNPFEDSA-N 1 2 359.813 3.343 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513998380 503064334 /nfs/dbraw/zinc/06/43/34/503064334.db2.gz BIXADHSEMSXWAE-QGZVFWFLSA-N 1 2 359.813 3.343 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000514080985 503082334 /nfs/dbraw/zinc/08/23/34/503082334.db2.gz AAQUYCXRFNTBED-SFHVURJKSA-N 1 2 352.394 3.216 20 5 FGBDLO COc1cccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000498314482 503156338 /nfs/dbraw/zinc/15/63/38/503156338.db2.gz DEMAVKWFBIVPNZ-ZDUSSCGKSA-N 1 2 366.377 3.280 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000490363836 503162173 /nfs/dbraw/zinc/16/21/73/503162173.db2.gz HURLSKKCANLNHM-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000490363836 503162176 /nfs/dbraw/zinc/16/21/76/503162176.db2.gz HURLSKKCANLNHM-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1C ZINC000602927073 506356156 /nfs/dbraw/zinc/35/61/56/506356156.db2.gz VZQFGOMXXHOVSL-UHFFFAOYSA-N 1 2 350.394 3.208 20 5 FGBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1C ZINC000602927073 506356161 /nfs/dbraw/zinc/35/61/61/506356161.db2.gz VZQFGOMXXHOVSL-UHFFFAOYSA-N 1 2 350.394 3.208 20 5 FGBDLO CCNc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000514983534 503241392 /nfs/dbraw/zinc/24/13/92/503241392.db2.gz VJUYWWZVEMBNHV-UHFFFAOYSA-N 1 2 351.366 3.465 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511137310 503266017 /nfs/dbraw/zinc/26/60/17/503266017.db2.gz LMPDFLHRRRQIAW-CYBMUJFWSA-N 1 2 371.393 3.313 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511137310 503266022 /nfs/dbraw/zinc/26/60/22/503266022.db2.gz LMPDFLHRRRQIAW-CYBMUJFWSA-N 1 2 371.393 3.313 20 5 FGBDLO C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000491960825 503340533 /nfs/dbraw/zinc/34/05/33/503340533.db2.gz RHEDUSVBPUIKIQ-ZDUSSCGKSA-N 1 2 366.381 3.117 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492579564 503375479 /nfs/dbraw/zinc/37/54/79/503375479.db2.gz ASNLFEILCJRHOF-CQSZACIVSA-N 1 2 357.401 3.155 20 5 FGBDLO CCOc1cc(C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492579564 503375481 /nfs/dbraw/zinc/37/54/81/503375481.db2.gz ASNLFEILCJRHOF-CQSZACIVSA-N 1 2 357.401 3.155 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062650 506369125 /nfs/dbraw/zinc/36/91/25/506369125.db2.gz QJSPDPGVZAFGNT-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062650 506369134 /nfs/dbraw/zinc/36/91/34/506369134.db2.gz QJSPDPGVZAFGNT-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963525 506369263 /nfs/dbraw/zinc/36/92/63/506369263.db2.gz XIYJSXRVTZRMBC-HNNXBMFYSA-N 1 2 355.316 3.006 20 5 FGBDLO Cc1c(CC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000493209837 503413299 /nfs/dbraw/zinc/41/32/99/503413299.db2.gz ZYGIUUHAJPGXFT-LJQANCHMSA-N 1 2 364.405 3.417 20 5 FGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(C)C ZINC000508745941 503556175 /nfs/dbraw/zinc/55/61/75/503556175.db2.gz HYTDVSFFRMQLRZ-UHFFFAOYSA-N 1 2 362.382 3.247 20 5 FGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(C)C ZINC000508745941 503556178 /nfs/dbraw/zinc/55/61/78/503556178.db2.gz HYTDVSFFRMQLRZ-UHFFFAOYSA-N 1 2 362.382 3.247 20 5 FGBDLO CCOc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000546308736 503706943 /nfs/dbraw/zinc/70/69/43/503706943.db2.gz MBZZPNLDUYDKBO-UHFFFAOYSA-N 1 2 365.349 3.282 20 5 FGBDLO C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000540346188 503745605 /nfs/dbraw/zinc/74/56/05/503745605.db2.gz OGEJFYNBIPBOLJ-AWEZNQCLSA-N 1 2 365.393 3.341 20 5 FGBDLO CCc1cc(NCCCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540391679 503756680 /nfs/dbraw/zinc/75/66/80/503756680.db2.gz IHUVUCBZXQRZFL-UHFFFAOYSA-N 1 2 366.425 3.125 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533096 503779417 /nfs/dbraw/zinc/77/94/17/503779417.db2.gz LILRLKOCPDHCSS-IAQYHMDHSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533096 503779420 /nfs/dbraw/zinc/77/94/20/503779420.db2.gz LILRLKOCPDHCSS-IAQYHMDHSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000540477244 503783078 /nfs/dbraw/zinc/78/30/78/503783078.db2.gz RDFWDFRGLDZKOT-GFCCVEGCSA-N 1 2 363.439 3.396 20 5 FGBDLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1 ZINC000544025441 503976731 /nfs/dbraw/zinc/97/67/31/503976731.db2.gz JKIKMZXHFCUCMG-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO Cc1c(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000518475605 503996447 /nfs/dbraw/zinc/99/64/47/503996447.db2.gz YLMMKNQIKNVQIZ-UHFFFAOYSA-N 1 2 352.398 3.039 20 5 FGBDLO COc1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000519770017 504333252 /nfs/dbraw/zinc/33/32/52/504333252.db2.gz JJSGMJJZDFMOKH-UHFFFAOYSA-N 1 2 368.393 3.328 20 5 FGBDLO COc1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000519770017 504333257 /nfs/dbraw/zinc/33/32/57/504333257.db2.gz JJSGMJJZDFMOKH-UHFFFAOYSA-N 1 2 368.393 3.328 20 5 FGBDLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000542166765 504389657 /nfs/dbraw/zinc/38/96/57/504389657.db2.gz ZIDDKDZBNTZTQJ-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000542196295 504401494 /nfs/dbraw/zinc/40/14/94/504401494.db2.gz AWEZSKOUERXLLR-UHFFFAOYSA-N 1 2 373.372 3.463 20 5 FGBDLO O=C(NC1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535634552 504491013 /nfs/dbraw/zinc/49/10/13/504491013.db2.gz BUCAWVMPXSGLCU-UHFFFAOYSA-N 1 2 350.325 3.088 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(N3CCCC3)nc2)C2CC2)c1 ZINC000535785892 504544652 /nfs/dbraw/zinc/54/46/52/504544652.db2.gz KYZUBKPRABZNOM-UHFFFAOYSA-N 1 2 353.426 3.150 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(N3CCCC3)nc2)C2CC2)c1 ZINC000535785892 504544660 /nfs/dbraw/zinc/54/46/60/504544660.db2.gz KYZUBKPRABZNOM-UHFFFAOYSA-N 1 2 353.426 3.150 20 5 FGBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793225 504545691 /nfs/dbraw/zinc/54/56/91/504545691.db2.gz SBGRZNFOKPYLKZ-VXGBXAGGSA-N 1 2 357.385 3.341 20 5 FGBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793225 504545696 /nfs/dbraw/zinc/54/56/96/504545696.db2.gz SBGRZNFOKPYLKZ-VXGBXAGGSA-N 1 2 357.385 3.341 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000539415498 504563792 /nfs/dbraw/zinc/56/37/92/504563792.db2.gz DUGFEVKFYAZBME-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1[nH]ncc1Br ZINC000532224390 504579708 /nfs/dbraw/zinc/57/97/08/504579708.db2.gz QWFJLKNOCGIWIO-JTQLQIEISA-N 1 2 353.220 3.191 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000565056331 504783699 /nfs/dbraw/zinc/78/36/99/504783699.db2.gz HFBOBTKZTGCLEY-UHFFFAOYSA-N 1 2 370.331 3.396 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000556557374 504904415 /nfs/dbraw/zinc/90/44/15/504904415.db2.gz XLPGXUSBHGJRNN-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000556557374 504904418 /nfs/dbraw/zinc/90/44/18/504904418.db2.gz XLPGXUSBHGJRNN-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO CSc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1[N+](=O)[O-] ZINC000553635619 504968853 /nfs/dbraw/zinc/96/88/53/504968853.db2.gz PJTIWLKQFIYBNL-UHFFFAOYSA-N 1 2 369.406 3.209 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccc(F)cc3)co2)cc1 ZINC000554636225 505229050 /nfs/dbraw/zinc/22/90/50/505229050.db2.gz RXDUPYXKJTUYNU-KRWDZBQOSA-N 1 2 357.341 3.212 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cn2c1 ZINC000555116713 505354716 /nfs/dbraw/zinc/35/47/16/505354716.db2.gz HGCPVQNKHZQCNA-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(Cc2cc(O)ccc2[N+](=O)[O-])C3)cc1 ZINC000555461107 505436610 /nfs/dbraw/zinc/43/66/10/505436610.db2.gz NULHYRVGKUBXAJ-UHFFFAOYSA-N 1 2 364.405 3.353 20 5 FGBDLO CC(C)CCn1ccc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552280678 505449252 /nfs/dbraw/zinc/44/92/52/505449252.db2.gz POARHHRTJDDAGY-GOSISDBHSA-N 1 2 368.441 3.194 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000558869405 505515665 /nfs/dbraw/zinc/51/56/65/505515665.db2.gz LZXBDOOBHMNGMH-UHFFFAOYSA-N 1 2 373.409 3.286 20 5 FGBDLO CCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559049608 505557889 /nfs/dbraw/zinc/55/78/89/505557889.db2.gz ONFVQYMYWJDYQJ-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO CCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559049608 505557892 /nfs/dbraw/zinc/55/78/92/505557892.db2.gz ONFVQYMYWJDYQJ-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591490 506517902 /nfs/dbraw/zinc/51/79/02/506517902.db2.gz UWODWMJOJGBMLA-OCCSQVGLSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591490 506517909 /nfs/dbraw/zinc/51/79/09/506517909.db2.gz UWODWMJOJGBMLA-OCCSQVGLSA-N 1 2 374.441 3.271 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000599660058 506560149 /nfs/dbraw/zinc/56/01/49/506560149.db2.gz MBFKJPJVFQCCML-UHFFFAOYSA-N 1 2 350.422 3.394 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000599660058 506560155 /nfs/dbraw/zinc/56/01/55/506560155.db2.gz MBFKJPJVFQCCML-UHFFFAOYSA-N 1 2 350.422 3.394 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCOc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC000599688185 506583094 /nfs/dbraw/zinc/58/30/94/506583094.db2.gz WOEZAVNNJHXCJY-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCOc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC000599688185 506583103 /nfs/dbraw/zinc/58/31/03/506583103.db2.gz WOEZAVNNJHXCJY-UHFFFAOYSA-N 1 2 362.357 3.016 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000589653501 506622274 /nfs/dbraw/zinc/62/22/74/506622274.db2.gz HAWHNTOZCFQOOK-UHFFFAOYSA-N 1 2 372.450 3.482 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599829275 506661840 /nfs/dbraw/zinc/66/18/40/506661840.db2.gz DZWNWIAOTDZMDA-ZDUSSCGKSA-N 1 2 366.381 3.209 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590053126 506717907 /nfs/dbraw/zinc/71/79/07/506717907.db2.gz LWKJEBKUKBKUST-MJGOQNOKSA-N 1 2 370.405 3.156 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590053126 506717914 /nfs/dbraw/zinc/71/79/14/506717914.db2.gz LWKJEBKUKBKUST-MJGOQNOKSA-N 1 2 370.405 3.156 20 5 FGBDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609145548 506790845 /nfs/dbraw/zinc/79/08/45/506790845.db2.gz IDRVABLEYBGTJF-CYBMUJFWSA-N 1 2 356.378 3.417 20 5 FGBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609145548 506790851 /nfs/dbraw/zinc/79/08/51/506790851.db2.gz IDRVABLEYBGTJF-CYBMUJFWSA-N 1 2 356.378 3.417 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1c1ccncc1 ZINC000590369968 506805046 /nfs/dbraw/zinc/80/50/46/506805046.db2.gz BMLNWHOCIQDYFP-GOSISDBHSA-N 1 2 355.394 3.344 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1c1ccncc1 ZINC000590369968 506805053 /nfs/dbraw/zinc/80/50/53/506805053.db2.gz BMLNWHOCIQDYFP-GOSISDBHSA-N 1 2 355.394 3.344 20 5 FGBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379624 506807194 /nfs/dbraw/zinc/80/71/94/506807194.db2.gz XNGQAMILRWSOLI-UHFFFAOYSA-N 1 2 363.377 3.260 20 5 FGBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379624 506807197 /nfs/dbraw/zinc/80/71/97/506807197.db2.gz XNGQAMILRWSOLI-UHFFFAOYSA-N 1 2 363.377 3.260 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000609191936 506808301 /nfs/dbraw/zinc/80/83/01/506808301.db2.gz NCGXVFZSHZWSFB-CYBMUJFWSA-N 1 2 371.422 3.427 20 5 FGBDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604435890 506831751 /nfs/dbraw/zinc/83/17/51/506831751.db2.gz NRIUNWLSBIHWAO-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604435890 506831755 /nfs/dbraw/zinc/83/17/55/506831755.db2.gz NRIUNWLSBIHWAO-YPMHNXCESA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccccc1[N+](=O)[O-] ZINC000593991374 506870198 /nfs/dbraw/zinc/87/01/98/506870198.db2.gz AQBBPXYPWOBPHO-UHFFFAOYSA-N 1 2 370.331 3.351 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609669183 506968361 /nfs/dbraw/zinc/96/83/61/506968361.db2.gz ICCIPMGCDLQQHE-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610003894 507066775 /nfs/dbraw/zinc/06/67/75/507066775.db2.gz NFAXYZQBRZZGMS-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610003894 507066779 /nfs/dbraw/zinc/06/67/79/507066779.db2.gz NFAXYZQBRZZGMS-CYBMUJFWSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610003618 507068252 /nfs/dbraw/zinc/06/82/52/507068252.db2.gz BYSXXVFUBOICLR-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610003618 507068257 /nfs/dbraw/zinc/06/82/57/507068257.db2.gz BYSXXVFUBOICLR-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610104834 507100697 /nfs/dbraw/zinc/10/06/97/507100697.db2.gz XGXVWPIFXARYRV-SFHVURJKSA-N 1 2 371.441 3.161 20 5 FGBDLO CC(C)c1ccnc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000613498186 507119085 /nfs/dbraw/zinc/11/90/85/507119085.db2.gz LWEJOIRCPAZHBD-HNNXBMFYSA-N 1 2 355.442 3.391 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc([N+](=O)[O-])c1OC ZINC000610195447 507133752 /nfs/dbraw/zinc/13/37/52/507133752.db2.gz CJLFTPIMSFUCCZ-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000610273226 507169697 /nfs/dbraw/zinc/16/96/97/507169697.db2.gz BERBBOWODINDHN-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c([N+](=O)[O-])cc1OC ZINC000610310601 507187683 /nfs/dbraw/zinc/18/76/83/507187683.db2.gz JXIJCVQKBVJXDT-UHFFFAOYSA-N 1 2 370.365 3.059 20 5 FGBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)c(C)c1 ZINC000594595761 507201145 /nfs/dbraw/zinc/20/11/45/507201145.db2.gz JYMMTNFDUYMYKF-UHFFFAOYSA-N 1 2 374.416 3.237 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])c(C)cc3C)[nH+]c12 ZINC000591510421 507275023 /nfs/dbraw/zinc/27/50/23/507275023.db2.gz NOKXIQYCGVZWQQ-UHFFFAOYSA-N 1 2 352.394 3.140 20 5 FGBDLO Cc1c(Br)c(NCC(C)(C)n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000601198291 507293447 /nfs/dbraw/zinc/29/34/47/507293447.db2.gz UKDNRCTZAVSCAA-UHFFFAOYSA-N 1 2 354.208 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)nc2c1 ZINC000610582784 507302943 /nfs/dbraw/zinc/30/29/43/507302943.db2.gz ZSLYNKLTVUHDHX-KRWDZBQOSA-N 1 2 363.377 3.464 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000610582499 507303365 /nfs/dbraw/zinc/30/33/65/507303365.db2.gz PWGVBEJNUBPUBP-LBPRGKRZSA-N 1 2 369.381 3.376 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)nc2c1 ZINC000610582499 507303367 /nfs/dbraw/zinc/30/33/67/507303367.db2.gz PWGVBEJNUBPUBP-LBPRGKRZSA-N 1 2 369.381 3.376 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595004249 507351101 /nfs/dbraw/zinc/35/11/01/507351101.db2.gz QLHOUKKWCMIVHD-QWHCGFSZSA-N 1 2 359.430 3.333 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000591851254 507391782 /nfs/dbraw/zinc/39/17/82/507391782.db2.gz MCKDTYCBDNRCLL-ZFWWWQNUSA-N 1 2 367.243 3.358 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000591851254 507391787 /nfs/dbraw/zinc/39/17/87/507391787.db2.gz MCKDTYCBDNRCLL-ZFWWWQNUSA-N 1 2 367.243 3.358 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CCC1CC1)CC1CC1 ZINC000598467555 507437649 /nfs/dbraw/zinc/43/76/49/507437649.db2.gz AXBKOWSDHMAEAI-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135210 507498568 /nfs/dbraw/zinc/49/85/68/507498568.db2.gz BVGCWFGLHZAGSX-TZMCWYRMSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135210 507498577 /nfs/dbraw/zinc/49/85/77/507498577.db2.gz BVGCWFGLHZAGSX-TZMCWYRMSA-N 1 2 374.441 3.271 20 5 FGBDLO Cc1noc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000595472249 507515214 /nfs/dbraw/zinc/51/52/14/507515214.db2.gz JRPHAUKAJSYWMW-LLVKDONJSA-N 1 2 368.187 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601968213 507534761 /nfs/dbraw/zinc/53/47/61/507534761.db2.gz DDPDDQAMJOUDAF-GFCCVEGCSA-N 1 2 352.284 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601968213 507534765 /nfs/dbraw/zinc/53/47/65/507534765.db2.gz DDPDDQAMJOUDAF-GFCCVEGCSA-N 1 2 352.284 3.052 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000611202383 507559833 /nfs/dbraw/zinc/55/98/33/507559833.db2.gz KCWATKCQYISZMW-UHFFFAOYSA-N 1 2 371.462 3.452 20 5 FGBDLO O=c1[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccccc21 ZINC000611211249 507563549 /nfs/dbraw/zinc/56/35/49/507563549.db2.gz QGGBIMSNEDPDFD-UHFFFAOYSA-N 1 2 350.378 3.408 20 5 FGBDLO O=c1[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccccc21 ZINC000611211249 507563555 /nfs/dbraw/zinc/56/35/55/507563555.db2.gz QGGBIMSNEDPDFD-UHFFFAOYSA-N 1 2 350.378 3.408 20 5 FGBDLO O=C(C[NH+]1CCC(c2cccnc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611258353 507585385 /nfs/dbraw/zinc/58/53/85/507585385.db2.gz ITNOLIHXLDUQBT-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595616985 507593362 /nfs/dbraw/zinc/59/33/62/507593362.db2.gz UANSCZRKZIFDCB-UHFFFAOYSA-N 1 2 373.409 3.405 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627417 507600099 /nfs/dbraw/zinc/60/00/99/507600099.db2.gz YMXJRUGQRVRORW-SGTLLEGYSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627417 507600103 /nfs/dbraw/zinc/60/01/03/507600103.db2.gz YMXJRUGQRVRORW-SGTLLEGYSA-N 1 2 358.398 3.207 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000595677224 507623286 /nfs/dbraw/zinc/62/32/86/507623286.db2.gz TVTAYSSINRZIJS-KRWDZBQOSA-N 1 2 355.394 3.404 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000595677224 507623290 /nfs/dbraw/zinc/62/32/90/507623290.db2.gz TVTAYSSINRZIJS-KRWDZBQOSA-N 1 2 355.394 3.404 20 5 FGBDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592446656 507659346 /nfs/dbraw/zinc/65/93/46/507659346.db2.gz LKBPMSQPYUROQK-KRWDZBQOSA-N 1 2 364.467 3.045 20 5 FGBDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000592446656 507659353 /nfs/dbraw/zinc/65/93/53/507659353.db2.gz LKBPMSQPYUROQK-KRWDZBQOSA-N 1 2 364.467 3.045 20 5 FGBDLO O=C(Nc1nc(-c2ccccc2)c[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000611484768 507703183 /nfs/dbraw/zinc/70/31/83/507703183.db2.gz SNHVVAYHXOPYDZ-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866561 507719348 /nfs/dbraw/zinc/71/93/48/507719348.db2.gz JDFFNRNODTUXLV-QGZVFWFLSA-N 1 2 366.364 3.483 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521373 507721450 /nfs/dbraw/zinc/72/14/50/507721450.db2.gz BGZZVWBEJBKIAM-JQWIXIFHSA-N 1 2 362.348 3.427 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521373 507721459 /nfs/dbraw/zinc/72/14/59/507721459.db2.gz BGZZVWBEJBKIAM-JQWIXIFHSA-N 1 2 362.348 3.427 20 5 FGBDLO Cc1nc(N2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000588017381 507734631 /nfs/dbraw/zinc/73/46/31/507734631.db2.gz SWBGEAZNBCYAHK-UHFFFAOYSA-N 1 2 368.224 3.327 20 5 FGBDLO COCCOc1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602518137 507734833 /nfs/dbraw/zinc/73/48/33/507734833.db2.gz KUQXIPOSDBMCMR-UHFFFAOYSA-N 1 2 357.366 3.051 20 5 FGBDLO CC12CC(C1)C[N@@H+]2Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595918403 507744692 /nfs/dbraw/zinc/74/46/92/507744692.db2.gz BEXGANTWJNXENT-UHFFFAOYSA-N 1 2 358.179 3.184 20 5 FGBDLO CC12CC(C1)C[N@H+]2Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595918403 507744697 /nfs/dbraw/zinc/74/46/97/507744697.db2.gz BEXGANTWJNXENT-UHFFFAOYSA-N 1 2 358.179 3.184 20 5 FGBDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602556440 507747392 /nfs/dbraw/zinc/74/73/92/507747392.db2.gz GOFOQIWGZHSAGJ-AWEZNQCLSA-N 1 2 355.350 3.358 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc1-c1ccc(F)cc1 ZINC000485394867 561318225 /nfs/dbraw/zinc/31/82/25/561318225.db2.gz KGBLRRSJEBRBNE-INIZCTEOSA-N 1 2 372.400 3.071 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)nc1-c1ccc(F)cc1 ZINC000485394867 561318226 /nfs/dbraw/zinc/31/82/26/561318226.db2.gz KGBLRRSJEBRBNE-INIZCTEOSA-N 1 2 372.400 3.071 20 5 FGBDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093643271 700452541 /nfs/dbraw/zinc/45/25/41/700452541.db2.gz FSJOFBJQWJFZRB-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093643271 700452543 /nfs/dbraw/zinc/45/25/43/700452543.db2.gz FSJOFBJQWJFZRB-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103467282 700486178 /nfs/dbraw/zinc/48/61/78/700486178.db2.gz VLINMQAOLMSWNS-UHFFFAOYSA-N 1 2 353.394 3.223 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000133652981 700840111 /nfs/dbraw/zinc/84/01/11/700840111.db2.gz IQQZZZOAOMIWPT-CYBMUJFWSA-N 1 2 350.806 3.193 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000133652981 700840114 /nfs/dbraw/zinc/84/01/14/700840114.db2.gz IQQZZZOAOMIWPT-CYBMUJFWSA-N 1 2 350.806 3.193 20 5 FGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000172539565 705422676 /nfs/dbraw/zinc/42/26/76/705422676.db2.gz PAQXPCIZNCKOHU-UHFFFAOYSA-N 1 2 357.757 3.106 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(Cl)c1 ZINC000524051823 714266133 /nfs/dbraw/zinc/26/61/33/714266133.db2.gz BQCYCNXFJLEKET-DAXSKMNVSA-N 1 2 358.829 3.479 20 5 FGBDLO COc1cccc(Cl)c1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616482886 714589312 /nfs/dbraw/zinc/58/93/12/714589312.db2.gz RDMXVXMYKMCLDD-UHFFFAOYSA-N 1 2 364.785 3.318 20 5 FGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000779859943 724431134 /nfs/dbraw/zinc/43/11/34/724431134.db2.gz ORWCHCBKRFQLTP-CQSZACIVSA-N 1 2 350.806 3.254 20 5 FGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000779859943 724431135 /nfs/dbraw/zinc/43/11/35/724431135.db2.gz ORWCHCBKRFQLTP-CQSZACIVSA-N 1 2 350.806 3.254 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(C(F)(F)F)CC2)o1 ZINC000753849859 722915962 /nfs/dbraw/zinc/91/59/62/722915962.db2.gz BTXPETKLGBRDNA-UHFFFAOYSA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000754701741 722944640 /nfs/dbraw/zinc/94/46/40/722944640.db2.gz PYFQFDNSICYKDI-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796164195 723624367 /nfs/dbraw/zinc/62/43/67/723624367.db2.gz KDADYFCKFZXFKH-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796164195 723624369 /nfs/dbraw/zinc/62/43/69/723624369.db2.gz KDADYFCKFZXFKH-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000796627514 723647331 /nfs/dbraw/zinc/64/73/31/723647331.db2.gz TXRUCIBWIBCWJK-QMMMGPOBSA-N 1 2 370.743 3.211 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805762162 725092555 /nfs/dbraw/zinc/09/25/55/725092555.db2.gz OAMXLIKMUXWQNZ-AWEZNQCLSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805762162 725092559 /nfs/dbraw/zinc/09/25/59/725092559.db2.gz OAMXLIKMUXWQNZ-AWEZNQCLSA-N 1 2 353.394 3.177 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805799392 725097156 /nfs/dbraw/zinc/09/71/56/725097156.db2.gz CNWPMLFAQPNMRD-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805799392 725097159 /nfs/dbraw/zinc/09/71/59/725097159.db2.gz CNWPMLFAQPNMRD-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805802273 725097423 /nfs/dbraw/zinc/09/74/23/725097423.db2.gz UOTZROKVWKPBEG-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805802273 725097427 /nfs/dbraw/zinc/09/74/27/725097427.db2.gz UOTZROKVWKPBEG-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000820360926 728988665 /nfs/dbraw/zinc/98/86/65/728988665.db2.gz HJLQNIAEXCHMLL-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000820360926 728988668 /nfs/dbraw/zinc/98/86/68/728988668.db2.gz HJLQNIAEXCHMLL-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000823189897 729261386 /nfs/dbraw/zinc/26/13/86/729261386.db2.gz URNHSQHYJRGIGT-UHFFFAOYSA-N 1 2 371.231 3.086 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858438399 732215072 /nfs/dbraw/zinc/21/50/72/732215072.db2.gz PRLLGRHMUSPUFT-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858438399 732215074 /nfs/dbraw/zinc/21/50/74/732215074.db2.gz PRLLGRHMUSPUFT-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859682513 732375349 /nfs/dbraw/zinc/37/53/49/732375349.db2.gz ZOFMBAMJTIEERC-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859682513 732375354 /nfs/dbraw/zinc/37/53/54/732375354.db2.gz ZOFMBAMJTIEERC-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO COC(=O)c1coc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000877699676 736708023 /nfs/dbraw/zinc/70/80/23/736708023.db2.gz ALULRUSJYSPSDC-UHFFFAOYSA-N 1 2 358.272 3.283 20 5 FGBDLO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nccn1C ZINC000883294832 737548162 /nfs/dbraw/zinc/54/81/62/737548162.db2.gz NDLZWOQTXZEVNH-LBPRGKRZSA-N 1 2 353.220 3.332 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cn1c3cc([N+](=O)[O-])ccc3oc1=S)C2 ZINC000902550903 743756557 /nfs/dbraw/zinc/75/65/57/743756557.db2.gz LPDXIKBILXYLBQ-UHFFFAOYSA-N 1 2 359.411 3.104 20 5 FGBDLO CC(C)[N@@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919955269 758493662 /nfs/dbraw/zinc/49/36/62/758493662.db2.gz VODKCSLHVBWAFK-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)[N@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919955269 758493665 /nfs/dbraw/zinc/49/36/65/758493665.db2.gz VODKCSLHVBWAFK-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000567965558 505584757 /nfs/dbraw/zinc/58/47/57/505584757.db2.gz ORQIETPZQRUTDR-ZDUSSCGKSA-N 1 2 354.410 3.022 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000567965558 505584761 /nfs/dbraw/zinc/58/47/61/505584761.db2.gz ORQIETPZQRUTDR-ZDUSSCGKSA-N 1 2 354.410 3.022 20 5 FGBDLO O=C(Nc1ccccc1-n1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049702757 493881057 /nfs/dbraw/zinc/88/10/57/493881057.db2.gz QUBYKSHHKKICFB-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO CN1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000069090559 493919596 /nfs/dbraw/zinc/91/95/96/493919596.db2.gz WHCNSPYAIICKJD-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO CN1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000069090559 493919600 /nfs/dbraw/zinc/91/96/00/493919600.db2.gz WHCNSPYAIICKJD-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccccc4F)CC3)nc2c1 ZINC000083127117 493999013 /nfs/dbraw/zinc/99/90/13/493999013.db2.gz XTLVXAADKYKFSI-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090717 494047673 /nfs/dbraw/zinc/04/76/73/494047673.db2.gz KXEGXUAXOWRWHA-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090717 494047675 /nfs/dbraw/zinc/04/76/75/494047675.db2.gz KXEGXUAXOWRWHA-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000008203769 494075929 /nfs/dbraw/zinc/07/59/29/494075929.db2.gz PFCZXHIHBGSXLV-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000086233033 494145290 /nfs/dbraw/zinc/14/52/90/494145290.db2.gz FESGXIGRXYGVFZ-GFCCVEGCSA-N 1 2 359.382 3.361 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000086233033 494145292 /nfs/dbraw/zinc/14/52/92/494145292.db2.gz FESGXIGRXYGVFZ-GFCCVEGCSA-N 1 2 359.382 3.361 20 5 FGBDLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000064958723 494162227 /nfs/dbraw/zinc/16/22/27/494162227.db2.gz RBBXXMHNMIBWPE-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814925 494169077 /nfs/dbraw/zinc/16/90/77/494169077.db2.gz MNBGDJABGFKAOR-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814925 494169081 /nfs/dbraw/zinc/16/90/81/494169081.db2.gz MNBGDJABGFKAOR-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000574144174 505704278 /nfs/dbraw/zinc/70/42/78/505704278.db2.gz XHKVXNCCDPXXQB-GOSISDBHSA-N 1 2 368.441 3.060 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000087219600 494183918 /nfs/dbraw/zinc/18/39/18/494183918.db2.gz JNGNGMHDRBHNHK-UHFFFAOYSA-N 1 2 357.410 3.206 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000072529253 494194462 /nfs/dbraw/zinc/19/44/62/494194462.db2.gz LQVMDQRWIGETSZ-QGZVFWFLSA-N 1 2 364.405 3.351 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716827 494238549 /nfs/dbraw/zinc/23/85/49/494238549.db2.gz BDRVPZROJFMADH-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716827 494238552 /nfs/dbraw/zinc/23/85/52/494238552.db2.gz BDRVPZROJFMADH-OAHLLOKOSA-N 1 2 361.442 3.265 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607029 494252921 /nfs/dbraw/zinc/25/29/21/494252921.db2.gz QCHQIHARPZSYJN-CQSZACIVSA-N 1 2 371.412 3.312 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607029 494252927 /nfs/dbraw/zinc/25/29/27/494252927.db2.gz QCHQIHARPZSYJN-CQSZACIVSA-N 1 2 371.412 3.312 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000043148314 494270329 /nfs/dbraw/zinc/27/03/29/494270329.db2.gz VVFCFBKKKHDJAQ-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO Cc1c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000043347314 494289959 /nfs/dbraw/zinc/28/99/59/494289959.db2.gz SLFYIVQVJRYTFW-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072975739 494296464 /nfs/dbraw/zinc/29/64/64/494296464.db2.gz MWSMHNNGCZJQNI-QWHCGFSZSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072975739 494296468 /nfs/dbraw/zinc/29/64/68/494296468.db2.gz MWSMHNNGCZJQNI-QWHCGFSZSA-N 1 2 369.849 3.324 20 5 FGBDLO COc1ccccc1[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000078627642 494333276 /nfs/dbraw/zinc/33/32/76/494333276.db2.gz STSIHHZYAKMDPX-MRXNPFEDSA-N 1 2 353.382 3.242 20 5 FGBDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016564101 494394356 /nfs/dbraw/zinc/39/43/56/494394356.db2.gz ZUBRHHXOLPCJKS-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016564101 494394358 /nfs/dbraw/zinc/39/43/58/494394358.db2.gz ZUBRHHXOLPCJKS-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1c(F)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000055946896 494432382 /nfs/dbraw/zinc/43/23/82/494432382.db2.gz HOPJYJTVDGJZEW-UHFFFAOYSA-N 1 2 374.303 3.320 20 5 FGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046105530 494495370 /nfs/dbraw/zinc/49/53/70/494495370.db2.gz XYGOLQWDAJVRKI-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000022964083 494543312 /nfs/dbraw/zinc/54/33/12/494543312.db2.gz QAQWOTXYJRQKPR-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000022964083 494543316 /nfs/dbraw/zinc/54/33/16/494543316.db2.gz QAQWOTXYJRQKPR-HXUWFJFHSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(NCCc1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046730731 494558365 /nfs/dbraw/zinc/55/83/65/494558365.db2.gz VAFNWWDNBVZKDR-UHFFFAOYSA-N 1 2 372.331 3.031 20 5 FGBDLO CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046906052 494583113 /nfs/dbraw/zinc/58/31/13/494583113.db2.gz SUHPCCRHAIZNAU-UHFFFAOYSA-N 1 2 374.466 3.170 20 5 FGBDLO Cn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172492 494629101 /nfs/dbraw/zinc/62/91/01/494629101.db2.gz BLGMSOBXVVTXSQ-OAHLLOKOSA-N 1 2 366.425 3.098 20 5 FGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000057128050 494650321 /nfs/dbraw/zinc/65/03/21/494650321.db2.gz NQKARJDEPZIQHQ-AWEZNQCLSA-N 1 2 351.403 3.281 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000092601374 494683842 /nfs/dbraw/zinc/68/38/42/494683842.db2.gz VSVIBINYMDVWBP-WBMJQRKESA-N 1 2 356.426 3.440 20 5 FGBDLO Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000026214908 494809417 /nfs/dbraw/zinc/80/94/17/494809417.db2.gz CLERUARHZAJHEY-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346999 494820430 /nfs/dbraw/zinc/82/04/30/494820430.db2.gz HZDQUDBNJSONSO-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346999 494820432 /nfs/dbraw/zinc/82/04/32/494820432.db2.gz HZDQUDBNJSONSO-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347002 494820879 /nfs/dbraw/zinc/82/08/79/494820879.db2.gz HZDQUDBNJSONSO-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347002 494820887 /nfs/dbraw/zinc/82/08/87/494820887.db2.gz HZDQUDBNJSONSO-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443740 494892665 /nfs/dbraw/zinc/89/26/65/494892665.db2.gz UNWOFIHNBIXROT-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443740 494892669 /nfs/dbraw/zinc/89/26/69/494892669.db2.gz UNWOFIHNBIXROT-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000109581693 494893888 /nfs/dbraw/zinc/89/38/88/494893888.db2.gz KCUOVIUFJWPOQJ-UHFFFAOYSA-N 1 2 366.377 3.144 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCCNc1cccc[nH+]1 ZINC000117791248 494956486 /nfs/dbraw/zinc/95/64/86/494956486.db2.gz RISVDTIBDUBXAI-UHFFFAOYSA-N 1 2 362.817 3.194 20 5 FGBDLO CCc1nc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000110501462 494984070 /nfs/dbraw/zinc/98/40/70/494984070.db2.gz JKVVMLRCGGWNQE-LLVKDONJSA-N 1 2 371.422 3.290 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000122827278 495036534 /nfs/dbraw/zinc/03/65/34/495036534.db2.gz UBZLROLHTXRPNI-UHFFFAOYSA-N 1 2 363.483 3.263 20 5 FGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000119096964 495091632 /nfs/dbraw/zinc/09/16/32/495091632.db2.gz NGTPDCLCSBDEEZ-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000119096964 495091635 /nfs/dbraw/zinc/09/16/35/495091635.db2.gz NGTPDCLCSBDEEZ-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO CCc1nc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000128468918 495101530 /nfs/dbraw/zinc/10/15/30/495101530.db2.gz DUOPUUMPHYLEQK-CQSZACIVSA-N 1 2 360.483 3.493 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000128501204 495106822 /nfs/dbraw/zinc/10/68/22/495106822.db2.gz NZBKLNXHXKXKKZ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000129216009 495212082 /nfs/dbraw/zinc/21/20/82/495212082.db2.gz YTBUJPUOIWTGQN-OAHLLOKOSA-N 1 2 373.478 3.494 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135218771 495264157 /nfs/dbraw/zinc/26/41/57/495264157.db2.gz MPKNEFYFVOWCFQ-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135218771 495264163 /nfs/dbraw/zinc/26/41/63/495264163.db2.gz MPKNEFYFVOWCFQ-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2sccc2C1 ZINC000130671959 495427992 /nfs/dbraw/zinc/42/79/92/495427992.db2.gz SBXCTFWLIJAFCR-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2sccc2C1 ZINC000130671959 495427998 /nfs/dbraw/zinc/42/79/98/495427998.db2.gz SBXCTFWLIJAFCR-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120702781 495438508 /nfs/dbraw/zinc/43/85/08/495438508.db2.gz IKKGKTKHOFFELX-LSTHTHJFSA-N 1 2 374.400 3.239 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130905198 495464129 /nfs/dbraw/zinc/46/41/29/495464129.db2.gz PRMDJERLMVWVLI-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130905198 495464133 /nfs/dbraw/zinc/46/41/33/495464133.db2.gz PRMDJERLMVWVLI-HNNXBMFYSA-N 1 2 353.422 3.437 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000107181231 495523195 /nfs/dbraw/zinc/52/31/95/495523195.db2.gz QBUIJRGGWWEGPZ-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000173464590 495542148 /nfs/dbraw/zinc/54/21/48/495542148.db2.gz QZZRNMFYLBTFKY-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000173464590 495542154 /nfs/dbraw/zinc/54/21/54/495542154.db2.gz QZZRNMFYLBTFKY-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753001 495689145 /nfs/dbraw/zinc/68/91/45/495689145.db2.gz JROZINOZWZSQGY-ZIAGYGMSSA-N 1 2 359.430 3.034 20 5 FGBDLO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753016 495689174 /nfs/dbraw/zinc/68/91/74/495689174.db2.gz JROZINOZWZSQGY-UONOGXRCSA-N 1 2 359.430 3.034 20 5 FGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000176983343 495869315 /nfs/dbraw/zinc/86/93/15/495869315.db2.gz MBCXCQNMDVIGJL-UHFFFAOYSA-N 1 2 369.377 3.312 20 5 FGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000176983343 495869323 /nfs/dbraw/zinc/86/93/23/495869323.db2.gz MBCXCQNMDVIGJL-UHFFFAOYSA-N 1 2 369.377 3.312 20 5 FGBDLO CC(C)(C)c1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174243529 495878923 /nfs/dbraw/zinc/87/89/23/495878923.db2.gz VWSSOZVQFKXKOZ-UHFFFAOYSA-N 1 2 360.414 3.319 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619214 495950723 /nfs/dbraw/zinc/95/07/23/495950723.db2.gz UYKHFFREYPNXIX-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619214 495950729 /nfs/dbraw/zinc/95/07/29/495950729.db2.gz UYKHFFREYPNXIX-CYBMUJFWSA-N 1 2 364.405 3.461 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000160428379 495960878 /nfs/dbraw/zinc/96/08/78/495960878.db2.gz URTBWTUDICVUCN-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000186432911 495995938 /nfs/dbraw/zinc/99/59/38/495995938.db2.gz HVKAEOOXMQOQIY-ZDUSSCGKSA-N 1 2 353.382 3.143 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cs1 ZINC000186506170 496024526 /nfs/dbraw/zinc/02/45/26/496024526.db2.gz VBMGHGUHRBZVGD-UHFFFAOYSA-N 1 2 354.378 3.418 20 5 FGBDLO O=C(NC[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171883523 496073760 /nfs/dbraw/zinc/07/37/60/496073760.db2.gz DGLNARXOOKDSHO-INIZCTEOSA-N 1 2 362.389 3.240 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186718543 496120499 /nfs/dbraw/zinc/12/04/99/496120499.db2.gz UREUAFVSNWEPSU-UHFFFAOYSA-N 1 2 369.421 3.217 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186718543 496120502 /nfs/dbraw/zinc/12/05/02/496120502.db2.gz UREUAFVSNWEPSU-UHFFFAOYSA-N 1 2 369.421 3.217 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000177628287 496138417 /nfs/dbraw/zinc/13/84/17/496138417.db2.gz SMDXPLSLYUCPQN-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000177628287 496138423 /nfs/dbraw/zinc/13/84/23/496138423.db2.gz SMDXPLSLYUCPQN-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO CCN(CCOC)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000580742974 505826787 /nfs/dbraw/zinc/82/67/87/505826787.db2.gz GTGPXYDQBGEBLZ-UHFFFAOYSA-N 1 2 370.453 3.021 20 5 FGBDLO CCN(CCOC)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000580742974 505826791 /nfs/dbraw/zinc/82/67/91/505826791.db2.gz GTGPXYDQBGEBLZ-UHFFFAOYSA-N 1 2 370.453 3.021 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177786751 496195581 /nfs/dbraw/zinc/19/55/81/496195581.db2.gz IQRDMFQUTPYJTR-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162505073 496364826 /nfs/dbraw/zinc/36/48/26/496364826.db2.gz BXVUVAXNYJGZKV-UHFFFAOYSA-N 1 2 361.373 3.046 20 5 FGBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162505073 496364829 /nfs/dbraw/zinc/36/48/29/496364829.db2.gz BXVUVAXNYJGZKV-UHFFFAOYSA-N 1 2 361.373 3.046 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCCc1ccccc1 ZINC000153334439 496423120 /nfs/dbraw/zinc/42/31/20/496423120.db2.gz ALDFZBFEABELTI-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCCc1ccccc1 ZINC000153334439 496423126 /nfs/dbraw/zinc/42/31/26/496423126.db2.gz ALDFZBFEABELTI-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000172802800 496438352 /nfs/dbraw/zinc/43/83/52/496438352.db2.gz RXHOKEYQLLWRRN-ZDUSSCGKSA-N 1 2 370.434 3.451 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000172877081 496472469 /nfs/dbraw/zinc/47/24/69/496472469.db2.gz YBDRRENNXHSBKC-HNNXBMFYSA-N 1 2 351.366 3.057 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1CC1 ZINC000178913780 496614302 /nfs/dbraw/zinc/61/43/02/496614302.db2.gz LMKXLVBMBYWXJS-UHFFFAOYSA-N 1 2 371.359 3.104 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176040136 496656115 /nfs/dbraw/zinc/65/61/15/496656115.db2.gz CINCVKTUQXVOAW-LJQANCHMSA-N 1 2 371.412 3.405 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176040136 496656120 /nfs/dbraw/zinc/65/61/20/496656120.db2.gz CINCVKTUQXVOAW-LJQANCHMSA-N 1 2 371.412 3.405 20 5 FGBDLO COc1cccc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000185182494 496695717 /nfs/dbraw/zinc/69/57/17/496695717.db2.gz UCWWTDGYNKGRNZ-OKILXGFUSA-N 1 2 372.425 3.224 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c(c1)OCO2 ZINC000182296291 496727428 /nfs/dbraw/zinc/72/74/28/496727428.db2.gz GJGDXGKDLWEFON-NSHDSACASA-N 1 2 368.349 3.224 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@](=O)C1 ZINC000277507336 496797243 /nfs/dbraw/zinc/79/72/43/496797243.db2.gz PUFMKGWJJLDYBN-SXBQZSJRSA-N 1 2 355.459 3.147 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@](=O)C1 ZINC000277507336 496797246 /nfs/dbraw/zinc/79/72/46/496797246.db2.gz PUFMKGWJJLDYBN-SXBQZSJRSA-N 1 2 355.459 3.147 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@](=O)C1 ZINC000277507317 496797403 /nfs/dbraw/zinc/79/74/03/496797403.db2.gz PUFMKGWJJLDYBN-DLUDVSRJSA-N 1 2 355.459 3.147 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@](=O)C1 ZINC000277507317 496797406 /nfs/dbraw/zinc/79/74/06/496797406.db2.gz PUFMKGWJJLDYBN-DLUDVSRJSA-N 1 2 355.459 3.147 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195316935 496887547 /nfs/dbraw/zinc/88/75/47/496887547.db2.gz RRKIVYLRZDGFRS-UHFFFAOYSA-N 1 2 361.442 3.265 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC000189111875 497011769 /nfs/dbraw/zinc/01/17/69/497011769.db2.gz HQLHDAKZEHXLPL-CYBMUJFWSA-N 1 2 350.781 3.469 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)nc1 ZINC000189111875 497011772 /nfs/dbraw/zinc/01/17/72/497011772.db2.gz HQLHDAKZEHXLPL-CYBMUJFWSA-N 1 2 350.781 3.469 20 5 FGBDLO COc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000274257362 497053785 /nfs/dbraw/zinc/05/37/85/497053785.db2.gz ZLSJPZYIOMUVJP-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000274257362 497053788 /nfs/dbraw/zinc/05/37/88/497053788.db2.gz ZLSJPZYIOMUVJP-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000274294487 497062855 /nfs/dbraw/zinc/06/28/55/497062855.db2.gz LTRNACQYIZEFKA-CYBMUJFWSA-N 1 2 362.455 3.081 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253360125 497327991 /nfs/dbraw/zinc/32/79/91/497327991.db2.gz CJFLDMDUNFAOLJ-QWHCGFSZSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253360125 497327995 /nfs/dbraw/zinc/32/79/95/497327995.db2.gz CJFLDMDUNFAOLJ-QWHCGFSZSA-N 1 2 360.439 3.258 20 5 FGBDLO O=c1[nH]cnc2cc(NCc3cn4cc(Cl)ccc4[nH+]3)c([N+](=O)[O-])cc12 ZINC000253616814 497346498 /nfs/dbraw/zinc/34/64/98/497346498.db2.gz ICUWQLLMJLROGE-UHFFFAOYSA-N 1 2 370.756 3.157 20 5 FGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000255316342 497364002 /nfs/dbraw/zinc/36/40/02/497364002.db2.gz GPFKDBUOBXQOGR-XQRVVYSFSA-N 1 2 361.348 3.457 20 5 FGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000255316342 497364006 /nfs/dbraw/zinc/36/40/06/497364006.db2.gz GPFKDBUOBXQOGR-XQRVVYSFSA-N 1 2 361.348 3.457 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000279865864 497569408 /nfs/dbraw/zinc/56/94/08/497569408.db2.gz VQUMSFLSXVXLMA-UHFFFAOYSA-N 1 2 353.382 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955516 497659034 /nfs/dbraw/zinc/65/90/34/497659034.db2.gz NGJRRFYDBFEXND-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190955516 497659041 /nfs/dbraw/zinc/65/90/41/497659041.db2.gz NGJRRFYDBFEXND-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272624859 497683124 /nfs/dbraw/zinc/68/31/24/497683124.db2.gz JIVNAAATNASBHY-AWEZNQCLSA-N 1 2 364.427 3.052 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272624859 497683129 /nfs/dbraw/zinc/68/31/29/497683129.db2.gz JIVNAAATNASBHY-AWEZNQCLSA-N 1 2 364.427 3.052 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246440117 497734755 /nfs/dbraw/zinc/73/47/55/497734755.db2.gz BKMXCWFBAGKIMH-BFQNTYOBSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246440117 497734762 /nfs/dbraw/zinc/73/47/62/497734762.db2.gz BKMXCWFBAGKIMH-BFQNTYOBSA-N 1 2 367.833 3.076 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000194817223 497780893 /nfs/dbraw/zinc/78/08/93/497780893.db2.gz ZUJPYGAOZHYTDG-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000284870013 497927086 /nfs/dbraw/zinc/92/70/86/497927086.db2.gz DTMZZNJWQDNZDD-GOSISDBHSA-N 1 2 366.425 3.409 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000284870013 497927091 /nfs/dbraw/zinc/92/70/91/497927091.db2.gz DTMZZNJWQDNZDD-GOSISDBHSA-N 1 2 366.425 3.409 20 5 FGBDLO Cc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)[nH+]1 ZINC000301105181 497952929 /nfs/dbraw/zinc/95/29/29/497952929.db2.gz MEADERKUCTZSRZ-UHFFFAOYSA-N 1 2 350.382 3.279 20 5 FGBDLO C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000296285234 497985388 /nfs/dbraw/zinc/98/53/88/497985388.db2.gz JGBOMFXQMDSORB-DOMZBBRYSA-N 1 2 357.414 3.182 20 5 FGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([S@@](C)=O)cc1 ZINC000285113611 497997800 /nfs/dbraw/zinc/99/78/00/497997800.db2.gz ABNBXQWXBLUXHM-VKTRGTBVSA-N 1 2 354.378 3.461 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000281211224 498057418 /nfs/dbraw/zinc/05/74/18/498057418.db2.gz SKJSTCGXPHLEBQ-QGZVFWFLSA-N 1 2 371.441 3.291 20 5 FGBDLO Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000296545743 498088522 /nfs/dbraw/zinc/08/85/22/498088522.db2.gz UBVBUGAUGQGUKJ-UHFFFAOYSA-N 1 2 366.830 3.253 20 5 FGBDLO Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000296545743 498088520 /nfs/dbraw/zinc/08/85/20/498088520.db2.gz UBVBUGAUGQGUKJ-UHFFFAOYSA-N 1 2 366.830 3.253 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000350898526 498148592 /nfs/dbraw/zinc/14/85/92/498148592.db2.gz INNRFYSPNZFGEO-UHFFFAOYSA-N 1 2 364.321 3.233 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281455609 498158476 /nfs/dbraw/zinc/15/84/76/498158476.db2.gz QVCGFMMMUONRJN-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281455609 498158478 /nfs/dbraw/zinc/15/84/78/498158478.db2.gz QVCGFMMMUONRJN-MRXNPFEDSA-N 1 2 368.397 3.106 20 5 FGBDLO CC(=O)NCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289536843 498185719 /nfs/dbraw/zinc/18/57/19/498185719.db2.gz CDZIKQYRBMNTKY-UHFFFAOYSA-N 1 2 360.241 3.250 20 5 FGBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000581467737 505995269 /nfs/dbraw/zinc/99/52/69/505995269.db2.gz KCRITUNLWLIWMH-ZDUSSCGKSA-N 1 2 374.441 3.415 20 5 FGBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000581467737 505995272 /nfs/dbraw/zinc/99/52/72/505995272.db2.gz KCRITUNLWLIWMH-ZDUSSCGKSA-N 1 2 374.441 3.415 20 5 FGBDLO Cc1cc(N2CC[C@H]3OCCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301725230 498240376 /nfs/dbraw/zinc/24/03/76/498240376.db2.gz PKEMGRGLODMZSQ-DOTOQJQBSA-N 1 2 354.410 3.366 20 5 FGBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289738829 498272206 /nfs/dbraw/zinc/27/22/06/498272206.db2.gz IJLYKYPNLDESSB-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289738829 498272211 /nfs/dbraw/zinc/27/22/11/498272211.db2.gz IJLYKYPNLDESSB-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281889306 498306440 /nfs/dbraw/zinc/30/64/40/498306440.db2.gz DPMSGITZKPQFHU-MRXNPFEDSA-N 1 2 368.437 3.076 20 5 FGBDLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000282254749 498440916 /nfs/dbraw/zinc/44/09/16/498440916.db2.gz JFZZLDVXVVIQSJ-MRXNPFEDSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286678190 498473530 /nfs/dbraw/zinc/47/35/30/498473530.db2.gz VJSBKRWFHVGPJD-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286678190 498473537 /nfs/dbraw/zinc/47/35/37/498473537.db2.gz VJSBKRWFHVGPJD-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc([N+](=O)[O-])c1 ZINC000282357083 498479283 /nfs/dbraw/zinc/47/92/83/498479283.db2.gz PNTNEIBCCIYBKW-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO COc1cccc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc[nH+]c12 ZINC000302489260 498493288 /nfs/dbraw/zinc/49/32/88/498493288.db2.gz YPKXFUPLPLEOAJ-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000302793680 498577820 /nfs/dbraw/zinc/57/78/20/498577820.db2.gz ZYGBRJMVKGLPKE-AWEZNQCLSA-N 1 2 370.331 3.287 20 5 FGBDLO Cn1c2ccccc2[nH+]c1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302896332 498621039 /nfs/dbraw/zinc/62/10/39/498621039.db2.gz RBGVSZMAHZVDKK-UHFFFAOYSA-N 1 2 351.410 3.494 20 5 FGBDLO Cc1c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cccc1[N+](=O)[O-] ZINC000332634785 498748513 /nfs/dbraw/zinc/74/85/13/498748513.db2.gz KFXVVQRBVNNOGT-CYBMUJFWSA-N 1 2 356.426 3.142 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010100 498756493 /nfs/dbraw/zinc/75/64/93/498756493.db2.gz WSZAKUFCTPQZNT-MAUKXSAKSA-N 1 2 362.426 3.146 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010100 498756502 /nfs/dbraw/zinc/75/65/02/498756502.db2.gz WSZAKUFCTPQZNT-MAUKXSAKSA-N 1 2 362.426 3.146 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000288039511 498930204 /nfs/dbraw/zinc/93/02/04/498930204.db2.gz DJMHGHLGCLZBQN-CQSZACIVSA-N 1 2 358.377 3.194 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000576305506 506125849 /nfs/dbraw/zinc/12/58/49/506125849.db2.gz ZKXVMFOCPWNLSB-UHFFFAOYSA-N 1 2 363.364 3.074 20 5 FGBDLO CCc1nn(C)c(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000576306846 506126713 /nfs/dbraw/zinc/12/67/13/506126713.db2.gz MYVUEKYEHJSEKP-ZDUSSCGKSA-N 1 2 368.441 3.459 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693717 499037692 /nfs/dbraw/zinc/03/76/92/499037692.db2.gz YHVWMXSTQUKAPX-YOEHRIQHSA-N 1 2 350.415 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693717 499037697 /nfs/dbraw/zinc/03/76/97/499037697.db2.gz YHVWMXSTQUKAPX-YOEHRIQHSA-N 1 2 350.415 3.001 20 5 FGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000372910393 499193477 /nfs/dbraw/zinc/19/34/77/499193477.db2.gz YIIHMZMBLJRVJF-KDOFPFPSSA-N 1 2 351.410 3.413 20 5 FGBDLO Cc1cc(F)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000370211755 499198082 /nfs/dbraw/zinc/19/80/82/499198082.db2.gz YVZSUUPRAHDHRE-ZDUSSCGKSA-N 1 2 358.373 3.292 20 5 FGBDLO C[C@@H](c1nccn1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877695 499241080 /nfs/dbraw/zinc/24/10/80/499241080.db2.gz MZGPTQGNVPCOPF-DOTOQJQBSA-N 1 2 366.425 3.375 20 5 FGBDLO C[C@@H](c1nccn1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877695 499241081 /nfs/dbraw/zinc/24/10/81/499241081.db2.gz MZGPTQGNVPCOPF-DOTOQJQBSA-N 1 2 366.425 3.375 20 5 FGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371518143 499337098 /nfs/dbraw/zinc/33/70/98/499337098.db2.gz HBJXNBZIWNTPQV-LBPRGKRZSA-N 1 2 364.789 3.104 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000368848988 499339294 /nfs/dbraw/zinc/33/92/94/499339294.db2.gz CWVVANSZKVXZIT-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](Cc3cscn3)CC1)CCN2 ZINC000373049878 499448933 /nfs/dbraw/zinc/44/89/33/499448933.db2.gz SAHARVCKCGFSDQ-UHFFFAOYSA-N 1 2 359.455 3.096 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465994 499522360 /nfs/dbraw/zinc/52/23/60/499522360.db2.gz APLKTNIAZXVOAJ-ZWKOTPCHSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465994 499522362 /nfs/dbraw/zinc/52/23/62/499522362.db2.gz APLKTNIAZXVOAJ-ZWKOTPCHSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378525440 499528388 /nfs/dbraw/zinc/52/83/88/499528388.db2.gz YGGDGLCABAJCGW-LBPRGKRZSA-N 1 2 365.187 3.058 20 5 FGBDLO CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000383087497 499546751 /nfs/dbraw/zinc/54/67/51/499546751.db2.gz NAGXMLSOSCURIP-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000383087497 499546753 /nfs/dbraw/zinc/54/67/53/499546753.db2.gz NAGXMLSOSCURIP-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000375779492 499555071 /nfs/dbraw/zinc/55/50/71/499555071.db2.gz XRKHYDZSARHTGN-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000375779492 499555073 /nfs/dbraw/zinc/55/50/73/499555073.db2.gz XRKHYDZSARHTGN-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398064616 499566357 /nfs/dbraw/zinc/56/63/57/499566357.db2.gz HIXKXYUHXNTVOY-KRWDZBQOSA-N 1 2 371.437 3.187 20 5 FGBDLO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398064616 499566359 /nfs/dbraw/zinc/56/63/59/499566359.db2.gz HIXKXYUHXNTVOY-KRWDZBQOSA-N 1 2 371.437 3.187 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376556143 499618402 /nfs/dbraw/zinc/61/84/02/499618402.db2.gz YBVBKDFUACECLM-GUYCJALGSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376556143 499618403 /nfs/dbraw/zinc/61/84/03/499618403.db2.gz YBVBKDFUACECLM-GUYCJALGSA-N 1 2 370.409 3.020 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)n1 ZINC000377955345 499750933 /nfs/dbraw/zinc/75/09/33/499750933.db2.gz HUHDFIRGLVZDLJ-INIZCTEOSA-N 1 2 370.388 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)n1 ZINC000377955345 499750934 /nfs/dbraw/zinc/75/09/34/499750934.db2.gz HUHDFIRGLVZDLJ-INIZCTEOSA-N 1 2 370.388 3.158 20 5 FGBDLO CC(C)Oc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000412040831 499816312 /nfs/dbraw/zinc/81/63/12/499816312.db2.gz KSUZAXCSLXKNCB-UHFFFAOYSA-N 1 2 372.425 3.399 20 5 FGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000413189137 499924633 /nfs/dbraw/zinc/92/46/33/499924633.db2.gz IMQFMBFZAZMWMV-ZWNOBZJWSA-N 1 2 355.320 3.293 20 5 FGBDLO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000413212205 499927604 /nfs/dbraw/zinc/92/76/04/499927604.db2.gz IJGSPTNPTUWPLV-GJZGRUSLSA-N 1 2 352.316 3.264 20 5 FGBDLO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000413212205 499927606 /nfs/dbraw/zinc/92/76/06/499927606.db2.gz IJGSPTNPTUWPLV-GJZGRUSLSA-N 1 2 352.316 3.264 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413234389 499930802 /nfs/dbraw/zinc/93/08/02/499930802.db2.gz PDJLBJYTIKNSHQ-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421390637 500035952 /nfs/dbraw/zinc/03/59/52/500035952.db2.gz OJPFFKVCCBSZMF-MRXNPFEDSA-N 1 2 373.384 3.237 20 5 FGBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421390637 500035954 /nfs/dbraw/zinc/03/59/54/500035954.db2.gz OJPFFKVCCBSZMF-MRXNPFEDSA-N 1 2 373.384 3.237 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000430277304 500220149 /nfs/dbraw/zinc/22/01/49/500220149.db2.gz YKOQUMHCYZAKDV-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000430277304 500220151 /nfs/dbraw/zinc/22/01/51/500220151.db2.gz YKOQUMHCYZAKDV-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000426376504 500266283 /nfs/dbraw/zinc/26/62/83/500266283.db2.gz JOFTVWNSRASIQD-UHFFFAOYSA-N 1 2 370.327 3.330 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000426376504 500266284 /nfs/dbraw/zinc/26/62/84/500266284.db2.gz JOFTVWNSRASIQD-UHFFFAOYSA-N 1 2 370.327 3.330 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3[nH+]ccc4ccc(F)cc43)C2)nc1 ZINC000428163102 500475853 /nfs/dbraw/zinc/47/58/53/500475853.db2.gz XTOBJTMYXSCFLL-CQSZACIVSA-N 1 2 353.357 3.368 20 5 FGBDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032662 500560572 /nfs/dbraw/zinc/56/05/72/500560572.db2.gz WZNWESYTMOPGNY-STQMWFEESA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032662 500560574 /nfs/dbraw/zinc/56/05/74/500560574.db2.gz WZNWESYTMOPGNY-STQMWFEESA-N 1 2 374.441 3.271 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC(CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000447685124 500645408 /nfs/dbraw/zinc/64/54/08/500645408.db2.gz IALSJVFASNEQNZ-UHFFFAOYSA-N 1 2 354.414 3.364 20 5 FGBDLO CNc1ccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000447691619 500646676 /nfs/dbraw/zinc/64/66/76/500646676.db2.gz UDPQAPFMEZIFQW-UHFFFAOYSA-N 1 2 363.246 3.246 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000447729052 500654584 /nfs/dbraw/zinc/65/45/84/500654584.db2.gz MZHBZFPHIUMNKL-VIFPVBQESA-N 1 2 373.360 3.152 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000447729052 500654587 /nfs/dbraw/zinc/65/45/87/500654587.db2.gz MZHBZFPHIUMNKL-VIFPVBQESA-N 1 2 373.360 3.152 20 5 FGBDLO CO[C@@]1(C)C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000447808607 500666697 /nfs/dbraw/zinc/66/66/97/500666697.db2.gz VUBPATRUJYKZQE-MJGOQNOKSA-N 1 2 363.458 3.043 20 5 FGBDLO CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1[nH]cc[nH+]1 ZINC000443129546 500685201 /nfs/dbraw/zinc/68/52/01/500685201.db2.gz NOFCIJJUYXRUJP-GFCCVEGCSA-N 1 2 357.395 3.323 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000439391832 500892031 /nfs/dbraw/zinc/89/20/31/500892031.db2.gz GIQKKYQSCJGUSW-UHFFFAOYSA-N 1 2 369.425 3.269 20 5 FGBDLO C[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449025573 500901890 /nfs/dbraw/zinc/90/18/90/500901890.db2.gz HNVBREAOCZDJLZ-AWEZNQCLSA-N 1 2 374.462 3.160 20 5 FGBDLO C[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449025573 500901894 /nfs/dbraw/zinc/90/18/94/500901894.db2.gz HNVBREAOCZDJLZ-AWEZNQCLSA-N 1 2 374.462 3.160 20 5 FGBDLO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000445157992 500950526 /nfs/dbraw/zinc/95/05/26/500950526.db2.gz LATORSYEPMUSNW-LBPRGKRZSA-N 1 2 371.397 3.030 20 5 FGBDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440495084 501015439 /nfs/dbraw/zinc/01/54/39/501015439.db2.gz OBLBAHUJILETMC-AWEZNQCLSA-N 1 2 358.446 3.234 20 5 FGBDLO CCC(CC)n1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440495084 501015442 /nfs/dbraw/zinc/01/54/42/501015442.db2.gz OBLBAHUJILETMC-AWEZNQCLSA-N 1 2 358.446 3.234 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@@H](CCO)c2ccco2)cc1Br ZINC000602613426 506231535 /nfs/dbraw/zinc/23/15/35/506231535.db2.gz ZSERKBRUHYTBIR-JTQLQIEISA-N 1 2 361.217 3.225 20 5 FGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000450371695 501102860 /nfs/dbraw/zinc/10/28/60/501102860.db2.gz JNSODIOCODRENT-AWEZNQCLSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450381886 501106686 /nfs/dbraw/zinc/10/66/86/501106686.db2.gz VQPOKSWPMOCGEU-OAHLLOKOSA-N 1 2 366.377 3.204 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441497556 501148949 /nfs/dbraw/zinc/14/89/49/501148949.db2.gz CCYFGDHNRIGMFX-FOIQADDNSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441497556 501148952 /nfs/dbraw/zinc/14/89/52/501148952.db2.gz CCYFGDHNRIGMFX-FOIQADDNSA-N 1 2 372.421 3.444 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446726137 501157423 /nfs/dbraw/zinc/15/74/23/501157423.db2.gz NCXSBUYLWSBARA-INIZCTEOSA-N 1 2 367.449 3.447 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446726137 501157426 /nfs/dbraw/zinc/15/74/26/501157426.db2.gz NCXSBUYLWSBARA-INIZCTEOSA-N 1 2 367.449 3.447 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)cc4c3OCC4)nc2c1 ZINC000446835588 501170968 /nfs/dbraw/zinc/17/09/68/501170968.db2.gz PLOXBDKSSBXPMN-UHFFFAOYSA-N 1 2 358.785 3.349 20 5 FGBDLO CCn1cc([C@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000450879823 501222991 /nfs/dbraw/zinc/22/29/91/501222991.db2.gz VQGZBRQXEYKHFX-ZDUSSCGKSA-N 1 2 352.398 3.172 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450932669 501232317 /nfs/dbraw/zinc/23/23/17/501232317.db2.gz SDFDKZVAQLUFPH-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402684 501284118 /nfs/dbraw/zinc/28/41/18/501284118.db2.gz BYYTWMWHTUNTBD-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402684 501284121 /nfs/dbraw/zinc/28/41/21/501284121.db2.gz BYYTWMWHTUNTBD-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409108 501285648 /nfs/dbraw/zinc/28/56/48/501285648.db2.gz PSTHTDDLPXAPAQ-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409108 501285650 /nfs/dbraw/zinc/28/56/50/501285650.db2.gz PSTHTDDLPXAPAQ-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO CCN1CC[NH+]([C@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596078436 506245208 /nfs/dbraw/zinc/24/52/08/506245208.db2.gz PEVGQARMEZPZNZ-GFCCVEGCSA-N 1 2 360.380 3.052 20 5 FGBDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546831 501319427 /nfs/dbraw/zinc/31/94/27/501319427.db2.gz KAFDHFQOGOUNEP-DZGCQCFKSA-N 1 2 358.398 3.098 20 5 FGBDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546831 501319428 /nfs/dbraw/zinc/31/94/28/501319428.db2.gz KAFDHFQOGOUNEP-DZGCQCFKSA-N 1 2 358.398 3.098 20 5 FGBDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548856 501320053 /nfs/dbraw/zinc/32/00/53/501320053.db2.gz ORJFVDPNMJJYDG-DZGCQCFKSA-N 1 2 360.414 3.455 20 5 FGBDLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548856 501320055 /nfs/dbraw/zinc/32/00/55/501320055.db2.gz ORJFVDPNMJJYDG-DZGCQCFKSA-N 1 2 360.414 3.455 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451901903 501396360 /nfs/dbraw/zinc/39/63/60/501396360.db2.gz NPLBDRXEIUUKDA-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451901903 501396364 /nfs/dbraw/zinc/39/63/64/501396364.db2.gz NPLBDRXEIUUKDA-SJKOYZFVSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459336229 501633690 /nfs/dbraw/zinc/63/36/90/501633690.db2.gz CRNXHNUHONIKSQ-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000602699639 506265832 /nfs/dbraw/zinc/26/58/32/506265832.db2.gz JNIXVRMLLDCHDQ-CQSZACIVSA-N 1 2 362.373 3.322 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000602699639 506265840 /nfs/dbraw/zinc/26/58/40/506265840.db2.gz JNIXVRMLLDCHDQ-CQSZACIVSA-N 1 2 362.373 3.322 20 5 FGBDLO COc1ccc(C[NH+]2CC(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459576573 501679987 /nfs/dbraw/zinc/67/99/87/501679987.db2.gz GJGBYXVAKPISEY-UHFFFAOYSA-N 1 2 358.394 3.013 20 5 FGBDLO Cn1nccc1-c1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459618820 501687844 /nfs/dbraw/zinc/68/78/44/501687844.db2.gz GDNUDEDUMNGLBP-UHFFFAOYSA-N 1 2 364.405 3.259 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000463502225 501744204 /nfs/dbraw/zinc/74/42/04/501744204.db2.gz PWUHXQRJOYTAMI-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000463502225 501744211 /nfs/dbraw/zinc/74/42/11/501744211.db2.gz PWUHXQRJOYTAMI-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470994928 501886115 /nfs/dbraw/zinc/88/61/15/501886115.db2.gz HIDQIHQVQYONCD-UHFFFAOYSA-N 1 2 371.462 3.338 20 5 FGBDLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470994928 501886120 /nfs/dbraw/zinc/88/61/20/501886120.db2.gz HIDQIHQVQYONCD-UHFFFAOYSA-N 1 2 371.462 3.338 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000485661996 501891286 /nfs/dbraw/zinc/89/12/86/501891286.db2.gz VVDZDOCMKHOSLN-UHFFFAOYSA-N 1 2 351.366 3.002 20 5 FGBDLO Cc1nc(NCc2[nH+]ccn2CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000471049880 501902592 /nfs/dbraw/zinc/90/25/92/501902592.db2.gz FLAQHQWTCBWBBS-UHFFFAOYSA-N 1 2 351.410 3.162 20 5 FGBDLO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)o1 ZINC000478236621 501917443 /nfs/dbraw/zinc/91/74/43/501917443.db2.gz UHAZDDKDUOUYLT-INIZCTEOSA-N 1 2 362.382 3.230 20 5 FGBDLO COC(=O)c1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000478275868 501928780 /nfs/dbraw/zinc/92/87/80/501928780.db2.gz FRSJAQUGTOQTGV-UHFFFAOYSA-N 1 2 357.370 3.270 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000464288530 501945032 /nfs/dbraw/zinc/94/50/32/501945032.db2.gz VROXIEPLSNKTPZ-UHFFFAOYSA-N 1 2 356.407 3.173 20 5 FGBDLO CCc1cc(N2CC[C@@H](C(=O)OC)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000468731182 502162213 /nfs/dbraw/zinc/16/22/13/502162213.db2.gz ADJRVDXARLPAME-BLLLJJGKSA-N 1 2 370.409 3.002 20 5 FGBDLO Cc1c(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000479464900 502267384 /nfs/dbraw/zinc/26/73/84/502267384.db2.gz PUNICYADKQDFLE-GOSISDBHSA-N 1 2 357.385 3.152 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000486934298 502307983 /nfs/dbraw/zinc/30/79/83/502307983.db2.gz GTDDGZFJXANLLT-UHFFFAOYSA-N 1 2 372.331 3.122 20 5 FGBDLO C[C@@H]1C[C@]2(CCO1)CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@H](C)O2 ZINC000599069951 506308553 /nfs/dbraw/zinc/30/85/53/506308553.db2.gz DFGYRDNESWUZJY-BIENJYKASA-N 1 2 357.410 3.306 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000599081746 506315166 /nfs/dbraw/zinc/31/51/66/506315166.db2.gz LWNFWRSMVIDOJS-WCQYABFASA-N 1 2 355.316 3.140 20 5 FGBDLO Cc1[nH+]c2ccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2n1C ZINC000476551649 502522922 /nfs/dbraw/zinc/52/29/22/502522922.db2.gz VILQPZLWYQIPQE-UHFFFAOYSA-N 1 2 372.812 3.416 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000466601039 502620484 /nfs/dbraw/zinc/62/04/84/502620484.db2.gz ZIPLMNNRRNYJFO-UHFFFAOYSA-N 1 2 374.828 3.222 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470123184 502668395 /nfs/dbraw/zinc/66/83/95/502668395.db2.gz DBLFWRNBLLJTFF-ZDUSSCGKSA-N 1 2 373.388 3.040 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000470214112 502707310 /nfs/dbraw/zinc/70/73/10/502707310.db2.gz BAQJRYWMRUMJTK-QINSGFPZSA-N 1 2 360.458 3.124 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000593006062 506331406 /nfs/dbraw/zinc/33/14/06/506331406.db2.gz DVSFOUXRBQRRGC-KUHUBIRLSA-N 1 2 370.405 3.343 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000593006062 506331411 /nfs/dbraw/zinc/33/14/11/506331411.db2.gz DVSFOUXRBQRRGC-KUHUBIRLSA-N 1 2 370.405 3.343 20 5 FGBDLO Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC000488578948 502755238 /nfs/dbraw/zinc/75/52/38/502755238.db2.gz ILHUVVFWESMEJJ-UHFFFAOYSA-N 1 2 354.288 3.061 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000513147350 502864197 /nfs/dbraw/zinc/86/41/97/502864197.db2.gz ASBXIQVWXQDOMB-SFHVURJKSA-N 1 2 364.348 3.441 20 5 FGBDLO Cc1cc(NCCn2cnc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489281522 502918142 /nfs/dbraw/zinc/91/81/42/502918142.db2.gz BHFMWGGCOLTJTP-UHFFFAOYSA-N 1 2 374.404 3.244 20 5 FGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505508161 502921073 /nfs/dbraw/zinc/92/10/73/502921073.db2.gz UUINREIELOJETH-SFHVURJKSA-N 1 2 368.368 3.002 20 5 FGBDLO Cc1ccn2cc(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000489307999 502925076 /nfs/dbraw/zinc/92/50/76/502925076.db2.gz WLYVWRIATWVZHD-AWEZNQCLSA-N 1 2 367.409 3.420 20 5 FGBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509700667 502970663 /nfs/dbraw/zinc/97/06/63/502970663.db2.gz UHMZOTZHHTUAMZ-LBPRGKRZSA-N 1 2 369.412 3.247 20 5 FGBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509700667 502970664 /nfs/dbraw/zinc/97/06/64/502970664.db2.gz UHMZOTZHHTUAMZ-LBPRGKRZSA-N 1 2 369.412 3.247 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513673413 502997726 /nfs/dbraw/zinc/99/77/26/502997726.db2.gz QPHHFATZUMLNSG-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO Cc1cccc(OCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513697176 503002854 /nfs/dbraw/zinc/00/28/54/503002854.db2.gz KKDRVOGKMNLREQ-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513991732 503062046 /nfs/dbraw/zinc/06/20/46/503062046.db2.gz JTAWJFISYWEJIT-INIZCTEOSA-N 1 2 363.776 3.174 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506262740 503081166 /nfs/dbraw/zinc/08/11/66/503081166.db2.gz QHCDWNABJAMCCN-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506262740 503081169 /nfs/dbraw/zinc/08/11/69/503081169.db2.gz QHCDWNABJAMCCN-HNNXBMFYSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1cccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000514084477 503083644 /nfs/dbraw/zinc/08/36/44/503083644.db2.gz QAFRNADKIYFJKO-SFHVURJKSA-N 1 2 352.394 3.216 20 5 FGBDLO COCc1cccc(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514092112 503084650 /nfs/dbraw/zinc/08/46/50/503084650.db2.gz BYUDMOLKSQGUPB-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO COc1cc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490036134 503094902 /nfs/dbraw/zinc/09/49/02/503094902.db2.gz DWOXAAULTBHFGE-UHFFFAOYSA-N 1 2 366.421 3.480 20 5 FGBDLO O=[N+]([O-])c1ccccc1CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510456338 503118242 /nfs/dbraw/zinc/11/82/42/503118242.db2.gz FVVJUWVIFGWPOQ-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000498308901 503155170 /nfs/dbraw/zinc/15/51/70/503155170.db2.gz HACHSIWOLIMSFL-CYBMUJFWSA-N 1 2 366.377 3.280 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000502346843 503184174 /nfs/dbraw/zinc/18/41/74/503184174.db2.gz DPTJPGLZRWFPLC-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000507008801 503212291 /nfs/dbraw/zinc/21/22/91/503212291.db2.gz VXJZAFGABPCUKP-UHFFFAOYSA-N 1 2 367.449 3.424 20 5 FGBDLO Cc1nn2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c(C)nc2s1 ZINC000507170421 503242133 /nfs/dbraw/zinc/24/21/33/503242133.db2.gz NNMIJNJMFHNBLA-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO Cc1nn2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c(C)nc2s1 ZINC000507170421 503242137 /nfs/dbraw/zinc/24/21/37/503242137.db2.gz NNMIJNJMFHNBLA-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502745576 503262735 /nfs/dbraw/zinc/26/27/35/503262735.db2.gz ZIKQAWWDSWWNIE-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO Cc1cc(N2CCO[C@](C)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596335621 506361428 /nfs/dbraw/zinc/36/14/28/506361428.db2.gz YKCYKVLYEKZGGZ-IBGZPJMESA-N 1 2 354.410 3.366 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)c(Cl)c1 ZINC000491335016 503297680 /nfs/dbraw/zinc/29/76/80/503297680.db2.gz PTVFVJAFTCYJCN-UHFFFAOYSA-N 1 2 357.801 3.178 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503045696 503333600 /nfs/dbraw/zinc/33/36/00/503333600.db2.gz DVSYORTZHBYIGM-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503045696 503333604 /nfs/dbraw/zinc/33/36/04/503333604.db2.gz DVSYORTZHBYIGM-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602961788 506367006 /nfs/dbraw/zinc/36/70/06/506367006.db2.gz CXQDVMOVLPRKPM-OAHLLOKOSA-N 1 2 356.209 3.294 20 5 FGBDLO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492783535 503384354 /nfs/dbraw/zinc/38/43/54/503384354.db2.gz LUPHARJYPRABMS-LJQANCHMSA-N 1 2 364.405 3.499 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512243725 503496731 /nfs/dbraw/zinc/49/67/31/503496731.db2.gz KTZPKGBGSFSCFE-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512243725 503496734 /nfs/dbraw/zinc/49/67/34/503496734.db2.gz KTZPKGBGSFSCFE-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000504323819 503556510 /nfs/dbraw/zinc/55/65/10/503556510.db2.gz FLFFTUQJROZTQD-CQSZACIVSA-N 1 2 362.389 3.431 20 5 FGBDLO O=C(CCCc1ccccc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000512587782 503590745 /nfs/dbraw/zinc/59/07/45/503590745.db2.gz RLWXAOMSZQRIHV-UHFFFAOYSA-N 1 2 367.449 3.262 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494708863 503598206 /nfs/dbraw/zinc/59/82/06/503598206.db2.gz MJOYNBLESJWNNX-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494708863 503598208 /nfs/dbraw/zinc/59/82/08/503598208.db2.gz MJOYNBLESJWNNX-AWEZNQCLSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)NC(=O)CO2 ZINC000509008746 503618712 /nfs/dbraw/zinc/61/87/12/503618712.db2.gz QBKVKCUITJSDHM-VIFPVBQESA-N 1 2 363.320 3.055 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000517064558 503653851 /nfs/dbraw/zinc/65/38/51/503653851.db2.gz AGSIJVCPDLVAGY-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000517064558 503653857 /nfs/dbraw/zinc/65/38/57/503653857.db2.gz AGSIJVCPDLVAGY-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000517968219 503878022 /nfs/dbraw/zinc/87/80/22/503878022.db2.gz BUVVXDDEYWYCKE-HKUYNNGSSA-N 1 2 367.449 3.254 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000517968219 503878024 /nfs/dbraw/zinc/87/80/24/503878024.db2.gz BUVVXDDEYWYCKE-HKUYNNGSSA-N 1 2 367.449 3.254 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000543899448 503932754 /nfs/dbraw/zinc/93/27/54/503932754.db2.gz NIYQKTBWJWPMGV-UHFFFAOYSA-N 1 2 354.366 3.302 20 5 FGBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000541055642 503988859 /nfs/dbraw/zinc/98/88/59/503988859.db2.gz SSQSWXVERBHSEB-QGZVFWFLSA-N 1 2 368.393 3.030 20 5 FGBDLO CCC[C@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541348960 504101210 /nfs/dbraw/zinc/10/12/10/504101210.db2.gz SFFFMOYONRAMJG-QGZVFWFLSA-N 1 2 354.472 3.271 20 5 FGBDLO CCC[C@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541348960 504101213 /nfs/dbraw/zinc/10/12/13/504101213.db2.gz SFFFMOYONRAMJG-QGZVFWFLSA-N 1 2 354.472 3.271 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000541780034 504252089 /nfs/dbraw/zinc/25/20/89/504252089.db2.gz ABOIRPNIYKJBLM-UHFFFAOYSA-N 1 2 364.402 3.145 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1C ZINC000534959147 504293764 /nfs/dbraw/zinc/29/37/64/504293764.db2.gz CBMGWMUPCFOZEY-UHFFFAOYSA-N 1 2 368.393 3.369 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccc(C)[nH+]c3)CC2)c1 ZINC000542119805 504370539 /nfs/dbraw/zinc/37/05/39/504370539.db2.gz KCAYRIXENXKHRK-UHFFFAOYSA-N 1 2 355.394 3.469 20 5 FGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000535725112 504521545 /nfs/dbraw/zinc/52/15/45/504521545.db2.gz QBGMKLQXFMQUDG-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000548738224 504547068 /nfs/dbraw/zinc/54/70/68/504547068.db2.gz YHIKELGUAWHLCK-UHFFFAOYSA-N 1 2 364.405 3.041 20 5 FGBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000532241316 504583336 /nfs/dbraw/zinc/58/33/36/504583336.db2.gz SLRIIARIBZGUDL-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cs1 ZINC000549075244 504675944 /nfs/dbraw/zinc/67/59/44/504675944.db2.gz REBUEWJVZVLWCE-UHFFFAOYSA-N 1 2 355.423 3.402 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cs1 ZINC000549075244 504675947 /nfs/dbraw/zinc/67/59/47/504675947.db2.gz REBUEWJVZVLWCE-UHFFFAOYSA-N 1 2 355.423 3.402 20 5 FGBDLO CCc1cc(SCC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536391344 504720341 /nfs/dbraw/zinc/72/03/41/504720341.db2.gz VSXWUEWZCZAKPP-UHFFFAOYSA-N 1 2 374.466 3.039 20 5 FGBDLO CC(=O)c1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000553251804 504864964 /nfs/dbraw/zinc/86/49/64/504864964.db2.gz JZHYQXCOZJSYJJ-SFHVURJKSA-N 1 2 369.421 3.110 20 5 FGBDLO CC(=O)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000553251804 504864972 /nfs/dbraw/zinc/86/49/72/504864972.db2.gz JZHYQXCOZJSYJJ-SFHVURJKSA-N 1 2 369.421 3.110 20 5 FGBDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000553357481 504893436 /nfs/dbraw/zinc/89/34/36/504893436.db2.gz QSFPALLNWOQYHB-KRWDZBQOSA-N 1 2 350.378 3.156 20 5 FGBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(Br)cn1 ZINC000566476110 505185747 /nfs/dbraw/zinc/18/57/47/505185747.db2.gz UFPSRZIYGFSRHY-TVQRCGJNSA-N 1 2 363.215 3.485 20 5 FGBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000551555357 505252118 /nfs/dbraw/zinc/25/21/18/505252118.db2.gz VZGXUOYOGBTMJS-UHFFFAOYSA-N 1 2 355.442 3.005 20 5 FGBDLO COc1ccc(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1[N+](=O)[O-] ZINC000555359697 505416909 /nfs/dbraw/zinc/41/69/09/505416909.db2.gz AIUNOSFYUSIPPY-UHFFFAOYSA-N 1 2 366.377 3.483 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000552424057 505489130 /nfs/dbraw/zinc/48/91/30/505489130.db2.gz GANGDRVPEQYBBJ-HNNXBMFYSA-N 1 2 350.415 3.003 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000552424057 505489134 /nfs/dbraw/zinc/48/91/34/505489134.db2.gz GANGDRVPEQYBBJ-HNNXBMFYSA-N 1 2 350.415 3.003 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000593091832 506388187 /nfs/dbraw/zinc/38/81/87/506388187.db2.gz LIAWBKHZNNTBFH-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000593091832 506388195 /nfs/dbraw/zinc/38/81/95/506388195.db2.gz LIAWBKHZNNTBFH-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](CCF)C1 ZINC000596481020 506426620 /nfs/dbraw/zinc/42/66/20/506426620.db2.gz RYIBMWFJQQPWLK-HNNXBMFYSA-N 1 2 351.422 3.003 20 5 FGBDLO Cc1c(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000596635207 506502289 /nfs/dbraw/zinc/50/22/89/506502289.db2.gz JEDLUZHPZGCNJE-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000589498409 506570373 /nfs/dbraw/zinc/57/03/73/506570373.db2.gz VFUYBSIZIMQHTM-HXUWFJFHSA-N 1 2 370.405 3.129 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000589498409 506570380 /nfs/dbraw/zinc/57/03/80/506570380.db2.gz VFUYBSIZIMQHTM-HXUWFJFHSA-N 1 2 370.405 3.129 20 5 FGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000603786545 506618686 /nfs/dbraw/zinc/61/86/86/506618686.db2.gz YAERQYSMSYPKAX-UHFFFAOYSA-N 1 2 368.396 3.441 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599829581 506661492 /nfs/dbraw/zinc/66/14/92/506661492.db2.gz IQYZKBLRYGGAIX-LBPRGKRZSA-N 1 2 366.381 3.278 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000599829850 506664335 /nfs/dbraw/zinc/66/43/35/506664335.db2.gz NFSZJBGNZVAIOV-UHFFFAOYSA-N 1 2 366.381 3.209 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000599832254 506664942 /nfs/dbraw/zinc/66/49/42/506664942.db2.gz UCHZFINRLMDTGA-UHFFFAOYSA-N 1 2 366.381 3.278 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599832254 506664946 /nfs/dbraw/zinc/66/49/46/506664946.db2.gz UCHZFINRLMDTGA-UHFFFAOYSA-N 1 2 366.381 3.278 20 5 FGBDLO C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000604130474 506724380 /nfs/dbraw/zinc/72/43/80/506724380.db2.gz JXVRSQWVWHLPRN-LLVKDONJSA-N 1 2 373.800 3.456 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000609155936 506796190 /nfs/dbraw/zinc/79/61/90/506796190.db2.gz AYXIVMWLOGTKIZ-CQSZACIVSA-N 1 2 374.466 3.479 20 5 FGBDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000604413055 506824286 /nfs/dbraw/zinc/82/42/86/506824286.db2.gz RYAMMZULYRIVHD-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000604413055 506824292 /nfs/dbraw/zinc/82/42/92/506824292.db2.gz RYAMMZULYRIVHD-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000609483618 506894653 /nfs/dbraw/zinc/89/46/53/506894653.db2.gz KGOAWRXYUOBWHW-DZGCQCFKSA-N 1 2 362.348 3.270 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000609483618 506894663 /nfs/dbraw/zinc/89/46/63/506894663.db2.gz KGOAWRXYUOBWHW-DZGCQCFKSA-N 1 2 362.348 3.270 20 5 FGBDLO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000597704178 507067434 /nfs/dbraw/zinc/06/74/34/507067434.db2.gz MYGSIIJCAWYQBI-UHFFFAOYSA-N 1 2 361.442 3.027 20 5 FGBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610032589 507077234 /nfs/dbraw/zinc/07/72/34/507077234.db2.gz LQLOQJPKIRTNFP-UHFFFAOYSA-N 1 2 366.786 3.005 20 5 FGBDLO COC(=O)C1CCN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000600788965 507122505 /nfs/dbraw/zinc/12/25/05/507122505.db2.gz DMQCSSZTWHMMMH-UHFFFAOYSA-N 1 2 355.394 3.355 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000597941504 507190749 /nfs/dbraw/zinc/19/07/49/507190749.db2.gz QTIDHKNRTBOTQB-CYBMUJFWSA-N 1 2 372.400 3.149 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000610434885 507237725 /nfs/dbraw/zinc/23/77/25/507237725.db2.gz OVDKDXQXNUULBX-UHFFFAOYSA-N 1 2 372.812 3.106 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000601300000 507328516 /nfs/dbraw/zinc/32/85/16/507328516.db2.gz SOOUSACSNXZFSK-QGZVFWFLSA-N 1 2 352.398 3.063 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000610718650 507362033 /nfs/dbraw/zinc/36/20/33/507362033.db2.gz NRBDJSVWJRIGFW-QGZVFWFLSA-N 1 2 372.425 3.106 20 5 FGBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000610786755 507389779 /nfs/dbraw/zinc/38/97/79/507389779.db2.gz FNIHVBXMBRSWCZ-SNVBAGLBSA-N 1 2 350.346 3.308 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610786793 507390073 /nfs/dbraw/zinc/39/00/73/507390073.db2.gz VDIBCNBFBKQKSK-INIZCTEOSA-N 1 2 370.327 3.317 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000598396941 507408805 /nfs/dbraw/zinc/40/88/05/507408805.db2.gz QEAYLYILNBKXRY-MRXNPFEDSA-N 1 2 354.410 3.433 20 5 FGBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000598437321 507427382 /nfs/dbraw/zinc/42/73/82/507427382.db2.gz IYKIBJRYVXAPBB-GOSISDBHSA-N 1 2 372.425 3.106 20 5 FGBDLO CCc1cnc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC000595328017 507461619 /nfs/dbraw/zinc/46/16/19/507461619.db2.gz UNQMGKXAJIZZPV-UHFFFAOYSA-N 1 2 350.419 3.075 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135209 507498421 /nfs/dbraw/zinc/49/84/21/507498421.db2.gz BVGCWFGLHZAGSX-OCCSQVGLSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592135209 507498429 /nfs/dbraw/zinc/49/84/29/507498429.db2.gz BVGCWFGLHZAGSX-OCCSQVGLSA-N 1 2 374.441 3.271 20 5 FGBDLO COc1ccncc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132650 507498968 /nfs/dbraw/zinc/49/89/68/507498968.db2.gz MBFBCLDGZZSUAU-IYARVYRRSA-N 1 2 371.437 3.304 20 5 FGBDLO COc1ccncc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132650 507498978 /nfs/dbraw/zinc/49/89/78/507498978.db2.gz MBFBCLDGZZSUAU-IYARVYRRSA-N 1 2 371.437 3.304 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)ccc1F ZINC000595476440 507519139 /nfs/dbraw/zinc/51/91/39/507519139.db2.gz MFPPXKDFBIFGOJ-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1noc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000595477682 507521527 /nfs/dbraw/zinc/52/15/27/507521527.db2.gz SKNHPYPPXSNZIH-CYBMUJFWSA-N 1 2 367.203 3.290 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000611265008 507589573 /nfs/dbraw/zinc/58/95/73/507589573.db2.gz IGJXYLGBMDYILA-XOBRGWDASA-N 1 2 370.405 3.328 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000611265008 507589584 /nfs/dbraw/zinc/58/95/84/507589584.db2.gz IGJXYLGBMDYILA-XOBRGWDASA-N 1 2 370.405 3.328 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595615792 507593543 /nfs/dbraw/zinc/59/35/43/507593543.db2.gz MZYXFLXMEZXXGY-ZDUSSCGKSA-N 1 2 373.409 3.403 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595699904 507635474 /nfs/dbraw/zinc/63/54/74/507635474.db2.gz BJHTVCYLAJMEPP-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595699904 507635481 /nfs/dbraw/zinc/63/54/81/507635481.db2.gz BJHTVCYLAJMEPP-QGZVFWFLSA-N 1 2 355.369 3.070 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595760680 507671954 /nfs/dbraw/zinc/67/19/54/507671954.db2.gz VGXYCMRIPVOFGW-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595760680 507671959 /nfs/dbraw/zinc/67/19/59/507671959.db2.gz VGXYCMRIPVOFGW-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2n1CCCCC2 ZINC000595799509 507692488 /nfs/dbraw/zinc/69/24/88/507692488.db2.gz LXBONCLBNDDLLU-CYBMUJFWSA-N 1 2 369.429 3.030 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555135 507737091 /nfs/dbraw/zinc/73/70/91/507737091.db2.gz ONEGSZNNMMBDJM-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555135 507737096 /nfs/dbraw/zinc/73/70/96/507737096.db2.gz ONEGSZNNMMBDJM-WCQYABFASA-N 1 2 371.359 3.147 20 5 FGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052926543 695925946 /nfs/dbraw/zinc/92/59/46/695925946.db2.gz LNHGZRLFHMIFKL-UHFFFAOYSA-N 1 2 353.394 3.223 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000153475717 705000717 /nfs/dbraw/zinc/00/07/17/705000717.db2.gz QBPOISJFRBRULH-MRXNPFEDSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000153475717 705000723 /nfs/dbraw/zinc/00/07/23/705000723.db2.gz QBPOISJFRBRULH-MRXNPFEDSA-N 1 2 359.813 3.311 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187640206 712750378 /nfs/dbraw/zinc/75/03/78/712750378.db2.gz WKYFABDJLWBZMH-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187640206 712750380 /nfs/dbraw/zinc/75/03/80/712750380.db2.gz WKYFABDJLWBZMH-YVEFUNNKSA-N 1 2 369.849 3.060 20 5 FGBDLO C[NH+](C)[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000803424088 724449788 /nfs/dbraw/zinc/44/97/88/724449788.db2.gz IICCRVMUILHBNH-INIZCTEOSA-N 1 2 350.321 3.219 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H](OC(F)F)C3)c2)cc1 ZINC000781152117 724532570 /nfs/dbraw/zinc/53/25/70/724532570.db2.gz MGYCCSLMWNFUTR-HNNXBMFYSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@H](OC(F)F)C3)c2)cc1 ZINC000781152117 724532573 /nfs/dbraw/zinc/53/25/73/724532573.db2.gz MGYCCSLMWNFUTR-HNNXBMFYSA-N 1 2 352.341 3.119 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000790267315 723119820 /nfs/dbraw/zinc/11/98/20/723119820.db2.gz VPVOAJNFNKUGSI-NSHDSACASA-N 1 2 364.789 3.073 20 5 FGBDLO O=[N+]([O-])c1cc(-c2nc(CCC(F)(F)F)no2)ccc1-n1cc[nH+]c1 ZINC000761601741 723169237 /nfs/dbraw/zinc/16/92/37/723169237.db2.gz IGSMEUOBWDZTSZ-UHFFFAOYSA-N 1 2 353.260 3.325 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1cccnc1)CC2 ZINC000792891666 723377883 /nfs/dbraw/zinc/37/78/83/723377883.db2.gz HSVNWLHRACMJRQ-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1cccnc1)CC2 ZINC000792891666 723377886 /nfs/dbraw/zinc/37/78/86/723377886.db2.gz HSVNWLHRACMJRQ-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(F)c1 ZINC000795984647 723616266 /nfs/dbraw/zinc/61/62/66/723616266.db2.gz LGYGUDMSRONJFG-KRWDZBQOSA-N 1 2 352.312 3.106 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(F)c1 ZINC000795984647 723616267 /nfs/dbraw/zinc/61/62/67/723616267.db2.gz LGYGUDMSRONJFG-KRWDZBQOSA-N 1 2 352.312 3.106 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(CN3CCC[C@@H](n4cc[nH+]c4)C3)c2c(Cl)c1 ZINC000774638151 723913228 /nfs/dbraw/zinc/91/32/28/723913228.db2.gz QFCYBPOKGKWQAZ-CYBMUJFWSA-N 1 2 360.805 3.089 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000801557841 724313049 /nfs/dbraw/zinc/31/30/49/724313049.db2.gz ISNAUVUYXLAGIT-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000801557841 724313053 /nfs/dbraw/zinc/31/30/53/724313053.db2.gz ISNAUVUYXLAGIT-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805800618 725096954 /nfs/dbraw/zinc/09/69/54/725096954.db2.gz HZOXNFOEKWAOJO-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805800618 725096957 /nfs/dbraw/zinc/09/69/57/725096957.db2.gz HZOXNFOEKWAOJO-FZMZJTMJSA-N 1 2 353.394 3.221 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1Cl ZINC000809395941 725241964 /nfs/dbraw/zinc/24/19/64/725241964.db2.gz UAYVUAFFHTWUSN-UHFFFAOYSA-N 1 2 374.205 3.048 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000817141272 727224236 /nfs/dbraw/zinc/22/42/36/727224236.db2.gz GCKIDXLAHOFLLS-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)ccc1Br ZINC000817293310 727237590 /nfs/dbraw/zinc/23/75/90/727237590.db2.gz ZUPDJPCTYVBQRJ-GFCCVEGCSA-N 1 2 355.232 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)ccc1Br ZINC000817293310 727237592 /nfs/dbraw/zinc/23/75/92/727237592.db2.gz ZUPDJPCTYVBQRJ-GFCCVEGCSA-N 1 2 355.232 3.237 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827342221 729428951 /nfs/dbraw/zinc/42/89/51/729428951.db2.gz FYVPXBHDFMGCEN-GDBMZVCRSA-N 1 2 371.840 3.176 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000827342221 729428952 /nfs/dbraw/zinc/42/89/52/729428952.db2.gz FYVPXBHDFMGCEN-GDBMZVCRSA-N 1 2 371.840 3.176 20 5 FGBDLO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000841687211 730264241 /nfs/dbraw/zinc/26/42/41/730264241.db2.gz ZPFVWQJIRJXBGT-HNNXBMFYSA-N 1 2 350.369 3.351 20 5 FGBDLO Cc1nn(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000841687211 730264243 /nfs/dbraw/zinc/26/42/43/730264243.db2.gz ZPFVWQJIRJXBGT-HNNXBMFYSA-N 1 2 350.369 3.351 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847037589 731009911 /nfs/dbraw/zinc/00/99/11/731009911.db2.gz PPADHCAKIJSXFG-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847037589 731009915 /nfs/dbraw/zinc/00/99/15/731009915.db2.gz PPADHCAKIJSXFG-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(NCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000857384011 732127728 /nfs/dbraw/zinc/12/77/28/732127728.db2.gz UGBGYSGDPILLAI-LLVKDONJSA-N 1 2 369.208 3.094 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963166 737091750 /nfs/dbraw/zinc/09/17/50/737091750.db2.gz YAERRXUFLOTJNE-VXGBXAGGSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963166 737091752 /nfs/dbraw/zinc/09/17/52/737091752.db2.gz YAERRXUFLOTJNE-VXGBXAGGSA-N 1 2 369.849 3.058 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000906543633 744141618 /nfs/dbraw/zinc/14/16/18/744141618.db2.gz XGYNUJDECUFNKF-CYBMUJFWSA-N 1 2 362.817 3.310 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000935678172 761920149 /nfs/dbraw/zinc/92/01/49/761920149.db2.gz WDAAKVAPMYZKTD-GFCCVEGCSA-N 1 2 360.439 3.070 20 5 FGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000917524361 758233410 /nfs/dbraw/zinc/23/34/10/758233410.db2.gz HJAYQIGGMRBKTB-YVMONPNESA-N 1 2 357.435 3.014 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)(Cc3ccccn3)CC2)c1 ZINC000930982659 760745837 /nfs/dbraw/zinc/74/58/37/760745837.db2.gz IYJVNSHZCAEIBP-UHFFFAOYSA-N 1 2 361.829 3.213 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)nc2c1 ZINC000932203687 761086183 /nfs/dbraw/zinc/08/61/83/761086183.db2.gz LZQLBJADGREQSU-GFCCVEGCSA-N 1 2 357.439 3.382 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](Cc4nccs4)C3)nc2c1 ZINC000932203687 761086198 /nfs/dbraw/zinc/08/61/98/761086198.db2.gz LZQLBJADGREQSU-GFCCVEGCSA-N 1 2 357.439 3.382 20 5 FGBDLO COc1ccc(C[N@@H+]2CCCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000933980109 761513719 /nfs/dbraw/zinc/51/37/19/761513719.db2.gz BSTZBZHLAMVQMV-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1ccc(C[N@H+]2CCCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000933980109 761513724 /nfs/dbraw/zinc/51/37/24/761513724.db2.gz BSTZBZHLAMVQMV-INIZCTEOSA-N 1 2 362.455 3.017 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000933982695 761515352 /nfs/dbraw/zinc/51/53/52/761515352.db2.gz QSJZGSVGQBXNKV-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000933982695 761515355 /nfs/dbraw/zinc/51/53/55/761515355.db2.gz QSJZGSVGQBXNKV-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000576992188 505640136 /nfs/dbraw/zinc/64/01/36/505640136.db2.gz WETPTQVZNHQJRO-CYBMUJFWSA-N 1 2 372.759 3.493 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000576992188 505640140 /nfs/dbraw/zinc/64/01/40/505640140.db2.gz WETPTQVZNHQJRO-CYBMUJFWSA-N 1 2 372.759 3.493 20 5 FGBDLO COC(=O)N1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000057828419 493805205 /nfs/dbraw/zinc/80/52/05/493805205.db2.gz WQKJTYIVVQYNFO-UHFFFAOYSA-N 1 2 371.397 3.003 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000081090310 493829282 /nfs/dbraw/zinc/82/92/82/493829282.db2.gz BNLCQRGZTSTHOP-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO Cc1sc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000029669817 493850399 /nfs/dbraw/zinc/85/03/99/493850399.db2.gz OIEIOALCNNNCQO-UHFFFAOYSA-N 1 2 356.407 3.140 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029658610 493850447 /nfs/dbraw/zinc/85/04/47/493850447.db2.gz LTRNXINHLLXGPD-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000029658610 493850451 /nfs/dbraw/zinc/85/04/51/493850451.db2.gz LTRNXINHLLXGPD-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342717 493871455 /nfs/dbraw/zinc/87/14/55/493871455.db2.gz VBZIUAMJJFIAIF-UHFFFAOYSA-N 1 2 363.439 3.434 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342717 493871460 /nfs/dbraw/zinc/87/14/60/493871460.db2.gz VBZIUAMJJFIAIF-UHFFFAOYSA-N 1 2 363.439 3.434 20 5 FGBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000049603070 493876925 /nfs/dbraw/zinc/87/69/25/493876925.db2.gz BCBYTRQYAJCPIQ-UHFFFAOYSA-N 1 2 366.377 3.393 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000081573771 493921140 /nfs/dbraw/zinc/92/11/40/493921140.db2.gz OTDAFVKAXGSPEA-DJJJIMSYSA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000081573771 493921146 /nfs/dbraw/zinc/92/11/46/493921146.db2.gz OTDAFVKAXGSPEA-DJJJIMSYSA-N 1 2 355.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COCc2ccccc2)cc1 ZINC000051451883 493970079 /nfs/dbraw/zinc/97/00/79/493970079.db2.gz TWWVZEJKBBRLKF-SFHVURJKSA-N 1 2 353.378 3.036 20 5 FGBDLO COCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032163815 493977054 /nfs/dbraw/zinc/97/70/54/493977054.db2.gz JJJBKXCUTSJJPU-UHFFFAOYSA-N 1 2 352.350 3.179 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007039281 493995725 /nfs/dbraw/zinc/99/57/25/493995725.db2.gz RXQAZWKHPYZDEZ-OAHLLOKOSA-N 1 2 362.817 3.362 20 5 FGBDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007039281 493995726 /nfs/dbraw/zinc/99/57/26/493995726.db2.gz RXQAZWKHPYZDEZ-OAHLLOKOSA-N 1 2 362.817 3.362 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000051996588 493996854 /nfs/dbraw/zinc/99/68/54/493996854.db2.gz ZYJJBRIYCDOUAT-GXTWGEPZSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000051996588 493996858 /nfs/dbraw/zinc/99/68/58/493996858.db2.gz ZYJJBRIYCDOUAT-GXTWGEPZSA-N 1 2 372.368 3.348 20 5 FGBDLO Cc1sc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032613388 494000091 /nfs/dbraw/zinc/00/00/91/494000091.db2.gz CDPXJGOBLDSWIX-HNNXBMFYSA-N 1 2 356.407 3.218 20 5 FGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000083169034 494001521 /nfs/dbraw/zinc/00/15/21/494001521.db2.gz SWLPKZHYFQYRJQ-UHFFFAOYSA-N 1 2 366.377 3.253 20 5 FGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000083169034 494001524 /nfs/dbraw/zinc/00/15/24/494001524.db2.gz SWLPKZHYFQYRJQ-UHFFFAOYSA-N 1 2 366.377 3.253 20 5 FGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000063713883 494079114 /nfs/dbraw/zinc/07/91/14/494079114.db2.gz WAGIEOXWNWJFGM-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053172476 494101036 /nfs/dbraw/zinc/10/10/36/494101036.db2.gz CFAUDKJLPBBAJP-CYBMUJFWSA-N 1 2 352.394 3.384 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000053330299 494117866 /nfs/dbraw/zinc/11/78/66/494117866.db2.gz WZVQXGACEFAYKA-AWEZNQCLSA-N 1 2 357.410 3.324 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1ccccc1)C1CC1 ZINC000088605983 494252846 /nfs/dbraw/zinc/25/28/46/494252846.db2.gz KSUWRICLPQMORL-OAQYLSRUSA-N 1 2 365.433 3.220 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1ccccc1)C1CC1 ZINC000088605983 494252850 /nfs/dbraw/zinc/25/28/50/494252850.db2.gz KSUWRICLPQMORL-OAQYLSRUSA-N 1 2 365.433 3.220 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000088716814 494256598 /nfs/dbraw/zinc/25/65/98/494256598.db2.gz GHJLHOVQCVMLMD-UHFFFAOYSA-N 1 2 354.410 3.349 20 5 FGBDLO Cc1ccnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000078412928 494293561 /nfs/dbraw/zinc/29/35/61/494293561.db2.gz BNEZRHSFEIFCGA-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1ccnc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000078412928 494293564 /nfs/dbraw/zinc/29/35/64/494293564.db2.gz BNEZRHSFEIFCGA-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000078463603 494300458 /nfs/dbraw/zinc/30/04/58/494300458.db2.gz OCAKXYJDKLIHGF-CYBMUJFWSA-N 1 2 363.849 3.173 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000043946585 494331280 /nfs/dbraw/zinc/33/12/80/494331280.db2.gz KTPVIFVLEGQJDF-UHFFFAOYSA-N 1 2 362.455 3.360 20 5 FGBDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000016978066 494404778 /nfs/dbraw/zinc/40/47/78/494404778.db2.gz SIZMAIUCIHDAJD-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1sc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000079255547 494425848 /nfs/dbraw/zinc/42/58/48/494425848.db2.gz RHFSEBAGIDDFSH-UHFFFAOYSA-N 1 2 360.439 3.280 20 5 FGBDLO O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067093214 494474948 /nfs/dbraw/zinc/47/49/48/494474948.db2.gz AZUWKUHZZCBHKO-JKSUJKDBSA-N 1 2 366.352 3.206 20 5 FGBDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021917742 494510706 /nfs/dbraw/zinc/51/07/06/494510706.db2.gz OVIXAQOAHONBIM-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021917742 494510710 /nfs/dbraw/zinc/51/07/10/494510710.db2.gz OVIXAQOAHONBIM-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341591 494517643 /nfs/dbraw/zinc/51/76/43/494517643.db2.gz CDMMSOFQYDZPLB-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341591 494517647 /nfs/dbraw/zinc/51/76/47/494517647.db2.gz CDMMSOFQYDZPLB-GASCZTMLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000046342298 494518092 /nfs/dbraw/zinc/51/80/92/494518092.db2.gz CUVIGMPIGSQBQQ-HUUCEWRRSA-N 1 2 369.421 3.456 20 5 FGBDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599495 494539539 /nfs/dbraw/zinc/53/95/39/494539539.db2.gz HLNXXIISJCLDFE-WMLDXEAASA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599495 494539544 /nfs/dbraw/zinc/53/95/44/494539544.db2.gz HLNXXIISJCLDFE-WMLDXEAASA-N 1 2 369.421 3.055 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000074511511 494550898 /nfs/dbraw/zinc/55/08/98/494550898.db2.gz BFFIWQHRGSNRGB-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO CCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000091212469 494562529 /nfs/dbraw/zinc/56/25/29/494562529.db2.gz QHCXMUNUBVXDQQ-UHFFFAOYSA-N 1 2 366.377 3.109 20 5 FGBDLO CC(C)NC(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000023618101 494573307 /nfs/dbraw/zinc/57/33/07/494573307.db2.gz AFUCQMZUWKSXBB-UHFFFAOYSA-N 1 2 367.409 3.035 20 5 FGBDLO Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000080582967 494737796 /nfs/dbraw/zinc/73/77/96/494737796.db2.gz YRMUUPKADVALHG-INIZCTEOSA-N 1 2 371.890 3.176 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000108669905 494758500 /nfs/dbraw/zinc/75/85/00/494758500.db2.gz OCAJRCPWDSHDJO-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000026171677 494806224 /nfs/dbraw/zinc/80/62/24/494806224.db2.gz JNAXCLXJWVZZQQ-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348680 494820778 /nfs/dbraw/zinc/82/07/78/494820778.db2.gz FXSAANGDDMWTMX-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348680 494820783 /nfs/dbraw/zinc/82/07/83/494820783.db2.gz FXSAANGDDMWTMX-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000109008304 494821386 /nfs/dbraw/zinc/82/13/86/494821386.db2.gz ZGCYHYJQDYXDDZ-UHFFFAOYSA-N 1 2 366.377 3.052 20 5 FGBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093384369 494883404 /nfs/dbraw/zinc/88/34/04/494883404.db2.gz DWXSUDWABKSPHY-LBPRGKRZSA-N 1 2 368.480 3.188 20 5 FGBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093384369 494883405 /nfs/dbraw/zinc/88/34/05/494883405.db2.gz DWXSUDWABKSPHY-LBPRGKRZSA-N 1 2 368.480 3.188 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132582478 494895739 /nfs/dbraw/zinc/89/57/39/494895739.db2.gz PIFVFZOBEWATOA-UHFFFAOYSA-N 1 2 370.331 3.396 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000093926846 494935532 /nfs/dbraw/zinc/93/55/32/494935532.db2.gz KVJHUFURTPAANJ-UHFFFAOYSA-N 1 2 368.437 3.445 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000127949532 495021348 /nfs/dbraw/zinc/02/13/48/495021348.db2.gz KTQPQOCUCZUZFJ-UHFFFAOYSA-N 1 2 360.439 3.381 20 5 FGBDLO CCC[C@@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC ZINC000111247557 495055399 /nfs/dbraw/zinc/05/53/99/495055399.db2.gz CPFZJVGLFOLPLV-GOSISDBHSA-N 1 2 361.398 3.114 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000133924082 495081171 /nfs/dbraw/zinc/08/11/71/495081171.db2.gz BKOITBQQEOTLQB-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000133924082 495081175 /nfs/dbraw/zinc/08/11/75/495081175.db2.gz BKOITBQQEOTLQB-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000119590727 495197520 /nfs/dbraw/zinc/19/75/20/495197520.db2.gz QCADWHGDVXTBLE-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000103465742 495236794 /nfs/dbraw/zinc/23/67/94/495236794.db2.gz MBLMKOOIOSOCRH-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135228594 495265233 /nfs/dbraw/zinc/26/52/33/495265233.db2.gz YOJVDCFQOIMZTJ-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135228594 495265236 /nfs/dbraw/zinc/26/52/36/495265236.db2.gz YOJVDCFQOIMZTJ-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120118861 495310574 /nfs/dbraw/zinc/31/05/74/495310574.db2.gz NLLDBCWBJMCRME-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120212561 495328733 /nfs/dbraw/zinc/32/87/33/495328733.db2.gz YUUSQVPXDTYRGD-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120212561 495328734 /nfs/dbraw/zinc/32/87/34/495328734.db2.gz YUUSQVPXDTYRGD-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120307967 495348750 /nfs/dbraw/zinc/34/87/50/495348750.db2.gz QHIACOSIPFLYJK-UHFFFAOYSA-N 1 2 368.437 3.073 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120307967 495348753 /nfs/dbraw/zinc/34/87/53/495348753.db2.gz QHIACOSIPFLYJK-UHFFFAOYSA-N 1 2 368.437 3.073 20 5 FGBDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120313644 495350483 /nfs/dbraw/zinc/35/04/83/495350483.db2.gz DQIVLYGIZRBUTG-UHFFFAOYSA-N 1 2 371.224 3.311 20 5 FGBDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120313644 495350486 /nfs/dbraw/zinc/35/04/86/495350486.db2.gz DQIVLYGIZRBUTG-UHFFFAOYSA-N 1 2 371.224 3.311 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000140200369 495490553 /nfs/dbraw/zinc/49/05/53/495490553.db2.gz LNLAYYQAPGRKAO-GOSISDBHSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000140200369 495490556 /nfs/dbraw/zinc/49/05/56/495490556.db2.gz LNLAYYQAPGRKAO-GOSISDBHSA-N 1 2 354.410 3.382 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000170651296 495546806 /nfs/dbraw/zinc/54/68/06/495546806.db2.gz FZSVGPKTHNATHN-UHFFFAOYSA-N 1 2 372.400 3.249 20 5 FGBDLO C[C@H](c1nccs1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000185614857 495645460 /nfs/dbraw/zinc/64/54/60/495645460.db2.gz HUFAPYTUKBKMMJ-CSPWOOARSA-N 1 2 358.467 3.443 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000185614857 495645462 /nfs/dbraw/zinc/64/54/62/495645462.db2.gz HUFAPYTUKBKMMJ-CSPWOOARSA-N 1 2 358.467 3.443 20 5 FGBDLO Cc1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000176497123 495674317 /nfs/dbraw/zinc/67/43/17/495674317.db2.gz CJDUGBKSNVBLSW-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO Cc1noc(C)c1CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182861648 495732679 /nfs/dbraw/zinc/73/26/79/495732679.db2.gz YJPQVXGAICZSLL-HNNXBMFYSA-N 1 2 358.442 3.387 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182861648 495732686 /nfs/dbraw/zinc/73/26/86/495732686.db2.gz YJPQVXGAICZSLL-HNNXBMFYSA-N 1 2 358.442 3.387 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179821450 495749111 /nfs/dbraw/zinc/74/91/11/495749111.db2.gz AAPHYUWNLYQDCZ-MRXNPFEDSA-N 1 2 373.413 3.089 20 5 FGBDLO O=C(c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000154934787 495776415 /nfs/dbraw/zinc/77/64/15/495776415.db2.gz CWLSMQATZQQGSL-UXBLZVDNSA-N 1 2 351.406 3.066 20 5 FGBDLO Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000151511333 495862893 /nfs/dbraw/zinc/86/28/93/495862893.db2.gz JAFLDJUQWCVPLX-CQSZACIVSA-N 1 2 357.414 3.123 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1F ZINC000174246077 495880091 /nfs/dbraw/zinc/88/00/91/495880091.db2.gz UTENEVZCRCYCNB-UHFFFAOYSA-N 1 2 373.384 3.216 20 5 FGBDLO C[C@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177382227 496039711 /nfs/dbraw/zinc/03/97/11/496039711.db2.gz QIQBBYMIQUPPLT-MRXNPFEDSA-N 1 2 367.327 3.104 20 5 FGBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162333174 496338609 /nfs/dbraw/zinc/33/86/09/496338609.db2.gz JGYLZFJCARNPGC-UHFFFAOYSA-N 1 2 361.301 3.118 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000156843443 496346432 /nfs/dbraw/zinc/34/64/32/496346432.db2.gz AOSXRBIGHAHWGR-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO CC(C)n1ncc2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cnc21 ZINC000153177314 496375189 /nfs/dbraw/zinc/37/51/89/496375189.db2.gz VPZNZFDDBZUQGD-UHFFFAOYSA-N 1 2 351.410 3.479 20 5 FGBDLO CC(C)n1ncc2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cnc21 ZINC000153177314 496375193 /nfs/dbraw/zinc/37/51/93/496375193.db2.gz VPZNZFDDBZUQGD-UHFFFAOYSA-N 1 2 351.410 3.479 20 5 FGBDLO CC(C)c1csc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000178231355 496378003 /nfs/dbraw/zinc/37/80/03/496378003.db2.gz KNNYGKDWOPGIRJ-UHFFFAOYSA-N 1 2 371.422 3.290 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397122 496441581 /nfs/dbraw/zinc/44/15/81/496441581.db2.gz WCOJAHLTCFVKFJ-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397122 496441586 /nfs/dbraw/zinc/44/15/86/496441586.db2.gz WCOJAHLTCFVKFJ-ZDUSSCGKSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1csc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182061127 496654586 /nfs/dbraw/zinc/65/45/86/496654586.db2.gz IZUSSJATIWYGAP-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000154038846 496663887 /nfs/dbraw/zinc/66/38/87/496663887.db2.gz CPODSRGJBLBLLA-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c[nH+]1 ZINC000188060750 496667777 /nfs/dbraw/zinc/66/77/77/496667777.db2.gz QIKUBKCSTKHXFY-UHFFFAOYSA-N 1 2 374.466 3.488 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000158341035 496679580 /nfs/dbraw/zinc/67/95/80/496679580.db2.gz DEBFDXYZGLQVKN-ZIFCJYIRSA-N 1 2 364.442 3.150 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000158341035 496679585 /nfs/dbraw/zinc/67/95/85/496679585.db2.gz DEBFDXYZGLQVKN-ZIFCJYIRSA-N 1 2 364.442 3.150 20 5 FGBDLO C[C@@H](c1ccco1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182202555 496705211 /nfs/dbraw/zinc/70/52/11/496705211.db2.gz ZMRQZHIACCSIMQ-ZDUSSCGKSA-N 1 2 364.423 3.187 20 5 FGBDLO C[C@@H](c1ccco1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182202555 496705216 /nfs/dbraw/zinc/70/52/16/496705216.db2.gz ZMRQZHIACCSIMQ-ZDUSSCGKSA-N 1 2 364.423 3.187 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc(F)cc(F)c1 ZINC000179240805 496718938 /nfs/dbraw/zinc/71/89/38/496718938.db2.gz AHJLNUBKSSZOEN-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc(F)cc(F)c1 ZINC000179240805 496718942 /nfs/dbraw/zinc/71/89/42/496718942.db2.gz AHJLNUBKSSZOEN-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000273201181 496738955 /nfs/dbraw/zinc/73/89/55/496738955.db2.gz RHEMGAGFCSNGGC-SECBINFHSA-N 1 2 357.292 3.020 20 5 FGBDLO COc1ccc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000273493273 496821941 /nfs/dbraw/zinc/82/19/41/496821941.db2.gz NUBWTKDZXNXJOW-UHFFFAOYSA-N 1 2 373.413 3.051 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000191613154 496832514 /nfs/dbraw/zinc/83/25/14/496832514.db2.gz SAOPCSNMXXVNCQ-UHFFFAOYSA-N 1 2 353.338 3.251 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195177247 496842471 /nfs/dbraw/zinc/84/24/71/496842471.db2.gz XSZYCLDOUREBLI-UHFFFAOYSA-N 1 2 352.350 3.393 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000269637167 496981489 /nfs/dbraw/zinc/98/14/89/496981489.db2.gz NAJFHDDTLKWXJV-NSHDSACASA-N 1 2 364.352 3.105 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000192250144 497048894 /nfs/dbraw/zinc/04/88/94/497048894.db2.gz ICKVTHTWSMUZQR-UHFFFAOYSA-N 1 2 358.442 3.143 20 5 FGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192490979 497131460 /nfs/dbraw/zinc/13/14/60/497131460.db2.gz ZDSLABBVRFRTKM-CABCVRRESA-N 1 2 362.455 3.143 20 5 FGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192490979 497131468 /nfs/dbraw/zinc/13/14/68/497131468.db2.gz ZDSLABBVRFRTKM-CABCVRRESA-N 1 2 362.455 3.143 20 5 FGBDLO Cn1ncc(Br)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278577068 497157232 /nfs/dbraw/zinc/15/72/32/497157232.db2.gz YBAGLSUZQFGUOR-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1[nH+]ccn1CCc1ccccc1 ZINC000192672531 497180661 /nfs/dbraw/zinc/18/06/61/497180661.db2.gz ALTSTFREQOVVOK-UHFFFAOYSA-N 1 2 354.414 3.171 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714006 497192157 /nfs/dbraw/zinc/19/21/57/497192157.db2.gz XQADZJJVYBLQIR-INIZCTEOSA-N 1 2 355.438 3.464 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714006 497192161 /nfs/dbraw/zinc/19/21/61/497192161.db2.gz XQADZJJVYBLQIR-INIZCTEOSA-N 1 2 355.438 3.464 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000266071864 497247807 /nfs/dbraw/zinc/24/78/07/497247807.db2.gz LZCFEATYTOVVQT-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO COc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000271055969 497255874 /nfs/dbraw/zinc/25/58/74/497255874.db2.gz RAZIWEWCFBKSCQ-UHFFFAOYSA-N 1 2 358.398 3.219 20 5 FGBDLO CCc1cc(N)nc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000279062678 497320969 /nfs/dbraw/zinc/32/09/69/497320969.db2.gz IXASSZSDROPWGG-VIFPVBQESA-N 1 2 372.410 3.433 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000574996173 505900904 /nfs/dbraw/zinc/90/09/04/505900904.db2.gz XOIZXTLKYRWPLS-UHFFFAOYSA-N 1 2 365.349 3.282 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276826464 497664904 /nfs/dbraw/zinc/66/49/04/497664904.db2.gz AKLNCTAQVBDGPX-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO CCOc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276826464 497664909 /nfs/dbraw/zinc/66/49/09/497664909.db2.gz AKLNCTAQVBDGPX-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000268347012 497730721 /nfs/dbraw/zinc/73/07/21/497730721.db2.gz BZKOOTALBVCLAI-SWLSCSKDSA-N 1 2 354.366 3.261 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194700608 497743881 /nfs/dbraw/zinc/74/38/81/497743881.db2.gz VVONFSDHKCVMSH-CYBMUJFWSA-N 1 2 365.386 3.057 20 5 FGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194700608 497743886 /nfs/dbraw/zinc/74/38/86/497743886.db2.gz VVONFSDHKCVMSH-CYBMUJFWSA-N 1 2 365.386 3.057 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000280979647 497973794 /nfs/dbraw/zinc/97/37/94/497973794.db2.gz LCZBYIIXVPNXGM-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000280979647 497973800 /nfs/dbraw/zinc/97/38/00/497973800.db2.gz LCZBYIIXVPNXGM-ZBFHGGJFSA-N 1 2 369.421 3.083 20 5 FGBDLO CCc1cc(N[C@H]2CCc3n[nH]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301278119 498034112 /nfs/dbraw/zinc/03/41/12/498034112.db2.gz LLXVUKOJXTWIRT-HNNXBMFYSA-N 1 2 364.409 3.307 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nncn1C ZINC000285501610 498109044 /nfs/dbraw/zinc/10/90/44/498109044.db2.gz MUAGNIHQAXQDNB-KRWDZBQOSA-N 1 2 355.398 3.470 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301439207 498110443 /nfs/dbraw/zinc/11/04/43/498110443.db2.gz LUFJAPSKPBDHTQ-UHFFFAOYSA-N 1 2 364.833 3.484 20 5 FGBDLO C[C@H]1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCO1 ZINC000351092041 498177240 /nfs/dbraw/zinc/17/72/40/498177240.db2.gz DNGBBXRCTGLKMM-RYUDHWBXSA-N 1 2 355.354 3.113 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301622797 498192799 /nfs/dbraw/zinc/19/27/99/498192799.db2.gz FCAWPVHRNZJJHW-ZDUSSCGKSA-N 1 2 364.199 3.410 20 5 FGBDLO CCc1cc(N2CC[C@@](C)(C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301661531 498211826 /nfs/dbraw/zinc/21/18/26/498211826.db2.gz UQBNBICPXMUJAU-LJQANCHMSA-N 1 2 370.409 3.004 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc2)cn1 ZINC000359909120 498230146 /nfs/dbraw/zinc/23/01/46/498230146.db2.gz YIYHOSKSWDVGDS-IBGZPJMESA-N 1 2 363.377 3.349 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330991640 498232344 /nfs/dbraw/zinc/23/23/44/498232344.db2.gz KQASAUDTSQOMAV-JTQLQIEISA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000330991640 498232351 /nfs/dbraw/zinc/23/23/51/498232351.db2.gz KQASAUDTSQOMAV-JTQLQIEISA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)c[nH+]1 ZINC000578727777 506006746 /nfs/dbraw/zinc/00/67/46/506006746.db2.gz ZFHLYDQCGJWTEA-MRXNPFEDSA-N 1 2 354.410 3.440 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361464516 498396248 /nfs/dbraw/zinc/39/62/48/498396248.db2.gz RGRJFLMFFKWMHK-KRWDZBQOSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361464516 498396253 /nfs/dbraw/zinc/39/62/53/498396253.db2.gz RGRJFLMFFKWMHK-KRWDZBQOSA-N 1 2 359.430 3.058 20 5 FGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)[S@@]1=O ZINC000286503164 498419421 /nfs/dbraw/zinc/41/94/21/498419421.db2.gz YKTQMPQETDBPAZ-JDOLQQSESA-N 1 2 374.466 3.096 20 5 FGBDLO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000365404809 498448891 /nfs/dbraw/zinc/44/88/91/498448891.db2.gz UROXQJISNHYLIF-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000365402131 498449892 /nfs/dbraw/zinc/44/98/92/498449892.db2.gz IHBMSVAXDZVGKM-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000365402131 498449900 /nfs/dbraw/zinc/44/99/00/498449900.db2.gz IHBMSVAXDZVGKM-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1ccc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290206559 498464854 /nfs/dbraw/zinc/46/48/54/498464854.db2.gz VHTFARBZADYQQX-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1ccc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290206559 498464858 /nfs/dbraw/zinc/46/48/58/498464858.db2.gz VHTFARBZADYQQX-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303564380 498692050 /nfs/dbraw/zinc/69/20/50/498692050.db2.gz APXYUTQOFDSPEK-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303564380 498692054 /nfs/dbraw/zinc/69/20/54/498692054.db2.gz APXYUTQOFDSPEK-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2c1 ZINC000581856695 506074993 /nfs/dbraw/zinc/07/49/93/506074993.db2.gz JPKGNQZPBUTGLG-AWEZNQCLSA-N 1 2 367.409 3.420 20 5 FGBDLO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000327380117 498856505 /nfs/dbraw/zinc/85/65/05/498856505.db2.gz OFOFZYZAHMXINQ-BDJLRTHQSA-N 1 2 364.398 3.303 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000291409730 498929730 /nfs/dbraw/zinc/92/97/30/498929730.db2.gz FFNZQIWGWMWLBZ-OAHLLOKOSA-N 1 2 372.425 3.200 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3nc(Cl)ccc3Cl)C2)c1 ZINC000369974055 499159877 /nfs/dbraw/zinc/15/98/77/499159877.db2.gz NLHFOTXJCUZZMH-SNVBAGLBSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)c1 ZINC000369974055 499159878 /nfs/dbraw/zinc/15/98/78/499159878.db2.gz NLHFOTXJCUZZMH-SNVBAGLBSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3nc(Cl)ccc3Cl)C2)c1 ZINC000369974051 499159936 /nfs/dbraw/zinc/15/99/36/499159936.db2.gz NLHFOTXJCUZZMH-JTQLQIEISA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)c1 ZINC000369974051 499159941 /nfs/dbraw/zinc/15/99/41/499159941.db2.gz NLHFOTXJCUZZMH-JTQLQIEISA-N 1 2 356.213 3.330 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000367373243 499190616 /nfs/dbraw/zinc/19/06/16/499190616.db2.gz AYHDKYGRXZZRCT-SFHVURJKSA-N 1 2 367.365 3.116 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370591909 499234059 /nfs/dbraw/zinc/23/40/59/499234059.db2.gz BYWJTCBUGCXFPE-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370591909 499234061 /nfs/dbraw/zinc/23/40/61/499234061.db2.gz BYWJTCBUGCXFPE-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372334150 499421978 /nfs/dbraw/zinc/42/19/78/499421978.db2.gz ZFIVAIKLUWZOLJ-AWEZNQCLSA-N 1 2 358.398 3.098 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375726147 499548918 /nfs/dbraw/zinc/54/89/18/499548918.db2.gz HAIBAOOFWBMPFE-INIZCTEOSA-N 1 2 353.382 3.283 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)c1 ZINC000375726147 499548919 /nfs/dbraw/zinc/54/89/19/499548919.db2.gz HAIBAOOFWBMPFE-INIZCTEOSA-N 1 2 353.382 3.283 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2cccnc2)CC1 ZINC000375903871 499566903 /nfs/dbraw/zinc/56/69/03/499566903.db2.gz QBAJIXOUBXTUSZ-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000375903871 499566905 /nfs/dbraw/zinc/56/69/05/499566905.db2.gz QBAJIXOUBXTUSZ-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO CC1CC[NH+](C2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000376060360 499579736 /nfs/dbraw/zinc/57/97/36/499579736.db2.gz WHRHPHLWWDXUGC-UHFFFAOYSA-N 1 2 361.442 3.073 20 5 FGBDLO Cn1c(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000410079032 499640153 /nfs/dbraw/zinc/64/01/53/499640153.db2.gz VTXNEJUUWDOJJH-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000411358266 499729175 /nfs/dbraw/zinc/72/91/75/499729175.db2.gz WENUESPAWJSZKA-UHFFFAOYSA-N 1 2 373.413 3.064 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)cn2c1 ZINC000411545106 499753056 /nfs/dbraw/zinc/75/30/56/499753056.db2.gz PNEUESMOIRCAMD-UHFFFAOYSA-N 1 2 368.393 3.268 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411877812 499799090 /nfs/dbraw/zinc/79/90/90/499799090.db2.gz RVMSFCDKGQFCGK-INIZCTEOSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411877812 499799091 /nfs/dbraw/zinc/79/90/91/499799091.db2.gz RVMSFCDKGQFCGK-INIZCTEOSA-N 1 2 372.368 3.206 20 5 FGBDLO CCCCNC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413103633 499914365 /nfs/dbraw/zinc/91/43/65/499914365.db2.gz WXMALKKQBOJXKF-UHFFFAOYSA-N 1 2 356.426 3.276 20 5 FGBDLO Cc1nsc(N2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413175656 499922779 /nfs/dbraw/zinc/92/27/79/499922779.db2.gz VBOTXYPVHSGEOD-UHFFFAOYSA-N 1 2 370.438 3.020 20 5 FGBDLO O=C1CC[C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2N1C1CC1 ZINC000413200634 499926023 /nfs/dbraw/zinc/92/60/23/499926023.db2.gz JEGWEITYHSGAOE-KDOFPFPSSA-N 1 2 366.421 3.123 20 5 FGBDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413283276 499936700 /nfs/dbraw/zinc/93/67/00/499936700.db2.gz NPRILZVOOHYKCH-AWEZNQCLSA-N 1 2 374.416 3.238 20 5 FGBDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413283276 499936701 /nfs/dbraw/zinc/93/67/01/499936701.db2.gz NPRILZVOOHYKCH-AWEZNQCLSA-N 1 2 374.416 3.238 20 5 FGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421210743 499992907 /nfs/dbraw/zinc/99/29/07/499992907.db2.gz HJEFHYKEDQBQAF-UHFFFAOYSA-N 1 2 370.405 3.209 20 5 FGBDLO Cc1cc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421574596 500085788 /nfs/dbraw/zinc/08/57/88/500085788.db2.gz GYANDYZGDLYVOV-UHFFFAOYSA-N 1 2 351.309 3.138 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421740549 500135985 /nfs/dbraw/zinc/13/59/85/500135985.db2.gz KBFRHACALAMESX-UHFFFAOYSA-N 1 2 352.394 3.300 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430250602 500215123 /nfs/dbraw/zinc/21/51/23/500215123.db2.gz AUPLKMAMRQTCQF-VCBZYWHSSA-N 1 2 364.442 3.152 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430250602 500215124 /nfs/dbraw/zinc/21/51/24/500215124.db2.gz AUPLKMAMRQTCQF-VCBZYWHSSA-N 1 2 364.442 3.152 20 5 FGBDLO Cc1cc(NCc2ccc3c(c2)COC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432043965 500459591 /nfs/dbraw/zinc/45/95/91/500459591.db2.gz YBOMAKJAPGKJSU-UHFFFAOYSA-N 1 2 362.389 3.424 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@H]3CCCO[C@H]3c3ccccc3)[nH]c2c1 ZINC000447675485 500643486 /nfs/dbraw/zinc/64/34/86/500643486.db2.gz BBWNZFIXDPGPJP-KDOFPFPSSA-N 1 2 352.394 3.473 20 5 FGBDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000433283458 500660877 /nfs/dbraw/zinc/66/08/77/500660877.db2.gz OQXXXBLBJLKKDS-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cn2ccccc2[nH+]1 ZINC000447805232 500666303 /nfs/dbraw/zinc/66/63/03/500666303.db2.gz HVDRRANOXMITAG-UHFFFAOYSA-N 1 2 360.757 3.295 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443122280 500683369 /nfs/dbraw/zinc/68/33/69/500683369.db2.gz YPXYBLASKQWRHN-OAHLLOKOSA-N 1 2 371.441 3.435 20 5 FGBDLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000444712851 500885214 /nfs/dbraw/zinc/88/52/14/500885214.db2.gz ZLQAHMUXXMSPEO-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO Cc1cc(Br)ccc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000444712851 500885216 /nfs/dbraw/zinc/88/52/16/500885216.db2.gz ZLQAHMUXXMSPEO-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444732662 500890222 /nfs/dbraw/zinc/89/02/22/500890222.db2.gz LUAUSARLTAZQAR-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444732662 500890224 /nfs/dbraw/zinc/89/02/24/500890224.db2.gz LUAUSARLTAZQAR-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1Br ZINC000449486360 501014765 /nfs/dbraw/zinc/01/47/65/501014765.db2.gz UGEPWVXKPYUROE-IZZDOVSWSA-N 1 2 365.231 3.284 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)s1 ZINC000446163145 501084160 /nfs/dbraw/zinc/08/41/60/501084160.db2.gz QUBWMWGLXZCYFT-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000611623488 506233458 /nfs/dbraw/zinc/23/34/58/506233458.db2.gz WCSYPKNRODSLLE-LIRRHRJNSA-N 1 2 354.410 3.433 20 5 FGBDLO Cc1nc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000450335980 501093832 /nfs/dbraw/zinc/09/38/32/501093832.db2.gz NMVOUGNQWPHRGY-GFCCVEGCSA-N 1 2 363.368 3.048 20 5 FGBDLO Cc1nc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000450335980 501093837 /nfs/dbraw/zinc/09/38/37/501093837.db2.gz NMVOUGNQWPHRGY-GFCCVEGCSA-N 1 2 363.368 3.048 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446439844 501121145 /nfs/dbraw/zinc/12/11/45/501121145.db2.gz WMSMGZCIQYVOQB-UHFFFAOYSA-N 1 2 367.308 3.469 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449934443 501130017 /nfs/dbraw/zinc/13/00/17/501130017.db2.gz JWLOHGZSUUZGIL-UHFFFAOYSA-N 1 2 370.331 3.396 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000441435237 501138117 /nfs/dbraw/zinc/13/81/17/501138117.db2.gz MIXUVDCOFKSMDV-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Br)o3)nc2c1 ZINC000446844587 501172647 /nfs/dbraw/zinc/17/26/47/501172647.db2.gz HUIBINCOHYGCSJ-UHFFFAOYSA-N 1 2 351.160 3.116 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000450074769 501173148 /nfs/dbraw/zinc/17/31/48/501173148.db2.gz GLNSMZPXEYJMFP-DOTOQJQBSA-N 1 2 372.450 3.281 20 5 FGBDLO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436751525 501204475 /nfs/dbraw/zinc/20/44/75/501204475.db2.gz LYLDFNLEIAXIOX-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO Cc1c(Br)c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450830494 501214846 /nfs/dbraw/zinc/21/48/46/501214846.db2.gz OBUYIEWXGYQJPH-APPZFPTMSA-N 1 2 352.192 3.375 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000451019202 501239547 /nfs/dbraw/zinc/23/95/47/501239547.db2.gz RARZVCZDDLONOD-OAHLLOKOSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000451019202 501239548 /nfs/dbraw/zinc/23/95/48/501239548.db2.gz RARZVCZDDLONOD-OAHLLOKOSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451019202 501239549 /nfs/dbraw/zinc/23/95/49/501239549.db2.gz RARZVCZDDLONOD-OAHLLOKOSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000451019202 501239550 /nfs/dbraw/zinc/23/95/50/501239550.db2.gz RARZVCZDDLONOD-OAHLLOKOSA-N 1 2 360.805 3.158 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1C ZINC000451365899 501276102 /nfs/dbraw/zinc/27/61/02/501276102.db2.gz HOCGNMNKZBIKKM-GDBMZVCRSA-N 1 2 372.425 3.058 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000453582552 501353408 /nfs/dbraw/zinc/35/34/08/501353408.db2.gz WNDQNYCZUOAQHP-UHFFFAOYSA-N 1 2 368.437 3.101 20 5 FGBDLO CC1(C2CC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451830898 501381116 /nfs/dbraw/zinc/38/11/16/501381116.db2.gz DKSUXCRUMPFAMW-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@]2(CCSC2)C1 ZINC000456819745 501604994 /nfs/dbraw/zinc/60/49/94/501604994.db2.gz GFIKZHDMHQNSFA-SFHVURJKSA-N 1 2 372.450 3.140 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000454811180 501635138 /nfs/dbraw/zinc/63/51/38/501635138.db2.gz ZLSGDIKMORZOEL-SNVBAGLBSA-N 1 2 351.794 3.025 20 5 FGBDLO CCOC1C[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000459607717 501686046 /nfs/dbraw/zinc/68/60/46/501686046.db2.gz NWEMBSPUDJFZGO-UHFFFAOYSA-N 1 2 372.421 3.403 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485148308 501739913 /nfs/dbraw/zinc/73/99/13/501739913.db2.gz VMTWLHCMWBLLAF-UHFFFAOYSA-N 1 2 368.418 3.410 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000481619545 501834537 /nfs/dbraw/zinc/83/45/37/501834537.db2.gz AUBIMUAEFKRHJS-UHFFFAOYSA-N 1 2 360.439 3.098 20 5 FGBDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000481859846 501900935 /nfs/dbraw/zinc/90/09/35/501900935.db2.gz AKVQJDPGPJDTRT-UHFFFAOYSA-N 1 2 369.830 3.111 20 5 FGBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000460740435 501909537 /nfs/dbraw/zinc/90/95/37/501909537.db2.gz JDAWVIYVSWTUAI-UHFFFAOYSA-N 1 2 364.365 3.309 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000467970248 501917365 /nfs/dbraw/zinc/91/73/65/501917365.db2.gz PAXWRXJWPPYJQV-UHFFFAOYSA-N 1 2 365.393 3.360 20 5 FGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000485775751 501931548 /nfs/dbraw/zinc/93/15/48/501931548.db2.gz VZSNOUMBFMMNKM-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000485775751 501931554 /nfs/dbraw/zinc/93/15/54/501931554.db2.gz VZSNOUMBFMMNKM-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000468786868 502183190 /nfs/dbraw/zinc/18/31/90/502183190.db2.gz BKWWZWQFDLRMAW-UHFFFAOYSA-N 1 2 372.400 3.287 20 5 FGBDLO O=C(C1CCCC1)N1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059081 506300891 /nfs/dbraw/zinc/30/08/91/506300891.db2.gz XHCNUSYRUJHPKX-OAHLLOKOSA-N 1 2 354.410 3.346 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000465400888 502251255 /nfs/dbraw/zinc/25/12/55/502251255.db2.gz GBGKOCHQRFLGSE-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000465400888 502251258 /nfs/dbraw/zinc/25/12/58/502251258.db2.gz GBGKOCHQRFLGSE-GFCCVEGCSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000472347284 502323874 /nfs/dbraw/zinc/32/38/74/502323874.db2.gz FVYWGXBDZJJQQD-MRXNPFEDSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472347284 502323880 /nfs/dbraw/zinc/32/38/80/502323880.db2.gz FVYWGXBDZJJQQD-MRXNPFEDSA-N 1 2 356.426 3.407 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000483353040 502359235 /nfs/dbraw/zinc/35/92/35/502359235.db2.gz KJCMQUMGIHWDJT-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000483353040 502359240 /nfs/dbraw/zinc/35/92/40/502359240.db2.gz KJCMQUMGIHWDJT-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483399088 502375222 /nfs/dbraw/zinc/37/52/22/502375222.db2.gz AYTQQEAYYQKFQP-IBGZPJMESA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483399088 502375230 /nfs/dbraw/zinc/37/52/30/502375230.db2.gz AYTQQEAYYQKFQP-IBGZPJMESA-N 1 2 357.385 3.336 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000599085251 506316363 /nfs/dbraw/zinc/31/63/63/506316363.db2.gz NNMDOQZTJHDIMK-USXIJHARSA-N 1 2 354.410 3.202 20 5 FGBDLO CC(C)(NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000487824787 502539453 /nfs/dbraw/zinc/53/94/53/502539453.db2.gz RPXIJTMYAGNMCC-UHFFFAOYSA-N 1 2 357.414 3.026 20 5 FGBDLO Cc1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000466635549 502628861 /nfs/dbraw/zinc/62/88/61/502628861.db2.gz ORFZDQPWMOFFSG-QUCCMNQESA-N 1 2 368.437 3.399 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c(Cl)c1 ZINC000477108281 502679867 /nfs/dbraw/zinc/67/98/67/502679867.db2.gz MUJWXBFZXRZIFQ-UHFFFAOYSA-N 1 2 355.785 3.392 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463419776 502794031 /nfs/dbraw/zinc/79/40/31/502794031.db2.gz YYQHCWFDFJLYEM-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463419776 502794033 /nfs/dbraw/zinc/79/40/33/502794033.db2.gz YYQHCWFDFJLYEM-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCC(F)(F)CC1 ZINC000599133930 506336156 /nfs/dbraw/zinc/33/61/56/506336156.db2.gz NMOSUESPXFNHRZ-UHFFFAOYSA-N 1 2 355.385 3.053 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000513162259 502867216 /nfs/dbraw/zinc/86/72/16/502867216.db2.gz XCKHVCDLEAIMBL-GOSISDBHSA-N 1 2 364.348 3.441 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000513252602 502889903 /nfs/dbraw/zinc/88/99/03/502889903.db2.gz MFOVAOVZCDMEIX-MRVPVSSYSA-N 1 2 370.743 3.211 20 5 FGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505512546 502922992 /nfs/dbraw/zinc/92/29/92/502922992.db2.gz CZMQBMHOMBFXPR-INIZCTEOSA-N 1 2 368.368 3.002 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000593021434 506342852 /nfs/dbraw/zinc/34/28/52/506342852.db2.gz NNCUKVRFUNUYIY-UHFFFAOYSA-N 1 2 353.300 3.447 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000593021434 506342859 /nfs/dbraw/zinc/34/28/59/506342859.db2.gz NNCUKVRFUNUYIY-UHFFFAOYSA-N 1 2 353.300 3.447 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000506772937 503169553 /nfs/dbraw/zinc/16/95/53/503169553.db2.gz BXDTWEIYCPRULH-MRXNPFEDSA-N 1 2 358.394 3.265 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000506772937 503169557 /nfs/dbraw/zinc/16/95/57/503169557.db2.gz BXDTWEIYCPRULH-MRXNPFEDSA-N 1 2 358.394 3.265 20 5 FGBDLO Cn1cccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000506807391 503176600 /nfs/dbraw/zinc/17/66/00/503176600.db2.gz ULFAQSUXHMGYJV-UHFFFAOYSA-N 1 2 368.359 3.274 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000498426017 503184338 /nfs/dbraw/zinc/18/43/38/503184338.db2.gz OHNGZFZPBHPBAG-UHFFFAOYSA-N 1 2 359.385 3.197 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491040403 503265159 /nfs/dbraw/zinc/26/51/59/503265159.db2.gz VRPYRIGZTIFUHQ-OAHLLOKOSA-N 1 2 357.414 3.014 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c(F)c1 ZINC000491132597 503276740 /nfs/dbraw/zinc/27/67/40/503276740.db2.gz CPBZLFOFUUTMRV-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000515226071 503297229 /nfs/dbraw/zinc/29/72/29/503297229.db2.gz CLPNZUBYKRMHGW-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO CCc1cc(NCCC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000511705007 503373073 /nfs/dbraw/zinc/37/30/73/503373073.db2.gz CWBPHQNXOSAZQU-UHFFFAOYSA-N 1 2 356.426 3.265 20 5 FGBDLO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503678101 503456693 /nfs/dbraw/zinc/45/66/93/503456693.db2.gz CVJMNQSUFWGNHM-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCO2 ZINC000512163577 503473881 /nfs/dbraw/zinc/47/38/81/503473881.db2.gz MFVZMDSHWFTWSS-UHFFFAOYSA-N 1 2 356.378 3.164 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCO2 ZINC000512163577 503473882 /nfs/dbraw/zinc/47/38/82/503473882.db2.gz MFVZMDSHWFTWSS-UHFFFAOYSA-N 1 2 356.378 3.164 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000508964088 503608689 /nfs/dbraw/zinc/60/86/89/503608689.db2.gz OZCSDEVZABWUQG-UHFFFAOYSA-N 1 2 365.355 3.330 20 5 FGBDLO CC(C)OCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000536659756 503665378 /nfs/dbraw/zinc/66/53/78/503665378.db2.gz VTZQRGMBAQOHHJ-UHFFFAOYSA-N 1 2 373.453 3.397 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)c1)O[C@@H](C)C2 ZINC000536669380 503670388 /nfs/dbraw/zinc/67/03/88/503670388.db2.gz ACYXZDJBVOPFML-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)c1)O[C@@H](C)C2 ZINC000536669380 503670395 /nfs/dbraw/zinc/67/03/95/503670395.db2.gz ACYXZDJBVOPFML-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000517475877 503752612 /nfs/dbraw/zinc/75/26/12/503752612.db2.gz ILRJLODQTHUZNN-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2 ZINC000527298064 503756828 /nfs/dbraw/zinc/75/68/28/503756828.db2.gz TWDSHNCIOYMIBD-UHFFFAOYSA-N 1 2 354.275 3.167 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C2 ZINC000527298064 503756833 /nfs/dbraw/zinc/75/68/33/503756833.db2.gz TWDSHNCIOYMIBD-UHFFFAOYSA-N 1 2 354.275 3.167 20 5 FGBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000543411479 503760050 /nfs/dbraw/zinc/76/00/50/503760050.db2.gz JGSDCTUVIKPISN-UHFFFAOYSA-N 1 2 365.393 3.044 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000517660667 503799646 /nfs/dbraw/zinc/79/96/46/503799646.db2.gz FAGKCBBPADFSTJ-AWEZNQCLSA-N 1 2 354.410 3.010 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533426009 503839057 /nfs/dbraw/zinc/83/90/57/503839057.db2.gz CBSRXPUCNWAOPZ-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2c(Cl)cccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533426009 503839059 /nfs/dbraw/zinc/83/90/59/503839059.db2.gz CBSRXPUCNWAOPZ-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000543644484 503840151 /nfs/dbraw/zinc/84/01/51/503840151.db2.gz KHRRRTQZDIFERL-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 ZINC000546744097 503861305 /nfs/dbraw/zinc/86/13/05/503861305.db2.gz WOMMMOYQHTVMBQ-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000533500942 503866900 /nfs/dbraw/zinc/86/69/00/503866900.db2.gz MXOSECYKZLMUHF-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000533515985 503872841 /nfs/dbraw/zinc/87/28/41/503872841.db2.gz ZCBLCYKODQZXFH-UHFFFAOYSA-N 1 2 350.415 3.218 20 5 FGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000543836180 503909687 /nfs/dbraw/zinc/90/96/87/503909687.db2.gz JRKQSVFYEOEILI-KRWDZBQOSA-N 1 2 360.410 3.214 20 5 FGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000543836181 503909703 /nfs/dbraw/zinc/90/97/03/503909703.db2.gz JRKQSVFYEOEILI-QGZVFWFLSA-N 1 2 360.410 3.214 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)cn1 ZINC000530625816 504031238 /nfs/dbraw/zinc/03/12/38/504031238.db2.gz DXWMPIUPGLTBPJ-UHFFFAOYSA-N 1 2 364.808 3.147 20 5 FGBDLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000541194275 504038449 /nfs/dbraw/zinc/03/84/49/504038449.db2.gz ZVRRFDNAQFBSCQ-LBPRGKRZSA-N 1 2 353.382 3.453 20 5 FGBDLO Cn1c[nH+]cc1Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000547262389 504039648 /nfs/dbraw/zinc/03/96/48/504039648.db2.gz VLOBHPYTBSELBE-UHFFFAOYSA-N 1 2 368.378 3.093 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](OCC(F)(F)F)C3)nc2c1 ZINC000530725090 504066086 /nfs/dbraw/zinc/06/60/86/504066086.db2.gz QCCUYJWZUHTXKP-NSHDSACASA-N 1 2 359.304 3.279 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](OCC(F)(F)F)C3)nc2c1 ZINC000530725090 504066092 /nfs/dbraw/zinc/06/60/92/504066092.db2.gz QCCUYJWZUHTXKP-NSHDSACASA-N 1 2 359.304 3.279 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282331 504073505 /nfs/dbraw/zinc/07/35/05/504073505.db2.gz MAWHNAZLINMMJN-CHWSQXEVSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282331 504073510 /nfs/dbraw/zinc/07/35/10/504073510.db2.gz MAWHNAZLINMMJN-CHWSQXEVSA-N 1 2 366.364 3.306 20 5 FGBDLO CCc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000530830538 504099689 /nfs/dbraw/zinc/09/96/89/504099689.db2.gz JGYGWJBGITUAHC-GOSISDBHSA-N 1 2 364.405 3.410 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000541578588 504184723 /nfs/dbraw/zinc/18/47/23/504184723.db2.gz REQZBOJBABZYEO-UHFFFAOYSA-N 1 2 374.404 3.419 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538574194 504289260 /nfs/dbraw/zinc/28/92/60/504289260.db2.gz FDDHJPNYNTVVAI-UHFFFAOYSA-N 1 2 360.439 3.381 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000535244166 504380791 /nfs/dbraw/zinc/38/07/91/504380791.db2.gz UFLFOLOEDPVKDF-CRAIPNDOSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000535244166 504380796 /nfs/dbraw/zinc/38/07/96/504380796.db2.gz UFLFOLOEDPVKDF-CRAIPNDOSA-N 1 2 357.454 3.134 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000548586024 504485969 /nfs/dbraw/zinc/48/59/69/504485969.db2.gz GDGHCODRRGYEMS-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](c3cccnc3)C3CC3)o2)cc1 ZINC000542521609 504523811 /nfs/dbraw/zinc/52/38/11/504523811.db2.gz WAUCOYPRPMSZBE-KRWDZBQOSA-N 1 2 351.366 3.281 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccccc1C(F)(F)F)CC2 ZINC000542548621 504536011 /nfs/dbraw/zinc/53/60/11/504536011.db2.gz QAVFWJGJNUBFPE-UHFFFAOYSA-N 1 2 367.327 3.446 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccccc1C(F)(F)F)CC2 ZINC000542548621 504536017 /nfs/dbraw/zinc/53/60/17/504536017.db2.gz QAVFWJGJNUBFPE-UHFFFAOYSA-N 1 2 367.327 3.446 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000539360714 504540952 /nfs/dbraw/zinc/54/09/52/504540952.db2.gz QBIIVHHSQLWPRX-GOSISDBHSA-N 1 2 366.421 3.376 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000539360715 504541151 /nfs/dbraw/zinc/54/11/51/504541151.db2.gz QBIIVHHSQLWPRX-SFHVURJKSA-N 1 2 366.421 3.376 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000542611992 504552120 /nfs/dbraw/zinc/55/21/20/504552120.db2.gz HZXCJOAOJDMJEF-ZDUSSCGKSA-N 1 2 368.393 3.428 20 5 FGBDLO CCOc1ccccc1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000520784758 504581492 /nfs/dbraw/zinc/58/14/92/504581492.db2.gz TWLVHCPWPWFBHF-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO CCOc1ccccc1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000520784758 504581499 /nfs/dbraw/zinc/58/14/99/504581499.db2.gz TWLVHCPWPWFBHF-UHFFFAOYSA-N 1 2 358.394 3.267 20 5 FGBDLO CC(C)c1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000532328487 504612124 /nfs/dbraw/zinc/61/21/24/504612124.db2.gz XILDCWXKDJFTLO-UHFFFAOYSA-N 1 2 358.370 3.461 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1[nH+]ccn1Cc1ccccc1)CCO2 ZINC000521120658 504655314 /nfs/dbraw/zinc/65/53/14/504655314.db2.gz DWYBSAWLYVZBLS-UHFFFAOYSA-N 1 2 364.405 3.234 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532585383 504702004 /nfs/dbraw/zinc/70/20/04/504702004.db2.gz VVNWQFIOQUMRBG-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532585383 504702008 /nfs/dbraw/zinc/70/20/08/504702008.db2.gz VVNWQFIOQUMRBG-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000549612833 504859501 /nfs/dbraw/zinc/85/95/01/504859501.db2.gz CZZWXLOTJLGXFO-MRXNPFEDSA-N 1 2 374.441 3.426 20 5 FGBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000549612833 504859503 /nfs/dbraw/zinc/85/95/03/504859503.db2.gz CZZWXLOTJLGXFO-MRXNPFEDSA-N 1 2 374.441 3.426 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000556388251 504861443 /nfs/dbraw/zinc/86/14/43/504861443.db2.gz SSDDTEORDBMPRZ-UHFFFAOYSA-N 1 2 374.416 3.238 20 5 FGBDLO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000549717648 504879817 /nfs/dbraw/zinc/87/98/17/504879817.db2.gz INAWINAAYWRTHS-AEFFLSMTSA-N 1 2 361.829 3.489 20 5 FGBDLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000559593551 504893732 /nfs/dbraw/zinc/89/37/32/504893732.db2.gz NVMCHNGUSWREOQ-UHFFFAOYSA-N 1 2 356.426 3.276 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1 ZINC000549773475 504894492 /nfs/dbraw/zinc/89/44/92/504894492.db2.gz IDOBZNJBBSUFJQ-UHFFFAOYSA-N 1 2 369.381 3.188 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000562849064 504964513 /nfs/dbraw/zinc/96/45/13/504964513.db2.gz KHWUTXZFFZMRGN-YOEHRIQHSA-N 1 2 356.426 3.179 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000562886613 504976024 /nfs/dbraw/zinc/97/60/24/504976024.db2.gz MVEHMHAEAJQZCM-GJZGRUSLSA-N 1 2 354.410 3.431 20 5 FGBDLO CCc1noc(CC)c1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556881237 505004305 /nfs/dbraw/zinc/00/43/05/505004305.db2.gz JJORSYLMAHBCJP-GOSISDBHSA-N 1 2 369.425 3.320 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000560528172 505115760 /nfs/dbraw/zinc/11/57/60/505115760.db2.gz LCYOEAUANMLOEO-KRWDZBQOSA-N 1 2 358.348 3.486 20 5 FGBDLO CC(C)CCn1ccc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000560549649 505122712 /nfs/dbraw/zinc/12/27/12/505122712.db2.gz GKORSZYZDYYOGF-SFHVURJKSA-N 1 2 368.441 3.194 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000564043695 505309350 /nfs/dbraw/zinc/30/93/50/505309350.db2.gz FVNHPHZTYYZKJP-UHFFFAOYSA-N 1 2 358.446 3.363 20 5 FGBDLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000555074706 505342908 /nfs/dbraw/zinc/34/29/08/505342908.db2.gz ZWZPMWLIZPIVHJ-HNNXBMFYSA-N 1 2 364.405 3.260 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000555527713 505447708 /nfs/dbraw/zinc/44/77/08/505447708.db2.gz NATSZTJTHXWHCX-SNVBAGLBSA-N 1 2 354.275 3.063 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000555527713 505447713 /nfs/dbraw/zinc/44/77/13/505447713.db2.gz NATSZTJTHXWHCX-SNVBAGLBSA-N 1 2 354.275 3.063 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 ZINC000567395273 505450199 /nfs/dbraw/zinc/45/01/99/505450199.db2.gz DZCDIKUAYDUDMW-UHFFFAOYSA-N 1 2 362.349 3.388 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555887245 505533592 /nfs/dbraw/zinc/53/35/92/505533592.db2.gz IREBWKXDMOMREA-UHFFFAOYSA-N 1 2 364.199 3.297 20 5 FGBDLO Cc1ccc2sc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2c1 ZINC000599260230 506388933 /nfs/dbraw/zinc/38/89/33/506388933.db2.gz XNLSYKNAAIWRNO-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)c1 ZINC000589509499 506574430 /nfs/dbraw/zinc/57/44/30/506574430.db2.gz SRWJUKUDRUDMGL-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(OC)c(F)cc3C2)c1 ZINC000589509499 506574438 /nfs/dbraw/zinc/57/44/38/506574438.db2.gz SRWJUKUDRUDMGL-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000612610710 506650387 /nfs/dbraw/zinc/65/03/87/506650387.db2.gz GXZYXKOFZUIXOU-MRXNPFEDSA-N 1 2 369.356 3.379 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593677896 506725795 /nfs/dbraw/zinc/72/57/95/506725795.db2.gz HFQKJIKGIAEMTR-HNNXBMFYSA-N 1 2 360.389 3.247 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1[N+](=O)[O-] ZINC000593688833 506732315 /nfs/dbraw/zinc/73/23/15/506732315.db2.gz QEUWWSGCEBMQKP-PVRZRQTBSA-N 1 2 371.462 3.068 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1[N+](=O)[O-] ZINC000593688833 506732321 /nfs/dbraw/zinc/73/23/21/506732321.db2.gz QEUWWSGCEBMQKP-PVRZRQTBSA-N 1 2 371.462 3.068 20 5 FGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604470387 506840469 /nfs/dbraw/zinc/84/04/69/506840469.db2.gz NNHMDBFZXTUVNJ-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO COc1ccc(C[NH2+]Cc2cocn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000609354219 506863595 /nfs/dbraw/zinc/86/35/95/506863595.db2.gz WNZSFQIWAOLRBR-UHFFFAOYSA-N 1 2 369.377 3.460 20 5 FGBDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000590759769 506940601 /nfs/dbraw/zinc/94/06/01/506940601.db2.gz LTRLPSIJUUDSKK-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000590759769 506940604 /nfs/dbraw/zinc/94/06/04/506940604.db2.gz LTRLPSIJUUDSKK-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000609890951 507040158 /nfs/dbraw/zinc/04/01/58/507040158.db2.gz KVIJPLOCYDZLCE-HNNXBMFYSA-N 1 2 356.854 3.192 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000597921108 507174344 /nfs/dbraw/zinc/17/43/44/507174344.db2.gz GBPMYQSPWPKDQJ-UHFFFAOYSA-N 1 2 366.377 3.393 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597940248 507188414 /nfs/dbraw/zinc/18/84/14/507188414.db2.gz GHMQYKWHVXLHSG-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)CSc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000610434733 507238178 /nfs/dbraw/zinc/23/81/78/507238178.db2.gz JKVRJKSVKRGYJK-UHFFFAOYSA-N 1 2 370.434 3.002 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000610458849 507249065 /nfs/dbraw/zinc/24/90/65/507249065.db2.gz WPKALLFYXACLPR-AWEZNQCLSA-N 1 2 367.409 3.154 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)c2c(c1)COCO2 ZINC000601166609 507284560 /nfs/dbraw/zinc/28/45/60/507284560.db2.gz PSEVUQADTINGCB-MRXNPFEDSA-N 1 2 350.321 3.401 20 5 FGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094175 507388015 /nfs/dbraw/zinc/38/80/15/507388015.db2.gz HSQRPZKNBUZOTD-ZWKOTPCHSA-N 1 2 358.442 3.213 20 5 FGBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000610786754 507389503 /nfs/dbraw/zinc/38/95/03/507389503.db2.gz FNIHVBXMBRSWCZ-JTQLQIEISA-N 1 2 350.346 3.308 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598679113 507549465 /nfs/dbraw/zinc/54/94/65/507549465.db2.gz XNBPLYYQGWHOMP-UHFFFAOYSA-N 1 2 373.409 3.018 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598679113 507549468 /nfs/dbraw/zinc/54/94/68/507549468.db2.gz XNBPLYYQGWHOMP-UHFFFAOYSA-N 1 2 373.409 3.018 20 5 FGBDLO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000592400988 507639534 /nfs/dbraw/zinc/63/95/34/507639534.db2.gz VOOWOYMBMVQTCG-DOMZBBRYSA-N 1 2 365.430 3.022 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595758299 507669530 /nfs/dbraw/zinc/66/95/30/507669530.db2.gz HSJQQXSTUCUVLF-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595758299 507669535 /nfs/dbraw/zinc/66/95/35/507669535.db2.gz HSJQQXSTUCUVLF-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO CC(C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000611411274 507670389 /nfs/dbraw/zinc/67/03/89/507670389.db2.gz WJYPFJYJLQNBQI-UHFFFAOYSA-N 1 2 373.478 3.392 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000595807422 507695276 /nfs/dbraw/zinc/69/52/76/507695276.db2.gz OYAPYMQEFTZBIJ-AWEZNQCLSA-N 1 2 359.426 3.065 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000592532399 507698074 /nfs/dbraw/zinc/69/80/74/507698074.db2.gz NKXRXDSHWSDVEC-ZDUSSCGKSA-N 1 2 350.415 3.146 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000592532399 507698080 /nfs/dbraw/zinc/69/80/80/507698080.db2.gz NKXRXDSHWSDVEC-ZDUSSCGKSA-N 1 2 350.415 3.146 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611560821 507739423 /nfs/dbraw/zinc/73/94/23/507739423.db2.gz FKAJXPMDPCOWLD-QGZVFWFLSA-N 1 2 352.398 3.136 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)cc1 ZINC000826498311 608421274 /nfs/dbraw/zinc/42/12/74/608421274.db2.gz PETSDUBZVCMUTG-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)cc1 ZINC000826498311 608421275 /nfs/dbraw/zinc/42/12/75/608421275.db2.gz PETSDUBZVCMUTG-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000018232270 695636841 /nfs/dbraw/zinc/63/68/41/695636841.db2.gz KUYBEDCOFALPAS-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000018232270 695636842 /nfs/dbraw/zinc/63/68/42/695636842.db2.gz KUYBEDCOFALPAS-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000122440925 700690144 /nfs/dbraw/zinc/69/01/44/700690144.db2.gz LHVLZYNSVIQMSW-FMKPAKJESA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000122440925 700690146 /nfs/dbraw/zinc/69/01/46/700690146.db2.gz LHVLZYNSVIQMSW-FMKPAKJESA-N 1 2 367.877 3.322 20 5 FGBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000131029060 700809213 /nfs/dbraw/zinc/80/92/13/700809213.db2.gz RBUQCFBLWFGHRW-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000131029060 700809216 /nfs/dbraw/zinc/80/92/16/700809216.db2.gz RBUQCFBLWFGHRW-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131300789 700813385 /nfs/dbraw/zinc/81/33/85/700813385.db2.gz SEBNLYGUJSBKRZ-UHFFFAOYSA-N 1 2 360.288 3.427 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155028108 705060209 /nfs/dbraw/zinc/06/02/09/705060209.db2.gz CMTQGQVWHMGRPO-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccoc1 ZINC000374663134 713937842 /nfs/dbraw/zinc/93/78/42/713937842.db2.gz LSQPVSLTBFNCCH-UHFFFAOYSA-N 1 2 363.801 3.236 20 5 FGBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c(F)c1 ZINC000618616409 714762176 /nfs/dbraw/zinc/76/21/76/714762176.db2.gz DAOZKGHUUCYNGF-UHFFFAOYSA-N 1 2 365.162 3.407 20 5 FGBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c(F)c1 ZINC000618616409 714762177 /nfs/dbraw/zinc/76/21/77/714762177.db2.gz DAOZKGHUUCYNGF-UHFFFAOYSA-N 1 2 365.162 3.407 20 5 FGBDLO COc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1[N+](=O)[O-] ZINC000714929118 722415640 /nfs/dbraw/zinc/41/56/40/722415640.db2.gz HOSBGZDAWZKZTH-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000726587805 722436225 /nfs/dbraw/zinc/43/62/25/722436225.db2.gz CTLFBQDKAYMZTM-NSHDSACASA-N 1 2 365.411 3.247 20 5 FGBDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000726587805 722436226 /nfs/dbraw/zinc/43/62/26/722436226.db2.gz CTLFBQDKAYMZTM-NSHDSACASA-N 1 2 365.411 3.247 20 5 FGBDLO Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(N(C)C)[nH+]1 ZINC000750390700 722765655 /nfs/dbraw/zinc/76/56/55/722765655.db2.gz ICUBZKYSFLNBEW-UHFFFAOYSA-N 1 2 363.805 3.339 20 5 FGBDLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000754347472 722935314 /nfs/dbraw/zinc/93/53/14/722935314.db2.gz LOAOZMSKCUWUNU-CYBMUJFWSA-N 1 2 367.789 3.065 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCOC2)CC1 ZINC000761058233 723118295 /nfs/dbraw/zinc/11/82/95/723118295.db2.gz IULCJTRGQNHDMZ-GFCCVEGCSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000791438467 723243930 /nfs/dbraw/zinc/24/39/30/723243930.db2.gz DQOLQCSRGPJSBM-GFCCVEGCSA-N 1 2 351.472 3.268 20 5 FGBDLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891166 723378064 /nfs/dbraw/zinc/37/80/64/723378064.db2.gz DWDFCIWTUAMWPJ-GHMZBOCLSA-N 1 2 355.232 3.283 20 5 FGBDLO C[C@@H]1CC[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891166 723378067 /nfs/dbraw/zinc/37/80/67/723378067.db2.gz DWDFCIWTUAMWPJ-GHMZBOCLSA-N 1 2 355.232 3.283 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCC(C)=C(Br)C2)c([N+](=O)[O-])c1 ZINC000797527546 723830675 /nfs/dbraw/zinc/83/06/75/723830675.db2.gz CAFGNLCPVNUDCK-UHFFFAOYSA-N 1 2 371.231 3.357 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCC(C)=C(Br)C2)c([N+](=O)[O-])c1 ZINC000797527546 723830676 /nfs/dbraw/zinc/83/06/76/723830676.db2.gz CAFGNLCPVNUDCK-UHFFFAOYSA-N 1 2 371.231 3.357 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000776272565 724127153 /nfs/dbraw/zinc/12/71/53/724127153.db2.gz WGJXHIBXEVQDLC-GOSISDBHSA-N 1 2 361.829 3.104 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809696533 725259725 /nfs/dbraw/zinc/25/97/25/725259725.db2.gz LODHWHCPJIQMCY-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809696533 725259727 /nfs/dbraw/zinc/25/97/27/725259727.db2.gz LODHWHCPJIQMCY-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998197 725281440 /nfs/dbraw/zinc/28/14/40/725281440.db2.gz NJEMVTRATBUJEZ-NSHDSACASA-N 1 2 362.257 3.054 20 5 FGBDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000814033526 726933463 /nfs/dbraw/zinc/93/34/63/726933463.db2.gz BUTRXGJVHLRDSQ-SMDDNHRTSA-N 1 2 362.348 3.297 20 5 FGBDLO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815146854 727045523 /nfs/dbraw/zinc/04/55/23/727045523.db2.gz USVWCLLRKZLUIX-UKRRQHHQSA-N 1 2 362.348 3.060 20 5 FGBDLO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815146854 727045525 /nfs/dbraw/zinc/04/55/25/727045525.db2.gz USVWCLLRKZLUIX-UKRRQHHQSA-N 1 2 362.348 3.060 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1sccc1F ZINC000816092699 727123918 /nfs/dbraw/zinc/12/39/18/727123918.db2.gz MQGJVYFZMRTIFE-ZDUSSCGKSA-N 1 2 350.371 3.227 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1sccc1F ZINC000816092699 727123919 /nfs/dbraw/zinc/12/39/19/727123919.db2.gz MQGJVYFZMRTIFE-ZDUSSCGKSA-N 1 2 350.371 3.227 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000817363284 727243409 /nfs/dbraw/zinc/24/34/09/727243409.db2.gz ZWLUFZQNUBGHPQ-ZDUSSCGKSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000817363284 727243410 /nfs/dbraw/zinc/24/34/10/727243410.db2.gz ZWLUFZQNUBGHPQ-ZDUSSCGKSA-N 1 2 365.231 3.218 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(F)F ZINC000825806330 729395917 /nfs/dbraw/zinc/39/59/17/729395917.db2.gz LPCMKEXANCJXBL-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)nc1 ZINC000848924822 731220838 /nfs/dbraw/zinc/22/08/38/731220838.db2.gz BZTNZRQQPCNUNX-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065270 735583738 /nfs/dbraw/zinc/58/37/38/735583738.db2.gz WWTPVYQMCYCCDN-VIFPVBQESA-N 1 2 358.416 3.050 20 5 FGBDLO CC[C@@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000892965596 740063727 /nfs/dbraw/zinc/06/37/27/740063727.db2.gz KOCHHPFKZOFSME-MRXNPFEDSA-N 1 2 351.428 3.489 20 5 FGBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069415 758174074 /nfs/dbraw/zinc/17/40/74/758174074.db2.gz RYNBTWXILCEACT-VIFPVBQESA-N 1 2 367.755 3.400 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cn(C)nn1 ZINC000922632388 758966139 /nfs/dbraw/zinc/96/61/39/758966139.db2.gz GLCPVJVBDYYDDF-JTQLQIEISA-N 1 2 361.789 3.488 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cn(C)nn1 ZINC000922632389 758966204 /nfs/dbraw/zinc/96/62/04/758966204.db2.gz GLCPVJVBDYYDDF-SNVBAGLBSA-N 1 2 361.789 3.488 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000932032069 761037626 /nfs/dbraw/zinc/03/76/26/761037626.db2.gz RBCPBZBAEKRGIX-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)nc2c1 ZINC000932203688 761085866 /nfs/dbraw/zinc/08/58/66/761085866.db2.gz LZQLBJADGREQSU-LBPRGKRZSA-N 1 2 357.439 3.382 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)nc2c1 ZINC000932203688 761085878 /nfs/dbraw/zinc/08/58/78/761085878.db2.gz LZQLBJADGREQSU-LBPRGKRZSA-N 1 2 357.439 3.382 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000933254321 761346059 /nfs/dbraw/zinc/34/60/59/761346059.db2.gz AAZGJGUWDDQKCY-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC[C@H](C)C1 ZINC000249028725 257371246 /nfs/dbraw/zinc/37/12/46/257371246.db2.gz LUGQDKKNVDDQCC-GHMZBOCLSA-N 1 2 357.863 3.260 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC[C@H](C)C1 ZINC000249028725 257371247 /nfs/dbraw/zinc/37/12/47/257371247.db2.gz LUGQDKKNVDDQCC-GHMZBOCLSA-N 1 2 357.863 3.260 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000576757802 505587968 /nfs/dbraw/zinc/58/79/68/505587968.db2.gz KKTFKDSLMYLNHS-ZDUSSCGKSA-N 1 2 357.410 3.377 20 5 FGBDLO C[NH+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccc(Cl)c1 ZINC000570885183 505602651 /nfs/dbraw/zinc/60/26/51/505602651.db2.gz WZMDSCLVMCJRBO-INIZCTEOSA-N 1 2 373.800 3.268 20 5 FGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]1 ZINC000573928277 505653697 /nfs/dbraw/zinc/65/36/97/505653697.db2.gz ZRGLJCUWNJIINA-UHFFFAOYSA-N 1 2 356.304 3.310 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000571143690 505664216 /nfs/dbraw/zinc/66/42/16/505664216.db2.gz QAPIKKIZWAXVPC-OAHLLOKOSA-N 1 2 369.421 3.169 20 5 FGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000048298042 493813131 /nfs/dbraw/zinc/81/31/31/493813131.db2.gz PWCQNPXUQKVDRJ-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000058398563 493849095 /nfs/dbraw/zinc/84/90/95/493849095.db2.gz LTLQAQRMSZLGLG-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO Cc1c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000058856051 493888908 /nfs/dbraw/zinc/88/89/08/493888908.db2.gz VMZCITKCOCXZSR-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081600654 493926915 /nfs/dbraw/zinc/92/69/15/493926915.db2.gz VMYIOJGBVRFCLE-ZDUSSCGKSA-N 1 2 365.384 3.065 20 5 FGBDLO Cc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000031900555 493965753 /nfs/dbraw/zinc/96/57/53/493965753.db2.gz VZUJZYFVIHGKHK-OAHLLOKOSA-N 1 2 374.397 3.357 20 5 FGBDLO COc1cccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032038964 493972083 /nfs/dbraw/zinc/97/20/83/493972083.db2.gz NTDNJZSNOSJBMY-UHFFFAOYSA-N 1 2 366.377 3.061 20 5 FGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000051537095 493974541 /nfs/dbraw/zinc/97/45/41/493974541.db2.gz MXPPQBVAPVLSQR-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000051537095 493974543 /nfs/dbraw/zinc/97/45/43/493974543.db2.gz MXPPQBVAPVLSQR-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007039280 493995790 /nfs/dbraw/zinc/99/57/90/493995790.db2.gz RXQAZWKHPYZDEZ-HNNXBMFYSA-N 1 2 362.817 3.362 20 5 FGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007039280 493995794 /nfs/dbraw/zinc/99/57/94/493995794.db2.gz RXQAZWKHPYZDEZ-HNNXBMFYSA-N 1 2 362.817 3.362 20 5 FGBDLO C[C@H]1CCCN(c2cc(N3CCOc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000574128306 505700049 /nfs/dbraw/zinc/70/00/49/505700049.db2.gz UAVJSKCWNNWYPF-AWEZNQCLSA-N 1 2 369.425 3.020 20 5 FGBDLO C[C@H]1CCCN(c2cc(N3CCOc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000574128306 505700052 /nfs/dbraw/zinc/70/00/52/505700052.db2.gz UAVJSKCWNNWYPF-AWEZNQCLSA-N 1 2 369.425 3.020 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814856 494169035 /nfs/dbraw/zinc/16/90/35/494169035.db2.gz AZLKTQQXLAQOCE-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814856 494169040 /nfs/dbraw/zinc/16/90/40/494169040.db2.gz AZLKTQQXLAQOCE-UHFFFAOYSA-N 1 2 367.405 3.337 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605552 494252388 /nfs/dbraw/zinc/25/23/88/494252388.db2.gz NSPJXCWSQZBTQJ-GJZGRUSLSA-N 1 2 353.422 3.219 20 5 FGBDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605552 494252392 /nfs/dbraw/zinc/25/23/92/494252392.db2.gz NSPJXCWSQZBTQJ-GJZGRUSLSA-N 1 2 353.422 3.219 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043149618 494271008 /nfs/dbraw/zinc/27/10/08/494271008.db2.gz YRTSOSWIMARUQI-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072975452 494295592 /nfs/dbraw/zinc/29/55/92/494295592.db2.gz IECBFFSTKRNTRX-STQMWFEESA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072975452 494295596 /nfs/dbraw/zinc/29/55/96/494295596.db2.gz IECBFFSTKRNTRX-STQMWFEESA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056371362 494494876 /nfs/dbraw/zinc/49/48/76/494494876.db2.gz BMEVAMVLHQPMNE-ZDUSSCGKSA-N 1 2 367.409 3.313 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083982 494528887 /nfs/dbraw/zinc/52/88/87/494528887.db2.gz AHACQPSETDEGDE-UHFFFAOYSA-N 1 2 357.401 3.155 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083982 494528891 /nfs/dbraw/zinc/52/88/91/494528891.db2.gz AHACQPSETDEGDE-UHFFFAOYSA-N 1 2 357.401 3.155 20 5 FGBDLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599512 494540005 /nfs/dbraw/zinc/54/00/05/494540005.db2.gz CAHBAHBOAIDGMU-HUUCEWRRSA-N 1 2 371.437 3.301 20 5 FGBDLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599512 494540008 /nfs/dbraw/zinc/54/00/08/494540008.db2.gz CAHBAHBOAIDGMU-HUUCEWRRSA-N 1 2 371.437 3.301 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131435115 494617579 /nfs/dbraw/zinc/61/75/79/494617579.db2.gz XJCGLVFGVVSHIG-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131435115 494617584 /nfs/dbraw/zinc/61/75/84/494617584.db2.gz XJCGLVFGVVSHIG-ZDUSSCGKSA-N 1 2 373.840 3.311 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000047255685 494664252 /nfs/dbraw/zinc/66/42/52/494664252.db2.gz WMODVBJVUMOATB-UHFFFAOYSA-N 1 2 371.462 3.145 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+](C)Cc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000092591281 494680711 /nfs/dbraw/zinc/68/07/11/494680711.db2.gz MWUYBFSAGZMZMO-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000092591281 494680715 /nfs/dbraw/zinc/68/07/15/494680715.db2.gz MWUYBFSAGZMZMO-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131643733 494684710 /nfs/dbraw/zinc/68/47/10/494684710.db2.gz JDAWEFDVYJLUOP-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131643733 494684714 /nfs/dbraw/zinc/68/47/14/494684714.db2.gz JDAWEFDVYJLUOP-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000116103186 494701795 /nfs/dbraw/zinc/70/17/95/494701795.db2.gz JHHBAMOMTWQWPC-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091890282 494713337 /nfs/dbraw/zinc/71/33/37/494713337.db2.gz LSUWNDBHMHTNBC-FNORWQNLSA-N 1 2 356.426 3.031 20 5 FGBDLO CCn1c2ccccc2nc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092048131 494769577 /nfs/dbraw/zinc/76/95/77/494769577.db2.gz WKMJZNPCGCANKQ-UHFFFAOYSA-N 1 2 365.437 3.287 20 5 FGBDLO CCc1cc(NCCCn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108855189 494796978 /nfs/dbraw/zinc/79/69/78/494796978.db2.gz HLJVIIXRLDGTNR-UHFFFAOYSA-N 1 2 352.398 3.313 20 5 FGBDLO CCC(=O)N1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092186841 494805554 /nfs/dbraw/zinc/80/55/54/494805554.db2.gz MTDKACPIJVWGIO-UHFFFAOYSA-N 1 2 374.466 3.163 20 5 FGBDLO CCC(=O)N1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092186841 494805561 /nfs/dbraw/zinc/80/55/61/494805561.db2.gz MTDKACPIJVWGIO-UHFFFAOYSA-N 1 2 374.466 3.163 20 5 FGBDLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027108986 494852807 /nfs/dbraw/zinc/85/28/07/494852807.db2.gz DIFCGAAAAFJUAM-UHFFFAOYSA-N 1 2 357.435 3.210 20 5 FGBDLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027108986 494852812 /nfs/dbraw/zinc/85/28/12/494852812.db2.gz DIFCGAAAAFJUAM-UHFFFAOYSA-N 1 2 357.435 3.210 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093337069 494872583 /nfs/dbraw/zinc/87/25/83/494872583.db2.gz ASJNHDMCVVVBRF-UHFFFAOYSA-N 1 2 352.394 3.177 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1[nH+]cc2ccccn21 ZINC000117108827 494891028 /nfs/dbraw/zinc/89/10/28/494891028.db2.gz FHZNLENCEWZPGA-UHFFFAOYSA-N 1 2 370.390 3.333 20 5 FGBDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093663511 494909656 /nfs/dbraw/zinc/90/96/56/494909656.db2.gz CTBMBJPULXNWMQ-UHFFFAOYSA-N 1 2 361.471 3.200 20 5 FGBDLO O=C(C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000119259399 495129265 /nfs/dbraw/zinc/12/92/65/495129265.db2.gz QYESDEPFGIBSGK-IBGZPJMESA-N 1 2 354.406 3.111 20 5 FGBDLO O=C(C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000119259399 495129268 /nfs/dbraw/zinc/12/92/68/495129268.db2.gz QYESDEPFGIBSGK-IBGZPJMESA-N 1 2 354.406 3.111 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ncn(Cc3cn4cc(Cl)ccc4[nH+]3)n2)c1 ZINC000102847215 495166182 /nfs/dbraw/zinc/16/61/82/495166182.db2.gz AAXJTJIGPSRFBC-UHFFFAOYSA-N 1 2 354.757 3.203 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000123661313 495168322 /nfs/dbraw/zinc/16/83/22/495168322.db2.gz BKAGPPKUWFWKSE-MRXNPFEDSA-N 1 2 371.462 3.492 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134569261 495169123 /nfs/dbraw/zinc/16/91/23/495169123.db2.gz UANCIKRGNSDHFS-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO CCOC(=O)C(C)(C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112356407 495180298 /nfs/dbraw/zinc/18/02/98/495180298.db2.gz OFYUHUIMTGWZPQ-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112356407 495180302 /nfs/dbraw/zinc/18/03/02/495180302.db2.gz OFYUHUIMTGWZPQ-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119754061 495234326 /nfs/dbraw/zinc/23/43/26/495234326.db2.gz RLIFRGLOYSLSJC-CMJOXMDJSA-N 1 2 352.843 3.458 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000112744641 495234813 /nfs/dbraw/zinc/23/48/13/495234813.db2.gz SECFHGGTRSYLHR-ZDUSSCGKSA-N 1 2 371.441 3.281 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124157258 495243045 /nfs/dbraw/zinc/24/30/45/495243045.db2.gz MONFDJMKZQWKML-LJQANCHMSA-N 1 2 369.421 3.051 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124157258 495243049 /nfs/dbraw/zinc/24/30/49/495243049.db2.gz MONFDJMKZQWKML-LJQANCHMSA-N 1 2 369.421 3.051 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114725054 495415845 /nfs/dbraw/zinc/41/58/45/495415845.db2.gz NYHQSYQNUOESCK-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114725054 495415849 /nfs/dbraw/zinc/41/58/49/495415849.db2.gz NYHQSYQNUOESCK-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125301329 495422957 /nfs/dbraw/zinc/42/29/57/495422957.db2.gz NZTADQZNSNBTIT-UHFFFAOYSA-N 1 2 362.382 3.011 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125301329 495422962 /nfs/dbraw/zinc/42/29/62/495422962.db2.gz NZTADQZNSNBTIT-UHFFFAOYSA-N 1 2 362.382 3.011 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000138889286 495469519 /nfs/dbraw/zinc/46/95/19/495469519.db2.gz HEVZFUYUVLQGHG-QGZVFWFLSA-N 1 2 371.393 3.085 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000138889286 495469523 /nfs/dbraw/zinc/46/95/23/495469523.db2.gz HEVZFUYUVLQGHG-QGZVFWFLSA-N 1 2 371.393 3.085 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131099650 495492077 /nfs/dbraw/zinc/49/20/77/495492077.db2.gz UWSOPHMMFVFZIW-INIZCTEOSA-N 1 2 359.382 3.110 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131099650 495492082 /nfs/dbraw/zinc/49/20/82/495492082.db2.gz UWSOPHMMFVFZIW-INIZCTEOSA-N 1 2 359.382 3.110 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000185351585 495542855 /nfs/dbraw/zinc/54/28/55/495542855.db2.gz HWFJNSXXICXUNX-OAHLLOKOSA-N 1 2 359.451 3.393 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000185351585 495542857 /nfs/dbraw/zinc/54/28/57/495542857.db2.gz HWFJNSXXICXUNX-OAHLLOKOSA-N 1 2 359.451 3.393 20 5 FGBDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000170686745 495565462 /nfs/dbraw/zinc/56/54/62/495565462.db2.gz XFELTLKSJCNCHY-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179518727 495626805 /nfs/dbraw/zinc/62/68/05/495626805.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 1 2 368.397 3.111 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179518727 495626814 /nfs/dbraw/zinc/62/68/14/495626814.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 1 2 368.397 3.111 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000183203920 495878987 /nfs/dbraw/zinc/87/89/87/495878987.db2.gz OIBYMKRHYDCNBH-CKWWRACOSA-N 1 2 354.410 3.304 20 5 FGBDLO CCCc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000180259614 495927726 /nfs/dbraw/zinc/92/77/26/495927726.db2.gz XAEVEBHXGLGIHK-UHFFFAOYSA-N 1 2 357.395 3.442 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619867 495951331 /nfs/dbraw/zinc/95/13/31/495951331.db2.gz LHAWSZCLLNMUGT-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619867 495951334 /nfs/dbraw/zinc/95/13/34/495951334.db2.gz LHAWSZCLLNMUGT-ZDUSSCGKSA-N 1 2 364.405 3.461 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180512662 496027268 /nfs/dbraw/zinc/02/72/68/496027268.db2.gz MQAMRENFNFZNDR-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180512662 496027272 /nfs/dbraw/zinc/02/72/72/496027272.db2.gz MQAMRENFNFZNDR-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186655076 496092524 /nfs/dbraw/zinc/09/25/24/496092524.db2.gz GAOGKXRHQHJXCO-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186655076 496092530 /nfs/dbraw/zinc/09/25/30/496092530.db2.gz GAOGKXRHQHJXCO-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000152507576 496171800 /nfs/dbraw/zinc/17/18/00/496171800.db2.gz DEMGOAKUISCRJK-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177838758 496217939 /nfs/dbraw/zinc/21/79/39/496217939.db2.gz DQOHAWMDCULHDM-CYBMUJFWSA-N 1 2 352.394 3.439 20 5 FGBDLO Cc1c(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000177895180 496242557 /nfs/dbraw/zinc/24/25/57/496242557.db2.gz GMQQTFXUFFAHSY-UHFFFAOYSA-N 1 2 372.400 3.392 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152798908 496260025 /nfs/dbraw/zinc/26/00/25/496260025.db2.gz RCKOYZXXGIFRBN-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152798908 496260029 /nfs/dbraw/zinc/26/00/29/496260029.db2.gz RCKOYZXXGIFRBN-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000175143634 496264732 /nfs/dbraw/zinc/26/47/32/496264732.db2.gz MOJDCGTYIYSLPK-IBGZPJMESA-N 1 2 368.437 3.050 20 5 FGBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000175143634 496264734 /nfs/dbraw/zinc/26/47/34/496264734.db2.gz MOJDCGTYIYSLPK-IBGZPJMESA-N 1 2 368.437 3.050 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175198297 496288183 /nfs/dbraw/zinc/28/81/83/496288183.db2.gz HLNQFAZFUJBEGX-UHFFFAOYSA-N 1 2 369.377 3.420 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000175198297 496288188 /nfs/dbraw/zinc/28/81/88/496288188.db2.gz HLNQFAZFUJBEGX-UHFFFAOYSA-N 1 2 369.377 3.420 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccccn3)C3CC3)o2)cc1 ZINC000181335459 496358505 /nfs/dbraw/zinc/35/85/05/496358505.db2.gz XABCTKJXCOWYOX-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccccn3)C3CC3)o2)cc1 ZINC000181335459 496358510 /nfs/dbraw/zinc/35/85/10/496358510.db2.gz XABCTKJXCOWYOX-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153135684 496363635 /nfs/dbraw/zinc/36/36/35/496363635.db2.gz ATRIRBUITHWCPQ-PHIMTYICSA-N 1 2 368.231 3.028 20 5 FGBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153135684 496363639 /nfs/dbraw/zinc/36/36/39/496363639.db2.gz ATRIRBUITHWCPQ-PHIMTYICSA-N 1 2 368.231 3.028 20 5 FGBDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153236944 496392800 /nfs/dbraw/zinc/39/28/00/496392800.db2.gz FZIIGNAZAGERHY-JKSUJKDBSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153236944 496392803 /nfs/dbraw/zinc/39/28/03/496392803.db2.gz FZIIGNAZAGERHY-JKSUJKDBSA-N 1 2 367.449 3.261 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000163525126 496528519 /nfs/dbraw/zinc/52/85/19/496528519.db2.gz YFFPKYLNYVQJFV-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000163525126 496528522 /nfs/dbraw/zinc/52/85/22/496528522.db2.gz YFFPKYLNYVQJFV-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578067507 505854403 /nfs/dbraw/zinc/85/44/03/505854403.db2.gz RQWXNXVQUJTZTN-ZBFHGGJFSA-N 1 2 355.394 3.075 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578067507 505854410 /nfs/dbraw/zinc/85/44/10/505854410.db2.gz RQWXNXVQUJTZTN-ZBFHGGJFSA-N 1 2 355.394 3.075 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000569128595 505859315 /nfs/dbraw/zinc/85/93/15/505859315.db2.gz INQXDILBVIUMCA-ZDUSSCGKSA-N 1 2 358.398 3.184 20 5 FGBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179163126 496698297 /nfs/dbraw/zinc/69/82/97/496698297.db2.gz YFOVOZIYDNHZDU-ZDUSSCGKSA-N 1 2 368.418 3.213 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000182202750 496705622 /nfs/dbraw/zinc/70/56/22/496705622.db2.gz GVSRTWZHXMMAEQ-UHFFFAOYSA-N 1 2 374.462 3.248 20 5 FGBDLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182212848 496709672 /nfs/dbraw/zinc/70/96/72/496709672.db2.gz UHGKOJIXYQOHHO-HNNXBMFYSA-N 1 2 362.451 3.370 20 5 FGBDLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182212848 496709678 /nfs/dbraw/zinc/70/96/78/496709678.db2.gz UHGKOJIXYQOHHO-HNNXBMFYSA-N 1 2 362.451 3.370 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277668115 496847452 /nfs/dbraw/zinc/84/74/52/496847452.db2.gz FLJKGVGHFLQHID-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277668115 496847456 /nfs/dbraw/zinc/84/74/56/496847456.db2.gz FLJKGVGHFLQHID-NOZJJQNGSA-N 1 2 352.740 3.383 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000195303845 496882443 /nfs/dbraw/zinc/88/24/43/496882443.db2.gz HGVNZZRTSATBJJ-UHFFFAOYSA-N 1 2 351.366 3.376 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000572055765 505878407 /nfs/dbraw/zinc/87/84/07/505878407.db2.gz LXGFKFHGWYAXBD-NSHDSACASA-N 1 2 356.304 3.311 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000277942374 496945038 /nfs/dbraw/zinc/94/50/38/496945038.db2.gz DZWVBCUNSOBYST-BXUZGUMPSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000277942374 496945045 /nfs/dbraw/zinc/94/50/45/496945045.db2.gz DZWVBCUNSOBYST-BXUZGUMPSA-N 1 2 364.789 3.224 20 5 FGBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000274294489 497063032 /nfs/dbraw/zinc/06/30/32/497063032.db2.gz LTRNACQYIZEFKA-ZDUSSCGKSA-N 1 2 362.455 3.081 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248882704 497124965 /nfs/dbraw/zinc/12/49/65/497124965.db2.gz XFBDQQVFQBHWLY-JQFCIGGWSA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248882704 497124968 /nfs/dbraw/zinc/12/49/68/497124968.db2.gz XFBDQQVFQBHWLY-JQFCIGGWSA-N 1 2 371.393 3.023 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000569252097 505889545 /nfs/dbraw/zinc/88/95/45/505889545.db2.gz DAVOBGUAWOHCSP-UHFFFAOYSA-N 1 2 363.333 3.233 20 5 FGBDLO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000189687264 497211677 /nfs/dbraw/zinc/21/16/77/497211677.db2.gz UYVSDJWYYDNYJT-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCCCNc1cccc[nH+]1 ZINC000266421072 497335345 /nfs/dbraw/zinc/33/53/45/497335345.db2.gz SCAURVSBBPZJIQ-UHFFFAOYSA-N 1 2 371.397 3.251 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279370398 497419384 /nfs/dbraw/zinc/41/93/84/497419384.db2.gz RULTYBNXJSYYOM-BFQNTYOBSA-N 1 2 358.398 3.205 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279370398 497419386 /nfs/dbraw/zinc/41/93/86/497419386.db2.gz RULTYBNXJSYYOM-BFQNTYOBSA-N 1 2 358.398 3.205 20 5 FGBDLO COc1cccc(C2([NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 ZINC000271715019 497426832 /nfs/dbraw/zinc/42/68/32/497426832.db2.gz OLMWJSOQJMRXQB-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO CN(CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272489127 497642770 /nfs/dbraw/zinc/64/27/70/497642770.db2.gz DLQXRSRDZYONJD-IBGZPJMESA-N 1 2 365.437 3.144 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)C1 ZINC000272594466 497674560 /nfs/dbraw/zinc/67/45/60/497674560.db2.gz GJOPLMFZLKLHGH-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)C1 ZINC000272594466 497674565 /nfs/dbraw/zinc/67/45/65/497674565.db2.gz GJOPLMFZLKLHGH-CYBMUJFWSA-N 1 2 352.778 3.080 20 5 FGBDLO Cc1cc(NCC2([S@](C)=O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280720946 497872181 /nfs/dbraw/zinc/87/21/81/497872181.db2.gz IXFXEFSYJFOGOP-VWLOTQADSA-N 1 2 360.439 3.073 20 5 FGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299653045 497881977 /nfs/dbraw/zinc/88/19/77/497881977.db2.gz LHRKFJINZAURMA-MRXNPFEDSA-N 1 2 353.382 3.026 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)c1 ZINC000364322581 497899592 /nfs/dbraw/zinc/89/95/92/497899592.db2.gz GRERKZQOMYJJAV-HNNXBMFYSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)c1 ZINC000364322581 497899598 /nfs/dbraw/zinc/89/95/98/497899598.db2.gz GRERKZQOMYJJAV-HNNXBMFYSA-N 1 2 371.372 3.423 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296056198 497906705 /nfs/dbraw/zinc/90/67/05/497906705.db2.gz ZNFLMDVOVXTEQJ-IUODEOHRSA-N 1 2 374.466 3.419 20 5 FGBDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280906862 497944668 /nfs/dbraw/zinc/94/46/68/497944668.db2.gz IDLZGLWXPGSXTF-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301098607 497949933 /nfs/dbraw/zinc/94/99/33/497949933.db2.gz JWMQNKFWOQCHDD-PKOBYXMFSA-N 1 2 362.389 3.430 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)on1 ZINC000301118864 497959487 /nfs/dbraw/zinc/95/94/87/497959487.db2.gz WLDMVKZHZQYHST-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO CSC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000292322884 497970563 /nfs/dbraw/zinc/97/05/63/497970563.db2.gz FOOAHDKKPQKUDH-NSHDSACASA-N 1 2 357.863 3.262 20 5 FGBDLO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000292322884 497970566 /nfs/dbraw/zinc/97/05/66/497970566.db2.gz FOOAHDKKPQKUDH-NSHDSACASA-N 1 2 357.863 3.262 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)n1 ZINC000285134395 498003024 /nfs/dbraw/zinc/00/30/24/498003024.db2.gz SNMNMDZCSZNSQW-QGZVFWFLSA-N 1 2 366.425 3.409 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)n1 ZINC000285134395 498003020 /nfs/dbraw/zinc/00/30/20/498003020.db2.gz SNMNMDZCSZNSQW-QGZVFWFLSA-N 1 2 366.425 3.409 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000281150982 498036883 /nfs/dbraw/zinc/03/68/83/498036883.db2.gz HLLSDILIJUWCAN-OAHLLOKOSA-N 1 2 358.398 3.149 20 5 FGBDLO COc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301380022 498083529 /nfs/dbraw/zinc/08/35/29/498083529.db2.gz YIDIBKXFRQAVBD-SFHVURJKSA-N 1 2 357.410 3.089 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000301590517 498178559 /nfs/dbraw/zinc/17/85/59/498178559.db2.gz YQOGHOLHRJRGJF-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO COc1ccc([C@@H](CCO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000285716947 498179513 /nfs/dbraw/zinc/17/95/13/498179513.db2.gz SRUUPJGMUSIZPO-QGZVFWFLSA-N 1 2 352.337 3.095 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000292899732 498190176 /nfs/dbraw/zinc/19/01/76/498190176.db2.gz JXNVGWVFOQWSSX-JTQLQIEISA-N 1 2 353.220 3.250 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285754363 498191455 /nfs/dbraw/zinc/19/14/55/498191455.db2.gz RBTHXNZASZBDBW-MNOVXSKESA-N 1 2 364.352 3.254 20 5 FGBDLO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959607 498225357 /nfs/dbraw/zinc/22/53/57/498225357.db2.gz AZCIJMNJBQVTTO-BDJLRTHQSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959607 498225364 /nfs/dbraw/zinc/22/53/64/498225364.db2.gz AZCIJMNJBQVTTO-BDJLRTHQSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(F)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000296891887 498239396 /nfs/dbraw/zinc/23/93/96/498239396.db2.gz XFRJMUJDRZHWOO-BDJLRTHQSA-N 1 2 361.377 3.354 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Br)c1 ZINC000301769139 498256744 /nfs/dbraw/zinc/25/67/44/498256744.db2.gz JKIYDFSYBBQBMK-NSHDSACASA-N 1 2 363.215 3.443 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000281796371 498271919 /nfs/dbraw/zinc/27/19/19/498271919.db2.gz MKUDQHALBISMHQ-HNNXBMFYSA-N 1 2 358.398 3.187 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000301939801 498338277 /nfs/dbraw/zinc/33/82/77/498338277.db2.gz TZBRVCRWBPAVPQ-UHFFFAOYSA-N 1 2 360.439 3.171 20 5 FGBDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000578778974 506018688 /nfs/dbraw/zinc/01/86/88/506018688.db2.gz ZNMXJISSCQOPPT-WMLDXEAASA-N 1 2 369.421 3.269 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1[C@H]1CCCO1 ZINC000289982324 498380300 /nfs/dbraw/zinc/38/03/00/498380300.db2.gz XXBQDGFZHGHJKA-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1[C@H]1CCCO1 ZINC000289982324 498380309 /nfs/dbraw/zinc/38/03/09/498380309.db2.gz XXBQDGFZHGHJKA-GDBMZVCRSA-N 1 2 358.398 3.034 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1Cl ZINC000286435509 498396148 /nfs/dbraw/zinc/39/61/48/498396148.db2.gz JAWVJJGMWYHXMY-MNOVXSKESA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1Cl ZINC000286435509 498396153 /nfs/dbraw/zinc/39/61/53/498396153.db2.gz JAWVJJGMWYHXMY-MNOVXSKESA-N 1 2 352.740 3.241 20 5 FGBDLO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302220456 498449364 /nfs/dbraw/zinc/44/93/64/498449364.db2.gz MDBYAIUVQNHVRW-UKRRQHHQSA-N 1 2 367.331 3.050 20 5 FGBDLO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302220456 498449368 /nfs/dbraw/zinc/44/93/68/498449368.db2.gz MDBYAIUVQNHVRW-UKRRQHHQSA-N 1 2 367.331 3.050 20 5 FGBDLO CCOC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302229735 498452485 /nfs/dbraw/zinc/45/24/85/498452485.db2.gz BJBCOAHLRFHABH-CQSZACIVSA-N 1 2 371.397 3.003 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000302696470 498535650 /nfs/dbraw/zinc/53/56/50/498535650.db2.gz SYMKACGNCFCRTH-UHFFFAOYSA-N 1 2 362.817 3.400 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000294796034 498808238 /nfs/dbraw/zinc/80/82/38/498808238.db2.gz BMNVFORMWKSTRG-BZNIZROVSA-N 1 2 362.817 3.476 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363422259 498813860 /nfs/dbraw/zinc/81/38/60/498813860.db2.gz MHDOMYHLEJDTAH-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000287670846 498832086 /nfs/dbraw/zinc/83/20/86/498832086.db2.gz HPJFREVISAXLGH-LBPRGKRZSA-N 1 2 355.385 3.058 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366506084 498955953 /nfs/dbraw/zinc/95/59/53/498955953.db2.gz QYOFMDDHIKJSKK-HNNXBMFYSA-N 1 2 350.806 3.230 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccc2Cl)CC1 ZINC000366906775 499111978 /nfs/dbraw/zinc/11/19/78/499111978.db2.gz ZJESEDSKMZXPBJ-UHFFFAOYSA-N 1 2 352.797 3.443 20 5 FGBDLO C[C@H](C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000370324595 499209559 /nfs/dbraw/zinc/20/95/59/499209559.db2.gz KFAPKQDEZUFWMJ-UONOGXRCSA-N 1 2 372.400 3.018 20 5 FGBDLO CC(=O)c1ccccc1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579290872 506137642 /nfs/dbraw/zinc/13/76/42/506137642.db2.gz OXZNRTIOTSKTFH-UHFFFAOYSA-N 1 2 356.378 3.071 20 5 FGBDLO CC(=O)c1ccccc1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579290872 506137645 /nfs/dbraw/zinc/13/76/45/506137645.db2.gz OXZNRTIOTSKTFH-UHFFFAOYSA-N 1 2 356.378 3.071 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000576358090 506138812 /nfs/dbraw/zinc/13/88/12/506138812.db2.gz DJWCIBIVKGQWEG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000576358090 506138814 /nfs/dbraw/zinc/13/88/14/506138814.db2.gz DJWCIBIVKGQWEG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)nn2)c1 ZINC000370659390 499240994 /nfs/dbraw/zinc/24/09/94/499240994.db2.gz CHAYFFZZQZCRQH-CQSZACIVSA-N 1 2 367.409 3.343 20 5 FGBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370868130 499264587 /nfs/dbraw/zinc/26/45/87/499264587.db2.gz DXXABOJZTYICDS-ZDUSSCGKSA-N 1 2 374.445 3.068 20 5 FGBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370868130 499264588 /nfs/dbraw/zinc/26/45/88/499264588.db2.gz DXXABOJZTYICDS-ZDUSSCGKSA-N 1 2 374.445 3.068 20 5 FGBDLO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000373368013 499465715 /nfs/dbraw/zinc/46/57/15/499465715.db2.gz FNQCGQUBJJRZKM-CQSZACIVSA-N 1 2 369.421 3.256 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000373703690 499484159 /nfs/dbraw/zinc/48/41/59/499484159.db2.gz XAQMBBVWVPPLEV-UHFFFAOYSA-N 1 2 366.333 3.274 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000375465646 499522584 /nfs/dbraw/zinc/52/25/84/499522584.db2.gz PGUKCMGCYRQTBF-RHSMWYFYSA-N 1 2 368.437 3.114 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000391848569 499557540 /nfs/dbraw/zinc/55/75/40/499557540.db2.gz YGGJBNZPHHFFGA-ZETCQYMHSA-N 1 2 357.233 3.368 20 5 FGBDLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563403 499810138 /nfs/dbraw/zinc/81/01/38/499810138.db2.gz BRKKFHMKYIQMMY-PIGZYNQJSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563403 499810139 /nfs/dbraw/zinc/81/01/39/499810139.db2.gz BRKKFHMKYIQMMY-PIGZYNQJSA-N 1 2 366.801 3.090 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000412028374 499814231 /nfs/dbraw/zinc/81/42/31/499814231.db2.gz RVUKNMHUQFLHTQ-UHFFFAOYSA-N 1 2 361.398 3.356 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000412028374 499814233 /nfs/dbraw/zinc/81/42/33/499814233.db2.gz RVUKNMHUQFLHTQ-UHFFFAOYSA-N 1 2 361.398 3.356 20 5 FGBDLO CC(C)Oc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000412424710 499853042 /nfs/dbraw/zinc/85/30/42/499853042.db2.gz MFNLSPIXIWJIJW-UHFFFAOYSA-N 1 2 364.427 3.152 20 5 FGBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[nH+]c1 ZINC000413353053 499944476 /nfs/dbraw/zinc/94/44/76/499944476.db2.gz OLFQJTHWNTUFAV-UHFFFAOYSA-N 1 2 354.410 3.189 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc2O1 ZINC000429139203 500011721 /nfs/dbraw/zinc/01/17/21/500011721.db2.gz GPDKINOORXBYFW-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc2O1 ZINC000429139203 500011726 /nfs/dbraw/zinc/01/17/26/500011726.db2.gz GPDKINOORXBYFW-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158598 500016477 /nfs/dbraw/zinc/01/64/77/500016477.db2.gz YGZBDXQWMLDTQJ-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158598 500016480 /nfs/dbraw/zinc/01/64/80/500016480.db2.gz YGZBDXQWMLDTQJ-KGLIPLIRSA-N 1 2 355.394 3.205 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000429197067 500022875 /nfs/dbraw/zinc/02/28/75/500022875.db2.gz NFHQYRMJNHSDAE-UHFFFAOYSA-N 1 2 370.409 3.166 20 5 FGBDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000425515860 500130466 /nfs/dbraw/zinc/13/04/66/500130466.db2.gz UFIUZLQZNCXSIM-GOSISDBHSA-N 1 2 360.414 3.025 20 5 FGBDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000425515860 500130468 /nfs/dbraw/zinc/13/04/68/500130468.db2.gz UFIUZLQZNCXSIM-GOSISDBHSA-N 1 2 360.414 3.025 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000430205710 500208597 /nfs/dbraw/zinc/20/85/97/500208597.db2.gz JMLPSNAYFGYWLD-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000430210595 500209530 /nfs/dbraw/zinc/20/95/30/500209530.db2.gz DVGGIIFRXLMNTI-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000430210595 500209533 /nfs/dbraw/zinc/20/95/33/500209533.db2.gz DVGGIIFRXLMNTI-UHFFFAOYSA-N 1 2 358.394 3.179 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430277306 500220132 /nfs/dbraw/zinc/22/01/32/500220132.db2.gz YKOQUMHCYZAKDV-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430277306 500220135 /nfs/dbraw/zinc/22/01/35/500220135.db2.gz YKOQUMHCYZAKDV-XNJGSVPQSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430277300 500220221 /nfs/dbraw/zinc/22/02/21/500220221.db2.gz YKOQUMHCYZAKDV-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430277300 500220224 /nfs/dbraw/zinc/22/02/24/500220224.db2.gz YKOQUMHCYZAKDV-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430591256 500259978 /nfs/dbraw/zinc/25/99/78/500259978.db2.gz AHCNJRPOHBNOFV-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426393828 500268473 /nfs/dbraw/zinc/26/84/73/500268473.db2.gz HHBQRUGNOVBDCV-UHFFFAOYSA-N 1 2 366.377 3.169 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426458556 500273993 /nfs/dbraw/zinc/27/39/93/500273993.db2.gz IZWFAFNKCVNFBT-CZUORRHYSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426458556 500273995 /nfs/dbraw/zinc/27/39/95/500273995.db2.gz IZWFAFNKCVNFBT-CZUORRHYSA-N 1 2 372.425 3.230 20 5 FGBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000419336835 500355206 /nfs/dbraw/zinc/35/52/06/500355206.db2.gz AVYUXKJSDPCZHD-OUAUKWLOSA-N 1 2 370.247 3.272 20 5 FGBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000419336835 500355209 /nfs/dbraw/zinc/35/52/09/500355209.db2.gz AVYUXKJSDPCZHD-OUAUKWLOSA-N 1 2 370.247 3.272 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1[nH+]ccn1CC(C)C ZINC000427999531 500456520 /nfs/dbraw/zinc/45/65/20/500456520.db2.gz ZRQLNUOCZFEKAM-UHFFFAOYSA-N 1 2 366.805 3.499 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000420494948 500466308 /nfs/dbraw/zinc/46/63/08/500466308.db2.gz ZJAOEHCQVHRIGH-YYIAUSFCSA-N 1 2 370.409 3.175 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000420494948 500466311 /nfs/dbraw/zinc/46/63/11/500466311.db2.gz ZJAOEHCQVHRIGH-YYIAUSFCSA-N 1 2 370.409 3.175 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436940224 500575430 /nfs/dbraw/zinc/57/54/30/500575430.db2.gz VDYVUUXDGKWGDY-MRXNPFEDSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436940224 500575434 /nfs/dbraw/zinc/57/54/34/500575434.db2.gz VDYVUUXDGKWGDY-MRXNPFEDSA-N 1 2 369.421 3.037 20 5 FGBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000444286786 500829300 /nfs/dbraw/zinc/82/93/00/500829300.db2.gz JAZHEWHBACAKFY-SFHVURJKSA-N 1 2 358.401 3.382 20 5 FGBDLO CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2ccccn21 ZINC000444678686 500877611 /nfs/dbraw/zinc/87/76/11/500877611.db2.gz YAJFJNMOGAHNFK-AWEZNQCLSA-N 1 2 365.397 3.145 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2F)c([N+](=O)[O-])c1 ZINC000444745553 500891714 /nfs/dbraw/zinc/89/17/14/500891714.db2.gz RXGNXJFHOUFYEI-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2F)c([N+](=O)[O-])c1 ZINC000444745553 500891717 /nfs/dbraw/zinc/89/17/17/500891717.db2.gz RXGNXJFHOUFYEI-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO CCc1cc(N[C@@H](CC)C[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439714549 500930570 /nfs/dbraw/zinc/93/05/70/500930570.db2.gz LWXQMWRDTBNVPZ-HIFRSBDPSA-N 1 2 358.442 3.245 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444997503 500931213 /nfs/dbraw/zinc/93/12/13/500931213.db2.gz OKPZCYUVHAUCBK-UHFFFAOYSA-N 1 2 374.444 3.464 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000449413358 500997810 /nfs/dbraw/zinc/99/78/10/500997810.db2.gz IBRFMXZOOHDMFK-ZETCQYMHSA-N 1 2 370.137 3.333 20 5 FGBDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441093979 501087346 /nfs/dbraw/zinc/08/73/46/501087346.db2.gz RLBZHPCVAVMFNL-UHFFFAOYSA-N 1 2 369.421 3.380 20 5 FGBDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441093979 501087347 /nfs/dbraw/zinc/08/73/47/501087347.db2.gz RLBZHPCVAVMFNL-UHFFFAOYSA-N 1 2 369.421 3.380 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413068 501115151 /nfs/dbraw/zinc/11/51/51/501115151.db2.gz RTXDPDCGPZEKLC-DOTOQJQBSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413068 501115155 /nfs/dbraw/zinc/11/51/55/501115155.db2.gz RTXDPDCGPZEKLC-DOTOQJQBSA-N 1 2 362.817 3.127 20 5 FGBDLO COc1ccccc1CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441483682 501146655 /nfs/dbraw/zinc/14/66/55/501146655.db2.gz WNQDHKHOIZVHAK-INIZCTEOSA-N 1 2 355.438 3.482 20 5 FGBDLO CS[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000450549574 501151199 /nfs/dbraw/zinc/15/11/99/501151199.db2.gz KRUPTJYKEHHQRU-HNNXBMFYSA-N 1 2 362.455 3.288 20 5 FGBDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738925 501159605 /nfs/dbraw/zinc/15/96/05/501159605.db2.gz OBNSRDLPIRXVOV-NRFANRHFSA-N 1 2 367.449 3.466 20 5 FGBDLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738925 501159606 /nfs/dbraw/zinc/15/96/06/501159606.db2.gz OBNSRDLPIRXVOV-NRFANRHFSA-N 1 2 367.449 3.466 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735153 501159649 /nfs/dbraw/zinc/15/96/49/501159649.db2.gz NJQYDFPFAUSVMM-QZNHQWIBSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735153 501159650 /nfs/dbraw/zinc/15/96/50/501159650.db2.gz NJQYDFPFAUSVMM-QZNHQWIBSA-N 1 2 359.470 3.282 20 5 FGBDLO CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450611481 501166599 /nfs/dbraw/zinc/16/65/99/501166599.db2.gz IULAWJCUWQQVSY-NSHDSACASA-N 1 2 356.304 3.241 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949978 506239872 /nfs/dbraw/zinc/23/98/72/506239872.db2.gz YOPFEIIVOGLQIO-GFCCVEGCSA-N 1 2 360.439 3.038 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000450231615 501215521 /nfs/dbraw/zinc/21/55/21/501215521.db2.gz JYUJSGUAYWGYIO-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO Cc1cc(N2CC[S@@](=O)C(C)(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450834596 501215885 /nfs/dbraw/zinc/21/58/85/501215885.db2.gz YRMRQHKPGIRYIL-AREMUKBSSA-N 1 2 374.466 3.098 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451005253 501238513 /nfs/dbraw/zinc/23/85/13/501238513.db2.gz PBXJHJAFSXGGFK-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451005253 501238514 /nfs/dbraw/zinc/23/85/14/501238514.db2.gz PBXJHJAFSXGGFK-CQSZACIVSA-N 1 2 374.828 3.461 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402688 501284156 /nfs/dbraw/zinc/28/41/56/501284156.db2.gz BYYTWMWHTUNTBD-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451402688 501284158 /nfs/dbraw/zinc/28/41/58/501284158.db2.gz BYYTWMWHTUNTBD-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO Cc1ccc[nH+]c1CCc1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000453216335 501293234 /nfs/dbraw/zinc/29/32/34/501293234.db2.gz DJIFNCRPYNTWJY-UHFFFAOYSA-N 1 2 354.366 3.354 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000452186220 501456765 /nfs/dbraw/zinc/45/67/65/501456765.db2.gz WRGOTORJAQSVPW-GXTWGEPZSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000452186220 501456767 /nfs/dbraw/zinc/45/67/67/501456767.db2.gz WRGOTORJAQSVPW-GXTWGEPZSA-N 1 2 356.426 3.424 20 5 FGBDLO C[C@@H](C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000452446996 501501965 /nfs/dbraw/zinc/50/19/65/501501965.db2.gz GLKQNPQXFTUNSG-IAQYHMDHSA-N 1 2 360.389 3.181 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456378345 501512914 /nfs/dbraw/zinc/51/29/14/501512914.db2.gz LILJCSMVXKOYSQ-JBLDHEPKSA-N 1 2 364.789 3.034 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000456411993 501520594 /nfs/dbraw/zinc/52/05/94/501520594.db2.gz HBNQWOXVTWVBDP-PELKAZGASA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470637049 501751639 /nfs/dbraw/zinc/75/16/39/501751639.db2.gz XYXCLJGHPFMNMK-ZYHUDNBSSA-N 1 2 368.315 3.193 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1Br ZINC000460336680 501795524 /nfs/dbraw/zinc/79/55/24/501795524.db2.gz VDYXHXWMYZQXEB-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)Cn1cc[nH+]c1 ZINC000485409103 501812658 /nfs/dbraw/zinc/81/26/58/501812658.db2.gz QTJLDDUAFPFYAM-ZDUSSCGKSA-N 1 2 355.373 3.163 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949626 501866101 /nfs/dbraw/zinc/86/61/01/501866101.db2.gz XDQQQGCLRHDXHM-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470949626 501866102 /nfs/dbraw/zinc/86/61/02/501866102.db2.gz XDQQQGCLRHDXHM-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO CC[C@@H](C)c1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000478294712 501934775 /nfs/dbraw/zinc/93/47/75/501934775.db2.gz WVLUIUWPIURLAI-GFCCVEGCSA-N 1 2 366.381 3.336 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000468044972 501938586 /nfs/dbraw/zinc/93/85/86/501938586.db2.gz OFADUGYIXXIOLX-UHFFFAOYSA-N 1 2 353.382 3.108 20 5 FGBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468122175 501963812 /nfs/dbraw/zinc/96/38/12/501963812.db2.gz UXRVEMMJXVBDOB-JTQLQIEISA-N 1 2 361.348 3.091 20 5 FGBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468122175 501963818 /nfs/dbraw/zinc/96/38/18/501963818.db2.gz UXRVEMMJXVBDOB-JTQLQIEISA-N 1 2 361.348 3.091 20 5 FGBDLO COc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000486102419 502047152 /nfs/dbraw/zinc/04/71/52/502047152.db2.gz MXSUVSWQENMRFF-UHFFFAOYSA-N 1 2 357.410 3.048 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+](C)Cc3ccnn3C)o2)c([N+](=O)[O-])c1 ZINC000475343278 502141771 /nfs/dbraw/zinc/14/17/71/502141771.db2.gz OWFLBUHHJSJTEJ-UHFFFAOYSA-N 1 2 356.382 3.229 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+](C)Cc3ccnn3C)o2)c([N+](=O)[O-])c1 ZINC000475343278 502141772 /nfs/dbraw/zinc/14/17/72/502141772.db2.gz OWFLBUHHJSJTEJ-UHFFFAOYSA-N 1 2 356.382 3.229 20 5 FGBDLO Cc1cnc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)s1 ZINC000599054269 506296425 /nfs/dbraw/zinc/29/64/25/506296425.db2.gz HYDIQLCAUOAULO-UHFFFAOYSA-N 1 2 355.423 3.235 20 5 FGBDLO O=C1CCCCN1CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599054543 506296994 /nfs/dbraw/zinc/29/69/94/506296994.db2.gz ZQWCDCJODWEHNK-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO Cc1ccc(C[N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000483232594 502321272 /nfs/dbraw/zinc/32/12/72/502321272.db2.gz SKENOGLHSLVHMY-UHFFFAOYSA-N 1 2 357.366 3.146 20 5 FGBDLO Cc1ccc(C[N@@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000483232594 502321275 /nfs/dbraw/zinc/32/12/75/502321275.db2.gz SKENOGLHSLVHMY-UHFFFAOYSA-N 1 2 357.366 3.146 20 5 FGBDLO COc1c(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000476254847 502431549 /nfs/dbraw/zinc/43/15/49/502431549.db2.gz XOBYIVGXPXEYTO-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO C[C@H](c1ccsc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000462475767 502454322 /nfs/dbraw/zinc/45/43/22/502454322.db2.gz XMOQGXXOPDWUOH-OAHLLOKOSA-N 1 2 361.467 3.414 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000476557986 502523648 /nfs/dbraw/zinc/52/36/48/502523648.db2.gz DDTHSSYGLWJETA-QWHCGFSZSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000476557986 502523653 /nfs/dbraw/zinc/52/36/53/502523653.db2.gz DDTHSSYGLWJETA-QWHCGFSZSA-N 1 2 356.426 3.424 20 5 FGBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[nH+]1 ZINC000480504978 502586642 /nfs/dbraw/zinc/58/66/42/502586642.db2.gz CQZDJDNMTAEKRY-UHFFFAOYSA-N 1 2 364.405 3.349 20 5 FGBDLO Cn1cc([C@H]2C[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCO2)cn1 ZINC000599108175 506324787 /nfs/dbraw/zinc/32/47/87/506324787.db2.gz NMSZJBNGZXFUBK-WMLDXEAASA-N 1 2 353.382 3.209 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000462933467 502631451 /nfs/dbraw/zinc/63/14/51/502631451.db2.gz SOSMZKHOPAGZEH-INIZCTEOSA-N 1 2 366.421 3.436 20 5 FGBDLO COCC[C@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000466847371 502701890 /nfs/dbraw/zinc/70/18/90/502701890.db2.gz FRRUSLQJCBNKMW-OAHLLOKOSA-N 1 2 372.425 3.059 20 5 FGBDLO COC(=O)Cc1cc[nH+]c(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000596253747 506329677 /nfs/dbraw/zinc/32/96/77/506329677.db2.gz DIEFAQGORGZZCB-INIZCTEOSA-N 1 2 355.394 3.089 20 5 FGBDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484846458 502753171 /nfs/dbraw/zinc/75/31/71/502753171.db2.gz QNJRIXJRWPRZHF-UHFFFAOYSA-N 1 2 352.306 3.135 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488966695 502849782 /nfs/dbraw/zinc/84/97/82/502849782.db2.gz AJWODGIZWMOSJF-OAHLLOKOSA-N 1 2 361.373 3.181 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488966695 502849784 /nfs/dbraw/zinc/84/97/84/502849784.db2.gz AJWODGIZWMOSJF-OAHLLOKOSA-N 1 2 361.373 3.181 20 5 FGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505484508 502914171 /nfs/dbraw/zinc/91/41/71/502914171.db2.gz RVMNQMLLTMIIKN-HNNXBMFYSA-N 1 2 363.776 3.174 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2n[nH]cc2c1 ZINC000513411739 502930861 /nfs/dbraw/zinc/93/08/61/502930861.db2.gz QJIUEGLTZRSPDK-NSHDSACASA-N 1 2 364.365 3.372 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000509753927 502980343 /nfs/dbraw/zinc/98/03/43/502980343.db2.gz BCURMAAKBCIILY-UHFFFAOYSA-N 1 2 368.437 3.463 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513666540 502994924 /nfs/dbraw/zinc/99/49/24/502994924.db2.gz MSPINNZBOKDOKR-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000514080982 503082220 /nfs/dbraw/zinc/08/22/20/503082220.db2.gz AAQUYCXRFNTBED-GOSISDBHSA-N 1 2 352.394 3.216 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361501 503101337 /nfs/dbraw/zinc/10/13/37/503101337.db2.gz IBQKLXZRNRYJFW-UHFFFAOYSA-N 1 2 370.409 3.006 20 5 FGBDLO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000510513688 503129262 /nfs/dbraw/zinc/12/92/62/503129262.db2.gz SPBICXJZCWVFFM-UGSOOPFHSA-N 1 2 357.410 3.030 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502067899 503137879 /nfs/dbraw/zinc/13/78/79/503137879.db2.gz VGIXRDNENDFWES-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502067899 503137881 /nfs/dbraw/zinc/13/78/81/503137881.db2.gz VGIXRDNENDFWES-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304702 503154228 /nfs/dbraw/zinc/15/42/28/503154228.db2.gz RHHREQTZEUQQDE-AFAVFJNCSA-N 1 2 354.834 3.264 20 5 FGBDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304702 503154230 /nfs/dbraw/zinc/15/42/30/503154230.db2.gz RHHREQTZEUQQDE-AFAVFJNCSA-N 1 2 354.834 3.264 20 5 FGBDLO CCc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)s1 ZINC000490360470 503161609 /nfs/dbraw/zinc/16/16/09/503161609.db2.gz CTIYMSXBZNQMTJ-UHFFFAOYSA-N 1 2 350.419 3.075 20 5 FGBDLO CCc1cc(NCCCOCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000510850283 503204495 /nfs/dbraw/zinc/20/44/95/503204495.db2.gz JCEPIPNZLBNTAH-UHFFFAOYSA-N 1 2 356.426 3.265 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000490824808 503232502 /nfs/dbraw/zinc/23/25/02/503232502.db2.gz IOLPAWMVCRROJI-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000490824808 503232506 /nfs/dbraw/zinc/23/25/06/503232506.db2.gz IOLPAWMVCRROJI-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515065274 503263516 /nfs/dbraw/zinc/26/35/16/503263516.db2.gz BVCUDNRCCAQXNF-UHFFFAOYSA-N 1 2 367.203 3.054 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(c2ccco2)CC1 ZINC000596333219 506361163 /nfs/dbraw/zinc/36/11/63/506361163.db2.gz GJYYDXINFQRPMP-UHFFFAOYSA-N 1 2 371.437 3.404 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(F)c1 ZINC000491229449 503288220 /nfs/dbraw/zinc/28/82/20/503288220.db2.gz VNJILDRXSSEBEX-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491230099 503288734 /nfs/dbraw/zinc/28/87/34/503288734.db2.gz WYZGENJOSHGGBP-UHFFFAOYSA-N 1 2 366.364 3.400 20 5 FGBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491230099 503288736 /nfs/dbraw/zinc/28/87/36/503288736.db2.gz WYZGENJOSHGGBP-UHFFFAOYSA-N 1 2 366.364 3.400 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000511521366 503336469 /nfs/dbraw/zinc/33/64/69/503336469.db2.gz OQKMICYKVTZJJB-VMPITWQZSA-N 1 2 365.433 3.374 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062651 506368706 /nfs/dbraw/zinc/36/87/06/506368706.db2.gz QJSPDPGVZAFGNT-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062651 506368713 /nfs/dbraw/zinc/36/87/13/506368713.db2.gz QJSPDPGVZAFGNT-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3cccc(Cl)c3F)nc2c1 ZINC000499942222 503517001 /nfs/dbraw/zinc/51/70/01/503517001.db2.gz FUYNDBYSHUODBC-ZDUSSCGKSA-N 1 2 365.748 3.352 20 5 FGBDLO COc1cc(F)c(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516822992 503594083 /nfs/dbraw/zinc/59/40/83/503594083.db2.gz KHVPBRGYWPTTAB-UHFFFAOYSA-N 1 2 374.303 3.320 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000512683661 503611557 /nfs/dbraw/zinc/61/15/57/503611557.db2.gz VRWQNCSEBPRFJX-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000512683661 503611560 /nfs/dbraw/zinc/61/15/60/503611560.db2.gz VRWQNCSEBPRFJX-KRWDZBQOSA-N 1 2 370.405 3.266 20 5 FGBDLO CCc1cnc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000536672076 503670569 /nfs/dbraw/zinc/67/05/69/503670569.db2.gz GWNOJJWLKDSEOS-FNORWQNLSA-N 1 2 358.467 3.449 20 5 FGBDLO COc1ccc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH]c2n1 ZINC000546228703 503680323 /nfs/dbraw/zinc/68/03/23/503680323.db2.gz SDVIKYAWLIPHFQ-UHFFFAOYSA-N 1 2 353.382 3.039 20 5 FGBDLO COc1ccc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH]c2n1 ZINC000546228703 503680326 /nfs/dbraw/zinc/68/03/26/503680326.db2.gz SDVIKYAWLIPHFQ-UHFFFAOYSA-N 1 2 353.382 3.039 20 5 FGBDLO C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000540346190 503745067 /nfs/dbraw/zinc/74/50/67/503745067.db2.gz OGEJFYNBIPBOLJ-CQSZACIVSA-N 1 2 365.393 3.341 20 5 FGBDLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000546502597 503770760 /nfs/dbraw/zinc/77/07/60/503770760.db2.gz XDRFYVJHVASJGR-MRXNPFEDSA-N 1 2 372.425 3.478 20 5 FGBDLO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000546502597 503770764 /nfs/dbraw/zinc/77/07/64/503770764.db2.gz XDRFYVJHVASJGR-MRXNPFEDSA-N 1 2 372.425 3.478 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533095 503779454 /nfs/dbraw/zinc/77/94/54/503779454.db2.gz LILRLKOCPDHCSS-ABAIWWIYSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533095 503779458 /nfs/dbraw/zinc/77/94/58/503779458.db2.gz LILRLKOCPDHCSS-ABAIWWIYSA-N 1 2 364.377 3.050 20 5 FGBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(F)cccc1F ZINC000537029638 503781745 /nfs/dbraw/zinc/78/17/45/503781745.db2.gz GAFJLCWQGWBIJL-NSHDSACASA-N 1 2 361.348 3.113 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533393355 503829266 /nfs/dbraw/zinc/82/92/66/503829266.db2.gz WLOAMNPJEXOPDC-LBPRGKRZSA-N 1 2 366.377 3.470 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533393355 503829273 /nfs/dbraw/zinc/82/92/73/503829273.db2.gz WLOAMNPJEXOPDC-LBPRGKRZSA-N 1 2 366.377 3.470 20 5 FGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000543790626 503895103 /nfs/dbraw/zinc/89/51/03/503895103.db2.gz VGGOOQQSIHLRNX-SFHVURJKSA-N 1 2 370.453 3.400 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000544405918 504121144 /nfs/dbraw/zinc/12/11/44/504121144.db2.gz VZXTUKUFPCHEJJ-MRXNPFEDSA-N 1 2 373.384 3.433 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000544405918 504121149 /nfs/dbraw/zinc/12/11/49/504121149.db2.gz VZXTUKUFPCHEJJ-MRXNPFEDSA-N 1 2 373.384 3.433 20 5 FGBDLO Cc1cccn2cc(CC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)[nH+]c12 ZINC000519042881 504126478 /nfs/dbraw/zinc/12/64/78/504126478.db2.gz QECPEYRUOFAZNK-CYBMUJFWSA-N 1 2 350.378 3.071 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000538277025 504184662 /nfs/dbraw/zinc/18/46/62/504184662.db2.gz NUODASOUGCEPQT-KRWDZBQOSA-N 1 2 362.357 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cn1 ZINC000547738115 504205116 /nfs/dbraw/zinc/20/51/16/504205116.db2.gz OHWCRPKSCPMGRH-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2n1C ZINC000531199145 504224422 /nfs/dbraw/zinc/22/44/22/504224422.db2.gz JJAXCYKNOIYUKS-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000547804994 504232073 /nfs/dbraw/zinc/23/20/73/504232073.db2.gz LNEDYIVFNRYLSF-UHFFFAOYSA-N 1 2 362.455 3.049 20 5 FGBDLO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000538614368 504304244 /nfs/dbraw/zinc/30/42/44/504304244.db2.gz OHNGXBVDHYPQTL-XFFZJAGNSA-N 1 2 354.406 3.326 20 5 FGBDLO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000538614368 504304247 /nfs/dbraw/zinc/30/42/47/504304247.db2.gz OHNGXBVDHYPQTL-XFFZJAGNSA-N 1 2 354.406 3.326 20 5 FGBDLO O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)nc1 ZINC000545079896 504351230 /nfs/dbraw/zinc/35/12/30/504351230.db2.gz GQOWCBNMZTWMAI-BAQGIRSFSA-N 1 2 374.360 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)cn1 ZINC000548257012 504375722 /nfs/dbraw/zinc/37/57/22/504375722.db2.gz QUNJKIPEJAFKMG-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548695836 504531516 /nfs/dbraw/zinc/53/15/16/504531516.db2.gz LSPQOFZYZLMZPS-UHFFFAOYSA-N 1 2 360.417 3.088 20 5 FGBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000542847946 504633749 /nfs/dbraw/zinc/63/37/49/504633749.db2.gz XWYKKJBBOGXTPY-NSHDSACASA-N 1 2 366.324 3.287 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000545958080 504655052 /nfs/dbraw/zinc/65/50/52/504655052.db2.gz BDVWWMWMVDLEII-UHFFFAOYSA-N 1 2 354.366 3.290 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc(Cl)cc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000536427823 504731301 /nfs/dbraw/zinc/73/13/01/504731301.db2.gz WBNYWTSBFNXDJA-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc(Cl)cc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000536427823 504731305 /nfs/dbraw/zinc/73/13/05/504731305.db2.gz WBNYWTSBFNXDJA-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000536429756 504732157 /nfs/dbraw/zinc/73/21/57/504732157.db2.gz LTQUUBVFVSTUPV-UHFFFAOYSA-N 1 2 374.416 3.238 20 5 FGBDLO CC[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000546169433 504733295 /nfs/dbraw/zinc/73/32/95/504733295.db2.gz UIRNXXATYMQFST-LLVKDONJSA-N 1 2 356.304 3.241 20 5 FGBDLO Cc1cc(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000552925187 504789001 /nfs/dbraw/zinc/78/90/01/504789001.db2.gz ACRKRMHPWFFDSQ-UHFFFAOYSA-N 1 2 359.405 3.282 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000559185859 504798393 /nfs/dbraw/zinc/79/83/93/504798393.db2.gz IBFIILOODMGTDA-INIZCTEOSA-N 1 2 371.441 3.285 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000553249667 504864341 /nfs/dbraw/zinc/86/43/41/504864341.db2.gz SVGOZUHTEPGVMT-UHFFFAOYSA-N 1 2 372.400 3.249 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559503538 504877560 /nfs/dbraw/zinc/87/75/60/504877560.db2.gz WVZSRXUKBISVNQ-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559503538 504877564 /nfs/dbraw/zinc/87/75/64/504877564.db2.gz WVZSRXUKBISVNQ-OAHLLOKOSA-N 1 2 365.433 3.321 20 5 FGBDLO CCc1cc(NC[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553308621 504879103 /nfs/dbraw/zinc/87/91/03/504879103.db2.gz HMRKJMDKNZQGBS-UKRRQHHQSA-N 1 2 356.426 3.121 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549998528 504948910 /nfs/dbraw/zinc/94/89/10/504948910.db2.gz FPEUXMMZHQMIHK-HOCLYGCPSA-N 1 2 374.359 3.384 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000549998528 504948912 /nfs/dbraw/zinc/94/89/12/504948912.db2.gz FPEUXMMZHQMIHK-HOCLYGCPSA-N 1 2 374.359 3.384 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000556872896 505002205 /nfs/dbraw/zinc/00/22/05/505002205.db2.gz SHGONXOUFDHSMR-KRWDZBQOSA-N 1 2 358.348 3.486 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000553908082 505039407 /nfs/dbraw/zinc/03/94/07/505039407.db2.gz UCKWXMSJQWWZCX-CXAGYDPISA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000553908082 505039410 /nfs/dbraw/zinc/03/94/10/505039410.db2.gz UCKWXMSJQWWZCX-CXAGYDPISA-N 1 2 354.410 3.320 20 5 FGBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000560994096 505225238 /nfs/dbraw/zinc/22/52/38/505225238.db2.gz ZXRNTWUFCSUKCM-UHFFFAOYSA-N 1 2 350.378 3.095 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000561315405 505313043 /nfs/dbraw/zinc/31/30/43/505313043.db2.gz ZIQWVEDLOLYQHS-SFHVURJKSA-N 1 2 368.441 3.060 20 5 FGBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000552022788 505373137 /nfs/dbraw/zinc/37/31/37/505373137.db2.gz MMKYAQMDXBYHHQ-UHFFFAOYSA-N 1 2 374.466 3.123 20 5 FGBDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000558578780 505429026 /nfs/dbraw/zinc/42/90/26/505429026.db2.gz NUDJETMFHWXOGB-UHFFFAOYSA-N 1 2 368.418 3.410 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000555421660 505429776 /nfs/dbraw/zinc/42/97/76/505429776.db2.gz DMBILAMAODAMFI-UHFFFAOYSA-N 1 2 360.435 3.426 20 5 FGBDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000558733650 505477338 /nfs/dbraw/zinc/47/73/38/505477338.db2.gz CNXPWZYQUFEOEL-UHFFFAOYSA-N 1 2 367.405 3.256 20 5 FGBDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000558733650 505477341 /nfs/dbraw/zinc/47/73/41/505477341.db2.gz CNXPWZYQUFEOEL-UHFFFAOYSA-N 1 2 367.405 3.256 20 5 FGBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccncc1 ZINC000596590197 506476354 /nfs/dbraw/zinc/47/63/54/506476354.db2.gz CSHKHRDYVBSRRA-MSOLQXFVSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccncc1 ZINC000596590197 506476358 /nfs/dbraw/zinc/47/63/58/506476358.db2.gz CSHKHRDYVBSRRA-MSOLQXFVSA-N 1 2 366.421 3.178 20 5 FGBDLO CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593226968 506479187 /nfs/dbraw/zinc/47/91/87/506479187.db2.gz OPQGOUFQSJPARI-CZUORRHYSA-N 1 2 360.439 3.185 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585408 506513278 /nfs/dbraw/zinc/51/32/78/506513278.db2.gz YSTJHUBKBKFBKW-WFASDCNBSA-N 1 2 350.415 3.100 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585408 506513281 /nfs/dbraw/zinc/51/32/81/506513281.db2.gz YSTJHUBKBKFBKW-WFASDCNBSA-N 1 2 350.415 3.100 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599634996 506542534 /nfs/dbraw/zinc/54/25/34/506542534.db2.gz IOQPDGPDVKZSRD-VXMWWYGOSA-N 1 2 362.373 3.099 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599634996 506542540 /nfs/dbraw/zinc/54/25/40/506542540.db2.gz IOQPDGPDVKZSRD-VXMWWYGOSA-N 1 2 362.373 3.099 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000589495163 506568605 /nfs/dbraw/zinc/56/86/05/506568605.db2.gz XTXPZWXQHKHRGI-UHFFFAOYSA-N 1 2 350.321 3.292 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000589495163 506568610 /nfs/dbraw/zinc/56/86/10/506568610.db2.gz XTXPZWXQHKHRGI-UHFFFAOYSA-N 1 2 350.321 3.292 20 5 FGBDLO Cc1cc(Br)cn2cc(CNc3ccc([N+](=O)[O-])nc3)[nH+]c12 ZINC000612663999 506680236 /nfs/dbraw/zinc/68/02/36/506680236.db2.gz YNRZDPAVMJYJTF-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000604012612 506685862 /nfs/dbraw/zinc/68/58/62/506685862.db2.gz WHRWGSVQIZYRMM-UHFFFAOYSA-N 1 2 361.467 3.243 20 5 FGBDLO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593646020 506712697 /nfs/dbraw/zinc/71/26/97/506712697.db2.gz QTSSMRBLMRWPAD-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593646020 506712706 /nfs/dbraw/zinc/71/27/06/506712706.db2.gz QTSSMRBLMRWPAD-HXUWFJFHSA-N 1 2 365.433 3.109 20 5 FGBDLO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2COC[C@H]2O1 ZINC000593698085 506738086 /nfs/dbraw/zinc/73/80/86/506738086.db2.gz OVSHUBGTJHBDHB-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2COC[C@H]2O1 ZINC000593698085 506738090 /nfs/dbraw/zinc/73/80/90/506738090.db2.gz OVSHUBGTJHBDHB-SJLPKXTDSA-N 1 2 358.394 3.233 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132697 506786531 /nfs/dbraw/zinc/78/65/31/506786531.db2.gz CFISXVVOSVFEML-LBPRGKRZSA-N 1 2 351.204 3.395 20 5 FGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000604395789 506819073 /nfs/dbraw/zinc/81/90/73/506819073.db2.gz BGBISORMHOODAX-CYBMUJFWSA-N 1 2 368.368 3.453 20 5 FGBDLO Cc1cc(NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000583512448 506820691 /nfs/dbraw/zinc/82/06/91/506820691.db2.gz LJHWCMBAYZQIHK-UHFFFAOYSA-N 1 2 374.407 3.362 20 5 FGBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000604413056 506824036 /nfs/dbraw/zinc/82/40/36/506824036.db2.gz RYAMMZULYRIVHD-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000604413056 506824041 /nfs/dbraw/zinc/82/40/41/506824041.db2.gz RYAMMZULYRIVHD-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)C1(F)F ZINC000600185764 506828516 /nfs/dbraw/zinc/82/85/16/506828516.db2.gz LZLIIVXYZMKVLU-RYUDHWBXSA-N 1 2 364.352 3.144 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597221820 506843241 /nfs/dbraw/zinc/84/32/41/506843241.db2.gz UCWTTWBFMJODGT-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597221820 506843248 /nfs/dbraw/zinc/84/32/48/506843248.db2.gz UCWTTWBFMJODGT-LJQANCHMSA-N 1 2 374.393 3.009 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000609442166 506881370 /nfs/dbraw/zinc/88/13/70/506881370.db2.gz ZNPFDUSGHOFDFN-QPJJXVBHSA-N 1 2 369.396 3.205 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc(C(F)(F)F)n1)OCCO2 ZINC000590655512 506898034 /nfs/dbraw/zinc/89/80/34/506898034.db2.gz DOXCVVZMWTXKBR-UHFFFAOYSA-N 1 2 369.299 3.070 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609876000 507034099 /nfs/dbraw/zinc/03/40/99/507034099.db2.gz LWRFOBMJZXJDOV-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([C@H](O)C(F)(F)F)CC3)c2c1 ZINC000591150761 507133704 /nfs/dbraw/zinc/13/37/04/507133704.db2.gz GWGXYHZQLKBZDD-AWEZNQCLSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1c[nH+]c(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c(C)c1 ZINC000594596157 507200529 /nfs/dbraw/zinc/20/05/29/507200529.db2.gz NXBWLASHVWBLON-UHFFFAOYSA-N 1 2 356.426 3.399 20 5 FGBDLO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610347970 507205039 /nfs/dbraw/zinc/20/50/39/507205039.db2.gz DDVWGXXHSRAXJH-QGZVFWFLSA-N 1 2 369.421 3.257 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000600998131 507220323 /nfs/dbraw/zinc/22/03/23/507220323.db2.gz DYWBCEQREBYLMC-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO C[C@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420579 507233295 /nfs/dbraw/zinc/23/32/95/507233295.db2.gz ZLDFJSQSPRFGQV-LAUBAEHRSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420579 507233299 /nfs/dbraw/zinc/23/32/99/507233299.db2.gz ZLDFJSQSPRFGQV-LAUBAEHRSA-N 1 2 369.465 3.273 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601225583 507301900 /nfs/dbraw/zinc/30/19/00/507301900.db2.gz GYBDORZURBDYCY-UHFFFAOYSA-N 1 2 356.426 3.185 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1NCc1cc[nH+]c(N3CCSCC3)c1)CCN2 ZINC000601241058 507308712 /nfs/dbraw/zinc/30/87/12/507308712.db2.gz WDDFHJLIIBNYNL-UHFFFAOYSA-N 1 2 371.466 3.123 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1OCC(F)F ZINC000595035167 507361424 /nfs/dbraw/zinc/36/14/24/507361424.db2.gz HCYDNYQGRQLCJD-NSHDSACASA-N 1 2 367.352 3.493 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610910635 507439390 /nfs/dbraw/zinc/43/93/90/507439390.db2.gz HTQJBTXJKOHYLC-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289769 507448058 /nfs/dbraw/zinc/44/80/58/507448058.db2.gz RWONRKAGDSVDLP-UHFFFAOYSA-N 1 2 363.364 3.011 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289769 507448067 /nfs/dbraw/zinc/44/80/67/507448067.db2.gz RWONRKAGDSVDLP-UHFFFAOYSA-N 1 2 363.364 3.011 20 5 FGBDLO CSc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000595375919 507475538 /nfs/dbraw/zinc/47/55/38/507475538.db2.gz FIZIBERUHHYIOA-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCCC2)O1 ZINC000592187209 507529259 /nfs/dbraw/zinc/52/92/59/507529259.db2.gz IFJLPCMKIOJADY-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCCC2)O1 ZINC000592187209 507529268 /nfs/dbraw/zinc/52/92/68/507529268.db2.gz IFJLPCMKIOJADY-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192745 507533665 /nfs/dbraw/zinc/53/36/65/507533665.db2.gz KFJNRDROYBNTDW-UKRRQHHQSA-N 1 2 361.442 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192745 507533669 /nfs/dbraw/zinc/53/36/69/507533669.db2.gz KFJNRDROYBNTDW-UKRRQHHQSA-N 1 2 361.442 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192743 507534387 /nfs/dbraw/zinc/53/43/87/507534387.db2.gz KFJNRDROYBNTDW-DZGCQCFKSA-N 1 2 361.442 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192743 507534394 /nfs/dbraw/zinc/53/43/94/507534394.db2.gz KFJNRDROYBNTDW-DZGCQCFKSA-N 1 2 361.442 3.264 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC000611196054 507556935 /nfs/dbraw/zinc/55/69/35/507556935.db2.gz ZUVFFPBQZATJJU-UHFFFAOYSA-N 1 2 367.409 3.132 20 5 FGBDLO COC(=O)C[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595667220 507619622 /nfs/dbraw/zinc/61/96/22/507619622.db2.gz DDDCUOMHHMBFJF-UHFFFAOYSA-N 1 2 354.378 3.050 20 5 FGBDLO COC(=O)C[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595667220 507619627 /nfs/dbraw/zinc/61/96/27/507619627.db2.gz DDDCUOMHHMBFJF-UHFFFAOYSA-N 1 2 354.378 3.050 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000602475775 507719976 /nfs/dbraw/zinc/71/99/76/507719976.db2.gz ZJDZXGXAPHWROI-NSHDSACASA-N 1 2 358.238 3.113 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000602475775 507719983 /nfs/dbraw/zinc/71/99/83/507719983.db2.gz ZJDZXGXAPHWROI-NSHDSACASA-N 1 2 358.238 3.113 20 5 FGBDLO COc1cc2c(cc1C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)O[C@@H](C)C2 ZINC000602508340 507731972 /nfs/dbraw/zinc/73/19/72/507731972.db2.gz BEORNDFKKNWAJQ-NSHDSACASA-N 1 2 369.377 3.358 20 5 FGBDLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000736482345 598758322 /nfs/dbraw/zinc/75/83/22/598758322.db2.gz ZTFYKXLOWHOMKL-UHFFFAOYSA-N 1 2 370.388 3.326 20 5 FGBDLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000736482345 598758324 /nfs/dbraw/zinc/75/83/24/598758324.db2.gz ZTFYKXLOWHOMKL-UHFFFAOYSA-N 1 2 370.388 3.326 20 5 FGBDLO CN(C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000076017291 700221960 /nfs/dbraw/zinc/22/19/60/700221960.db2.gz PZZSUYWQVQQIPS-CYBMUJFWSA-N 1 2 355.460 3.488 20 5 FGBDLO CN(C[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000076017291 700221964 /nfs/dbraw/zinc/22/19/64/700221964.db2.gz PZZSUYWQVQQIPS-CYBMUJFWSA-N 1 2 355.460 3.488 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)c(C(F)(F)F)c1 ZINC000093015327 700446208 /nfs/dbraw/zinc/44/62/08/700446208.db2.gz HTKMZSORFMSKBS-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1F ZINC000192586763 712867446 /nfs/dbraw/zinc/86/74/46/712867446.db2.gz VYAPZDFCRVKCGH-AWEZNQCLSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccccc1F ZINC000192586763 712867448 /nfs/dbraw/zinc/86/74/48/712867448.db2.gz VYAPZDFCRVKCGH-AWEZNQCLSA-N 1 2 368.792 3.259 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000523725300 714249265 /nfs/dbraw/zinc/24/92/65/714249265.db2.gz AUVGAKALQQTFKY-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000780764057 724499307 /nfs/dbraw/zinc/49/93/07/724499307.db2.gz VZOMZPWOCUSNHC-GFCCVEGCSA-N 1 2 360.361 3.260 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000742401641 722556905 /nfs/dbraw/zinc/55/69/05/722556905.db2.gz WUJMSLXXLZCXOJ-LBPRGKRZSA-N 1 2 351.204 3.395 20 5 FGBDLO CC[N@@H+](Cc1ccc(C)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746026286 722592511 /nfs/dbraw/zinc/59/25/11/722592511.db2.gz DXGPULLTKFCGAL-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO CC[N@H+](Cc1ccc(C)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746026286 722592512 /nfs/dbraw/zinc/59/25/12/722592512.db2.gz DXGPULLTKFCGAL-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584568 723260930 /nfs/dbraw/zinc/26/09/30/723260930.db2.gz UDJAVYNMVPLJKI-SCZZXKLOSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791584568 723260935 /nfs/dbraw/zinc/26/09/35/723260935.db2.gz UDJAVYNMVPLJKI-SCZZXKLOSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891170 723378035 /nfs/dbraw/zinc/37/80/35/723378035.db2.gz DWDFCIWTUAMWPJ-QWRGUYRKSA-N 1 2 355.232 3.283 20 5 FGBDLO C[C@H]1CC[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891170 723378040 /nfs/dbraw/zinc/37/80/40/723378040.db2.gz DWDFCIWTUAMWPJ-QWRGUYRKSA-N 1 2 355.232 3.283 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000796627510 723647309 /nfs/dbraw/zinc/64/73/09/723647309.db2.gz TXRUCIBWIBCWJK-MRVPVSSYSA-N 1 2 370.743 3.211 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796708700 723651406 /nfs/dbraw/zinc/65/14/06/723651406.db2.gz RSCFIQBDJNHJOZ-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000796708700 723651408 /nfs/dbraw/zinc/65/14/08/723651408.db2.gz RSCFIQBDJNHJOZ-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)n1 ZINC000785867599 724943648 /nfs/dbraw/zinc/94/36/48/724943648.db2.gz YAYOBDJUIOEYOU-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO O=C1CC2(CN1)CC[NH+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000809951727 725278128 /nfs/dbraw/zinc/27/81/28/725278128.db2.gz NPYXVWJNKKMUSR-UHFFFAOYSA-N 1 2 358.225 3.004 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1Cl ZINC000813172896 726846106 /nfs/dbraw/zinc/84/61/06/726846106.db2.gz SGKBFQLPFDDXEH-ZDUSSCGKSA-N 1 2 350.758 3.273 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1Cl ZINC000813172896 726846114 /nfs/dbraw/zinc/84/61/14/726846114.db2.gz SGKBFQLPFDDXEH-ZDUSSCGKSA-N 1 2 350.758 3.273 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000825866783 729397838 /nfs/dbraw/zinc/39/78/38/729397838.db2.gz HGIVAZQZVPOXII-UHFFFAOYSA-N 1 2 352.341 3.192 20 5 FGBDLO COCC[N@H+](CCF)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000827053656 729422755 /nfs/dbraw/zinc/42/27/55/729422755.db2.gz DUFJSZDWRANRIC-UHFFFAOYSA-N 1 2 352.362 3.281 20 5 FGBDLO COCC[N@@H+](CCF)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000827053656 729422756 /nfs/dbraw/zinc/42/27/56/729422756.db2.gz DUFJSZDWRANRIC-UHFFFAOYSA-N 1 2 352.362 3.281 20 5 FGBDLO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000834814189 729836169 /nfs/dbraw/zinc/83/61/69/729836169.db2.gz GDUQVWPJBKGSTR-MEDUHNTESA-N 1 2 364.398 3.303 20 5 FGBDLO O=C(OCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835173866 729865048 /nfs/dbraw/zinc/86/50/48/729865048.db2.gz DKYKMIHKOMQHGJ-UHFFFAOYSA-N 1 2 355.272 3.280 20 5 FGBDLO C[C@@]1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000844803586 730769440 /nfs/dbraw/zinc/76/94/40/730769440.db2.gz RVWAQGKVPPGUKA-CVEARBPZSA-N 1 2 366.780 3.215 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511963 731716081 /nfs/dbraw/zinc/71/60/81/731716081.db2.gz WMZRRASBKBPGDP-WDEREUQCSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511963 731716083 /nfs/dbraw/zinc/71/60/83/731716083.db2.gz WMZRRASBKBPGDP-WDEREUQCSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670459 732992840 /nfs/dbraw/zinc/99/28/40/732992840.db2.gz NECIFXQJWZVGGN-IINYFYTJSA-N 1 2 360.395 3.311 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000872804193 735679432 /nfs/dbraw/zinc/67/94/32/735679432.db2.gz IPGBGMNXYRZPFW-CQSZACIVSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000872804193 735679433 /nfs/dbraw/zinc/67/94/33/735679433.db2.gz IPGBGMNXYRZPFW-CQSZACIVSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000880003252 737096410 /nfs/dbraw/zinc/09/64/10/737096410.db2.gz CKNBZQVACWHNDY-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000880003252 737096413 /nfs/dbraw/zinc/09/64/13/737096413.db2.gz CKNBZQVACWHNDY-CQSZACIVSA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])nn1C ZINC000883295903 737548499 /nfs/dbraw/zinc/54/84/99/737548499.db2.gz XEDQWJAPBFSCBF-SNVBAGLBSA-N 1 2 353.220 3.250 20 5 FGBDLO Cn1nc2c(c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CSCC2 ZINC000893946334 742217419 /nfs/dbraw/zinc/21/74/19/742217419.db2.gz XJUNEDMBCUBVIY-UHFFFAOYSA-N 1 2 358.467 3.282 20 5 FGBDLO Cn1nc2c(c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CSCC2 ZINC000893946334 742217421 /nfs/dbraw/zinc/21/74/21/742217421.db2.gz XJUNEDMBCUBVIY-UHFFFAOYSA-N 1 2 358.467 3.282 20 5 FGBDLO COC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000894528122 742295890 /nfs/dbraw/zinc/29/58/90/742295890.db2.gz RTVUQVHNXPRZPB-AWEZNQCLSA-N 1 2 366.801 3.440 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1cccc(Br)c1[N+](=O)[O-])C2 ZINC000896654037 742577893 /nfs/dbraw/zinc/57/78/93/742577893.db2.gz ICLQNLNNKZAWNZ-UHFFFAOYSA-N 1 2 351.204 3.136 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cnn(CCF)c3)cs2)c1 ZINC000897737383 742708904 /nfs/dbraw/zinc/70/89/04/742708904.db2.gz LXGLZMMPZDIUGC-UHFFFAOYSA-N 1 2 361.402 3.174 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)o2)c(Cl)c1 ZINC000898192997 742755624 /nfs/dbraw/zinc/75/56/24/742755624.db2.gz NIBYFCUCSXZABO-LSDHHAIUSA-N 1 2 354.765 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)o2)c(Cl)c1 ZINC000898192997 742755627 /nfs/dbraw/zinc/75/56/27/742755627.db2.gz NIBYFCUCSXZABO-LSDHHAIUSA-N 1 2 354.765 3.413 20 5 FGBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563525 743129638 /nfs/dbraw/zinc/12/96/38/743129638.db2.gz UVYIYIFZUDIOSO-NSHDSACASA-N 1 2 352.753 3.061 20 5 FGBDLO CC(C)C[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000913386265 757506881 /nfs/dbraw/zinc/50/68/81/757506881.db2.gz SBTMRGZHGFFJNO-CQSZACIVSA-N 1 2 368.796 3.487 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000930525744 760632646 /nfs/dbraw/zinc/63/26/46/760632646.db2.gz JPNRPYLSWQXZIL-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000930525744 760632655 /nfs/dbraw/zinc/63/26/55/760632655.db2.gz JPNRPYLSWQXZIL-CQSZACIVSA-N 1 2 365.231 3.309 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c(Cl)c1 ZINC000932827445 761256383 /nfs/dbraw/zinc/25/63/83/761256383.db2.gz DXPWHWQHOACIIG-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000933168615 761331818 /nfs/dbraw/zinc/33/18/18/761331818.db2.gz XJZPQRXYQQIQTC-GHMZBOCLSA-N 1 2 371.231 3.131 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000933168615 761331829 /nfs/dbraw/zinc/33/18/29/761331829.db2.gz XJZPQRXYQQIQTC-GHMZBOCLSA-N 1 2 371.231 3.131 20 5 FGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000071950597 132303105 /nfs/dbraw/zinc/30/31/05/132303105.db2.gz GZOIONICKOKLPI-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000533800153 503954361 /nfs/dbraw/zinc/95/43/61/503954361.db2.gz CZERSBFVZBIAOP-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000533800153 503954363 /nfs/dbraw/zinc/95/43/63/503954363.db2.gz CZERSBFVZBIAOP-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CCO)c1ccccc1 ZINC000075900000 493794722 /nfs/dbraw/zinc/79/47/22/493794722.db2.gz KRHZJIKCXSORDY-QGZVFWFLSA-N 1 2 368.393 3.200 20 5 FGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CCO)c1ccccc1 ZINC000075900000 493794728 /nfs/dbraw/zinc/79/47/28/493794728.db2.gz KRHZJIKCXSORDY-QGZVFWFLSA-N 1 2 368.393 3.200 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(C(F)(F)F)CC3)n2)c1 ZINC000075997792 493807259 /nfs/dbraw/zinc/80/72/59/493807259.db2.gz ITEDYCQWTOINGO-UHFFFAOYSA-N 1 2 356.304 3.419 20 5 FGBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058809762 493886918 /nfs/dbraw/zinc/88/69/18/493886918.db2.gz IMUWZIOAOVTDBO-SFHVURJKSA-N 1 2 371.462 3.001 20 5 FGBDLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000060046665 493913029 /nfs/dbraw/zinc/91/30/29/493913029.db2.gz GZCLVVBGEIZCSV-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000051324158 493962317 /nfs/dbraw/zinc/96/23/17/493962317.db2.gz GNHVCQKQPAGQKW-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000051324158 493962323 /nfs/dbraw/zinc/96/23/23/493962323.db2.gz GNHVCQKQPAGQKW-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032042237 493971883 /nfs/dbraw/zinc/97/18/83/493971883.db2.gz OVICRDQLMONAJC-AWEZNQCLSA-N 1 2 350.378 3.314 20 5 FGBDLO Cc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000051824021 493989878 /nfs/dbraw/zinc/98/98/78/493989878.db2.gz VJENAIRPLGYWOI-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000063605552 494069404 /nfs/dbraw/zinc/06/94/04/494069404.db2.gz OACLVXPUVJNOAJ-IBGZPJMESA-N 1 2 371.437 3.303 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320622 494083490 /nfs/dbraw/zinc/08/34/90/494083490.db2.gz VMJHFQLKVYHMKF-CQSZACIVSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320622 494083495 /nfs/dbraw/zinc/08/34/95/494083495.db2.gz VMJHFQLKVYHMKF-CQSZACIVSA-N 1 2 361.423 3.441 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1ccccc1)C1CC1 ZINC000088605981 494252939 /nfs/dbraw/zinc/25/29/39/494252939.db2.gz KSUWRICLPQMORL-NRFANRHFSA-N 1 2 365.433 3.220 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1ccccc1)C1CC1 ZINC000088605981 494252944 /nfs/dbraw/zinc/25/29/44/494252944.db2.gz KSUWRICLPQMORL-NRFANRHFSA-N 1 2 365.433 3.220 20 5 FGBDLO CN(c1ccccc1)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000065957250 494261385 /nfs/dbraw/zinc/26/13/85/494261385.db2.gz ASTPZXNIOWNWFG-UHFFFAOYSA-N 1 2 368.437 3.134 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000014401807 494317962 /nfs/dbraw/zinc/31/79/62/494317962.db2.gz WWLZAXGEXUMFJD-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000089513310 494319065 /nfs/dbraw/zinc/31/90/65/494319065.db2.gz MMDLZENPLPFQST-LBPRGKRZSA-N 1 2 355.373 3.474 20 5 FGBDLO CN(CCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045177792 494403941 /nfs/dbraw/zinc/40/39/41/494403941.db2.gz YOWAWIDFIHVOOX-UHFFFAOYSA-N 1 2 350.378 3.095 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968375 494416651 /nfs/dbraw/zinc/41/66/51/494416651.db2.gz CBKKAVWXLIAJRI-UHFFFAOYSA-N 1 2 362.348 3.271 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000045782108 494461146 /nfs/dbraw/zinc/46/11/46/494461146.db2.gz AGBPHBPRQBIZDR-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056371364 494494977 /nfs/dbraw/zinc/49/49/77/494494977.db2.gz BMEVAMVLHQPMNE-CYBMUJFWSA-N 1 2 367.409 3.313 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599441 494540037 /nfs/dbraw/zinc/54/00/37/494540037.db2.gz RSQMHNALFYUIHY-INIZCTEOSA-N 1 2 355.438 3.382 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599441 494540041 /nfs/dbraw/zinc/54/00/41/494540041.db2.gz RSQMHNALFYUIHY-INIZCTEOSA-N 1 2 355.438 3.382 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046864174 494575327 /nfs/dbraw/zinc/57/53/27/494575327.db2.gz XQLMFONDGIIJDO-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046864174 494575330 /nfs/dbraw/zinc/57/53/30/494575330.db2.gz XQLMFONDGIIJDO-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000074727199 494583603 /nfs/dbraw/zinc/58/36/03/494583603.db2.gz QHPPTMULAJNBCV-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067658270 494600627 /nfs/dbraw/zinc/60/06/27/494600627.db2.gz VRNWBIAQFUUJIB-QGZVFWFLSA-N 1 2 357.435 3.323 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000067744126 494631706 /nfs/dbraw/zinc/63/17/06/494631706.db2.gz XRVDCUQJJDCBNU-AWEZNQCLSA-N 1 2 371.462 3.207 20 5 FGBDLO CCc1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000092504739 494647390 /nfs/dbraw/zinc/64/73/90/494647390.db2.gz HKLNAWWRWNNIRN-FNORWQNLSA-N 1 2 372.494 3.445 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000075006642 494672372 /nfs/dbraw/zinc/67/23/72/494672372.db2.gz MQTIBQFSRQSVOC-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000075006642 494672380 /nfs/dbraw/zinc/67/23/80/494672380.db2.gz MQTIBQFSRQSVOC-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC(F)F)CC2)o1 ZINC000092586588 494678562 /nfs/dbraw/zinc/67/85/62/494678562.db2.gz JVTZFFGGKKIJJV-UHFFFAOYSA-N 1 2 351.353 3.238 20 5 FGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000126306562 494704527 /nfs/dbraw/zinc/70/45/27/494704527.db2.gz YBLKNRNIIXSZEQ-UHFFFAOYSA-N 1 2 373.384 3.127 20 5 FGBDLO COc1cccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025916026 494789111 /nfs/dbraw/zinc/78/91/11/494789111.db2.gz RYKIUYSNLMFBAV-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1cccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025916026 494789118 /nfs/dbraw/zinc/78/91/18/494789118.db2.gz RYKIUYSNLMFBAV-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000132144884 494827725 /nfs/dbraw/zinc/82/77/25/494827725.db2.gz IJJGEJIQKBIJSL-UHFFFAOYSA-N 1 2 365.377 3.147 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000121704203 494841977 /nfs/dbraw/zinc/84/19/77/494841977.db2.gz SZQQBOMKCGEZTA-INIZCTEOSA-N 1 2 368.842 3.124 20 5 FGBDLO O=C(CCCc1ccccc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109218002 494849061 /nfs/dbraw/zinc/84/90/61/494849061.db2.gz SYJSFIHWZMAXSU-UHFFFAOYSA-N 1 2 367.449 3.262 20 5 FGBDLO CCCc1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000126901103 494858399 /nfs/dbraw/zinc/85/83/99/494858399.db2.gz UDYBNWLDSZIFOI-UHFFFAOYSA-N 1 2 357.395 3.442 20 5 FGBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000027383185 494866146 /nfs/dbraw/zinc/86/61/46/494866146.db2.gz INNIXKQTZHEWBG-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO COCCOc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OC ZINC000126977582 494871687 /nfs/dbraw/zinc/87/16/87/494871687.db2.gz SNYXQQYWCOBELO-UHFFFAOYSA-N 1 2 372.421 3.187 20 5 FGBDLO COCCOc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OC ZINC000126977582 494871691 /nfs/dbraw/zinc/87/16/91/494871691.db2.gz SNYXQQYWCOBELO-UHFFFAOYSA-N 1 2 372.421 3.187 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000093534816 494899125 /nfs/dbraw/zinc/89/91/25/494899125.db2.gz GOHNHXFYTSOJMD-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)nc1 ZINC000093534816 494899129 /nfs/dbraw/zinc/89/91/29/494899129.db2.gz GOHNHXFYTSOJMD-LLVKDONJSA-N 1 2 352.316 3.094 20 5 FGBDLO COc1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000093788325 494920322 /nfs/dbraw/zinc/92/03/22/494920322.db2.gz AGIGKNUNUAVWMQ-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000110154348 494953594 /nfs/dbraw/zinc/95/35/94/494953594.db2.gz IVNIUWKCHQUWJY-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO Cc1cc(N[C@H](CO)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000127853384 495008141 /nfs/dbraw/zinc/00/81/41/495008141.db2.gz BMHSGEQACPYOJD-KRWDZBQOSA-N 1 2 364.405 3.376 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122927800 495054223 /nfs/dbraw/zinc/05/42/23/495054223.db2.gz WYBHWTXQQIGBNN-CKEIUWERSA-N 1 2 374.466 3.382 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119210258 495117902 /nfs/dbraw/zinc/11/79/02/495117902.db2.gz CQEMWUGNKKNHKK-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119210258 495117907 /nfs/dbraw/zinc/11/79/07/495117907.db2.gz CQEMWUGNKKNHKK-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119274727 495131279 /nfs/dbraw/zinc/13/12/79/495131279.db2.gz OYGKSHLDQSDIJY-UHFFFAOYSA-N 1 2 355.394 3.457 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134481872 495156155 /nfs/dbraw/zinc/15/61/55/495156155.db2.gz YOAUPSHKVOVOAK-UHFFFAOYSA-N 1 2 368.368 3.103 20 5 FGBDLO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000129307055 495225820 /nfs/dbraw/zinc/22/58/20/495225820.db2.gz WIWJWESKRKBTHM-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000120051737 495296919 /nfs/dbraw/zinc/29/69/19/495296919.db2.gz KPQVDSXQIWLCNT-UHFFFAOYSA-N 1 2 366.421 3.392 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000124500633 495298223 /nfs/dbraw/zinc/29/82/23/495298223.db2.gz KRMTYSPUCDXXJB-UHFFFAOYSA-N 1 2 370.453 3.095 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(Cl)cn1C ZINC000120144128 495315513 /nfs/dbraw/zinc/31/55/13/495315513.db2.gz MGUTWFFJWRQHSE-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120144128 495315517 /nfs/dbraw/zinc/31/55/17/495315517.db2.gz MGUTWFFJWRQHSE-LLVKDONJSA-N 1 2 350.806 3.046 20 5 FGBDLO CC[C@]1(C)C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135678666 495325958 /nfs/dbraw/zinc/32/59/58/495325958.db2.gz CKWYLUQYADUIAK-QGZVFWFLSA-N 1 2 374.384 3.248 20 5 FGBDLO CC[C@]1(C)C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135678666 495325961 /nfs/dbraw/zinc/32/59/61/495325961.db2.gz CKWYLUQYADUIAK-QGZVFWFLSA-N 1 2 374.384 3.248 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cn2C)cccc1[N+](=O)[O-] ZINC000120280932 495342850 /nfs/dbraw/zinc/34/28/50/495342850.db2.gz GBDQQGSSTSWALM-LBPRGKRZSA-N 1 2 364.833 3.354 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)cccc1[N+](=O)[O-] ZINC000120280932 495342853 /nfs/dbraw/zinc/34/28/53/495342853.db2.gz GBDQQGSSTSWALM-LBPRGKRZSA-N 1 2 364.833 3.354 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120344848 495356977 /nfs/dbraw/zinc/35/69/77/495356977.db2.gz QSVLFPRPSZHKJX-CYBMUJFWSA-N 1 2 360.439 3.136 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120532533 495399407 /nfs/dbraw/zinc/39/94/07/495399407.db2.gz LPKOUMBGUAEUKO-KRWDZBQOSA-N 1 2 370.453 3.138 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137096872 495423253 /nfs/dbraw/zinc/42/32/53/495423253.db2.gz NLGGIBSJLALROS-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113370 495424620 /nfs/dbraw/zinc/42/46/20/495424620.db2.gz VSLVVXAWYXOIRQ-GJZGRUSLSA-N 1 2 371.441 3.054 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccc(F)cc1 ZINC000130921485 495466906 /nfs/dbraw/zinc/46/69/06/495466906.db2.gz JDJKFRJRNOGAGL-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccc(F)cc1 ZINC000130921485 495466910 /nfs/dbraw/zinc/46/69/10/495466910.db2.gz JDJKFRJRNOGAGL-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000139042815 495472221 /nfs/dbraw/zinc/47/22/21/495472221.db2.gz OACLVXPUVJNOAJ-LJQANCHMSA-N 1 2 371.437 3.303 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000140200524 495490984 /nfs/dbraw/zinc/49/09/84/495490984.db2.gz LNLAYYQAPGRKAO-SFHVURJKSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000140200524 495490988 /nfs/dbraw/zinc/49/09/88/495490988.db2.gz LNLAYYQAPGRKAO-SFHVURJKSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000115412822 495500603 /nfs/dbraw/zinc/50/06/03/495500603.db2.gz RHMQRWDAUKTNAI-OAHLLOKOSA-N 1 2 363.364 3.214 20 5 FGBDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131254384 495512859 /nfs/dbraw/zinc/51/28/59/495512859.db2.gz SXDJNMNNQRDGMF-JKSUJKDBSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131254384 495512864 /nfs/dbraw/zinc/51/28/64/495512864.db2.gz SXDJNMNNQRDGMF-JKSUJKDBSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131254578 495512913 /nfs/dbraw/zinc/51/29/13/495512913.db2.gz SXDJNMNNQRDGMF-HZPDHXFCSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131254578 495512919 /nfs/dbraw/zinc/51/29/19/495512919.db2.gz SXDJNMNNQRDGMF-HZPDHXFCSA-N 1 2 367.449 3.261 20 5 FGBDLO CC1(C)C[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000170628764 495537905 /nfs/dbraw/zinc/53/79/05/495537905.db2.gz ORHMRVZLEUKPFE-UHFFFAOYSA-N 1 2 363.461 3.229 20 5 FGBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000170628764 495537912 /nfs/dbraw/zinc/53/79/12/495537912.db2.gz ORHMRVZLEUKPFE-UHFFFAOYSA-N 1 2 363.461 3.229 20 5 FGBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nnc2ccccn21 ZINC000182685633 495663496 /nfs/dbraw/zinc/66/34/96/495663496.db2.gz QPYGRERXEQQERM-LBPRGKRZSA-N 1 2 364.365 3.143 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000182700408 495668511 /nfs/dbraw/zinc/66/85/11/495668511.db2.gz KSQWEGGGJTXPPC-ZDUSSCGKSA-N 1 2 355.398 3.276 20 5 FGBDLO CCCO[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000170973257 495673355 /nfs/dbraw/zinc/67/33/55/495673355.db2.gz KGRQBMUKMRQLGN-MRXNPFEDSA-N 1 2 372.425 3.202 20 5 FGBDLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182748306 495687842 /nfs/dbraw/zinc/68/78/42/495687842.db2.gz BEPNQBPBFPUBMH-CYBMUJFWSA-N 1 2 372.400 3.018 20 5 FGBDLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182753528 495690888 /nfs/dbraw/zinc/69/08/88/495690888.db2.gz FZMSGBKXIDWEBE-QGZVFWFLSA-N 1 2 371.485 3.132 20 5 FGBDLO CCc1cc(NCC[C@H](C)[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000154704247 495701826 /nfs/dbraw/zinc/70/18/26/495701826.db2.gz YVWRXNXCUXBAIM-VDBVYFBLSA-N 1 2 362.455 3.183 20 5 FGBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179725308 495706293 /nfs/dbraw/zinc/70/62/93/495706293.db2.gz MARMSJAYMHHJQY-UHFFFAOYSA-N 1 2 365.817 3.465 20 5 FGBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179725308 495706300 /nfs/dbraw/zinc/70/63/00/495706300.db2.gz MARMSJAYMHHJQY-UHFFFAOYSA-N 1 2 365.817 3.465 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000176619483 495722419 /nfs/dbraw/zinc/72/24/19/495722419.db2.gz RUNLESUNVMHMJI-LBPRGKRZSA-N 1 2 363.414 3.314 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc2cc(OC)ccc2n1C ZINC000185833168 495742825 /nfs/dbraw/zinc/74/28/25/495742825.db2.gz OKIRHYMQAJUHLS-UHFFFAOYSA-N 1 2 370.409 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000179818802 495747839 /nfs/dbraw/zinc/74/78/39/495747839.db2.gz BQOFSDQHVODYQJ-HNNXBMFYSA-N 1 2 364.409 3.066 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000179818802 495747847 /nfs/dbraw/zinc/74/78/47/495747847.db2.gz BQOFSDQHVODYQJ-HNNXBMFYSA-N 1 2 364.409 3.066 20 5 FGBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000161515469 496189538 /nfs/dbraw/zinc/18/95/38/496189538.db2.gz DEJZLQPFKSQLCC-CQSZACIVSA-N 1 2 369.381 3.266 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000175152572 496268648 /nfs/dbraw/zinc/26/86/48/496268648.db2.gz IBOGMEYYLDWIPD-SFHVURJKSA-N 1 2 369.421 3.057 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000175152572 496268651 /nfs/dbraw/zinc/26/86/51/496268651.db2.gz IBOGMEYYLDWIPD-SFHVURJKSA-N 1 2 369.421 3.057 20 5 FGBDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000175164027 496273512 /nfs/dbraw/zinc/27/35/12/496273512.db2.gz VCUKHGMLFZPWOZ-MRXNPFEDSA-N 1 2 359.451 3.441 20 5 FGBDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000175164027 496273519 /nfs/dbraw/zinc/27/35/19/496273519.db2.gz VCUKHGMLFZPWOZ-MRXNPFEDSA-N 1 2 359.451 3.441 20 5 FGBDLO CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000172566671 496342609 /nfs/dbraw/zinc/34/26/09/496342609.db2.gz HSCQCLDUAZZUCH-SJORKVTESA-N 1 2 372.425 3.056 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N(Cc1ccccc1)C1CC1 ZINC000153186039 496377922 /nfs/dbraw/zinc/37/79/22/496377922.db2.gz UVPYIFMYMQKLSP-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N(Cc1ccccc1)C1CC1 ZINC000153186039 496377926 /nfs/dbraw/zinc/37/79/26/496377926.db2.gz UVPYIFMYMQKLSP-UHFFFAOYSA-N 1 2 365.433 3.144 20 5 FGBDLO CC(C)(C)Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000172663344 496378353 /nfs/dbraw/zinc/37/83/53/496378353.db2.gz IGDDQTXRZGBBIZ-UHFFFAOYSA-N 1 2 368.397 3.345 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153290379 496410273 /nfs/dbraw/zinc/41/02/73/496410273.db2.gz RIFFYCOTHJGGGH-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153290379 496410278 /nfs/dbraw/zinc/41/02/78/496410278.db2.gz RIFFYCOTHJGGGH-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH+]c12 ZINC000153360285 496430992 /nfs/dbraw/zinc/43/09/92/496430992.db2.gz HRHGULYCDLEYLN-UHFFFAOYSA-N 1 2 361.361 3.029 20 5 FGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)n1C ZINC000178726682 496552419 /nfs/dbraw/zinc/55/24/19/496552419.db2.gz ODBIXBSQVARTGF-UHFFFAOYSA-N 1 2 366.421 3.252 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)n1C ZINC000178726682 496552429 /nfs/dbraw/zinc/55/24/29/496552429.db2.gz ODBIXBSQVARTGF-UHFFFAOYSA-N 1 2 366.421 3.252 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000580863307 505854921 /nfs/dbraw/zinc/85/49/21/505854921.db2.gz UCXKYDJUIFJUPP-LLVKDONJSA-N 1 2 357.414 3.294 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000580863307 505854923 /nfs/dbraw/zinc/85/49/23/505854923.db2.gz UCXKYDJUIFJUPP-LLVKDONJSA-N 1 2 357.414 3.294 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153888026 496613651 /nfs/dbraw/zinc/61/36/51/496613651.db2.gz GWAPEDOIFUIAQS-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153888026 496613657 /nfs/dbraw/zinc/61/36/57/496613657.db2.gz GWAPEDOIFUIAQS-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000154020335 496657567 /nfs/dbraw/zinc/65/75/67/496657567.db2.gz SEIRLTYBAYEVJP-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179163136 496698882 /nfs/dbraw/zinc/69/88/82/496698882.db2.gz YFOVOZIYDNHZDU-CYBMUJFWSA-N 1 2 368.418 3.213 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c(c1)OCO2 ZINC000182293020 496727501 /nfs/dbraw/zinc/72/75/01/496727501.db2.gz MRRMLWPCTHSTHG-LLVKDONJSA-N 1 2 368.349 3.224 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000277423107 496768794 /nfs/dbraw/zinc/76/87/94/496768794.db2.gz GTHPHPAFLIHZAR-UHFFFAOYSA-N 1 2 363.393 3.437 20 5 FGBDLO COc1cccc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194998378 496785212 /nfs/dbraw/zinc/78/52/12/496785212.db2.gz NAODPFYQUBCOCH-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273469447 496815432 /nfs/dbraw/zinc/81/54/32/496815432.db2.gz CUATYJNKLIELNG-HTQZYQBOSA-N 1 2 369.834 3.086 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277668120 496847186 /nfs/dbraw/zinc/84/71/86/496847186.db2.gz FLJKGVGHFLQHID-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277668120 496847192 /nfs/dbraw/zinc/84/71/92/496847192.db2.gz FLJKGVGHFLQHID-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000578142004 505871650 /nfs/dbraw/zinc/87/16/50/505871650.db2.gz CACPGFXGMCSKQV-YVDRWBGASA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000578142004 505871653 /nfs/dbraw/zinc/87/16/53/505871653.db2.gz CACPGFXGMCSKQV-YVDRWBGASA-N 1 2 356.382 3.074 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247580670 496892257 /nfs/dbraw/zinc/89/22/57/496892257.db2.gz LITPTXJNMWGLJF-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247580670 496892260 /nfs/dbraw/zinc/89/22/60/496892260.db2.gz LITPTXJNMWGLJF-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000248474275 497023200 /nfs/dbraw/zinc/02/32/00/497023200.db2.gz LQWZPJZYGAQBGG-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000248474275 497023205 /nfs/dbraw/zinc/02/32/05/497023205.db2.gz LQWZPJZYGAQBGG-LSDHHAIUSA-N 1 2 361.442 3.027 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000248607379 497054060 /nfs/dbraw/zinc/05/40/60/497054060.db2.gz GHSYHVXDJOVITN-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000248607379 497054064 /nfs/dbraw/zinc/05/40/64/497054064.db2.gz GHSYHVXDJOVITN-GUYCJALGSA-N 1 2 373.409 3.498 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248749092 497097841 /nfs/dbraw/zinc/09/78/41/497097841.db2.gz FQSDFKBIMQDENX-SUMDDJOVSA-N 1 2 370.453 3.470 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265367943 497108666 /nfs/dbraw/zinc/10/86/66/497108666.db2.gz YMFVUYNFDUSRBF-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248882709 497124885 /nfs/dbraw/zinc/12/48/85/497124885.db2.gz XFBDQQVFQBHWLY-XKQJLSEDSA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248882709 497124889 /nfs/dbraw/zinc/12/48/89/497124889.db2.gz XFBDQQVFQBHWLY-XKQJLSEDSA-N 1 2 371.393 3.023 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266267779 497291166 /nfs/dbraw/zinc/29/11/66/497291166.db2.gz GIPLGWVBYGOHFV-SNVBAGLBSA-N 1 2 368.315 3.357 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Br ZINC000271307585 497316384 /nfs/dbraw/zinc/31/63/84/497316384.db2.gz VYSZLFZMGQGAAF-JSGCOSHPSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Br ZINC000271307585 497316385 /nfs/dbraw/zinc/31/63/85/497316385.db2.gz VYSZLFZMGQGAAF-JSGCOSHPSA-N 1 2 373.272 3.064 20 5 FGBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193355236 497359373 /nfs/dbraw/zinc/35/93/73/497359373.db2.gz SCAPMZBOEMUKCJ-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271639606 497406100 /nfs/dbraw/zinc/40/61/00/497406100.db2.gz QXJKWYHTOYCNIS-KPZWWZAWSA-N 1 2 357.385 3.404 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279370402 497419255 /nfs/dbraw/zinc/41/92/55/497419255.db2.gz RULTYBNXJSYYOM-WQGACYEGSA-N 1 2 358.398 3.205 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279370402 497419258 /nfs/dbraw/zinc/41/92/58/497419258.db2.gz RULTYBNXJSYYOM-WQGACYEGSA-N 1 2 358.398 3.205 20 5 FGBDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000245525017 497439592 /nfs/dbraw/zinc/43/95/92/497439592.db2.gz OANWMGDTRHDQQG-SJLPKXTDSA-N 1 2 358.442 3.179 20 5 FGBDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000245525017 497439597 /nfs/dbraw/zinc/43/95/97/497439597.db2.gz OANWMGDTRHDQQG-SJLPKXTDSA-N 1 2 358.442 3.179 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000245821600 497544744 /nfs/dbraw/zinc/54/47/44/497544744.db2.gz DXKMLCWEJCMPOX-SQNIBIBYSA-N 1 2 373.409 3.018 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000245821600 497544745 /nfs/dbraw/zinc/54/47/45/497544745.db2.gz DXKMLCWEJCMPOX-SQNIBIBYSA-N 1 2 373.409 3.018 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000194394892 497653404 /nfs/dbraw/zinc/65/34/04/497653404.db2.gz ZOSPMMWHQJPZPX-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000194453047 497672435 /nfs/dbraw/zinc/67/24/35/497672435.db2.gz LZNNSAXAPVCIBV-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccnc1 ZINC000191116746 497714681 /nfs/dbraw/zinc/71/46/81/497714681.db2.gz AMOKUBWECJWJGD-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccnc1 ZINC000191116746 497714686 /nfs/dbraw/zinc/71/46/86/497714686.db2.gz AMOKUBWECJWJGD-UHFFFAOYSA-N 1 2 368.393 3.293 20 5 FGBDLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268345676 497730859 /nfs/dbraw/zinc/73/08/59/497730859.db2.gz BXODKWFMBSOCLG-PBHICJAKSA-N 1 2 356.426 3.179 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173359 497732824 /nfs/dbraw/zinc/73/28/24/497732824.db2.gz XFBDQQVFQBHWLY-XYPHTWIQSA-N 1 2 371.393 3.023 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191173359 497732829 /nfs/dbraw/zinc/73/28/29/497732829.db2.gz XFBDQQVFQBHWLY-XYPHTWIQSA-N 1 2 371.393 3.023 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246440130 497734338 /nfs/dbraw/zinc/73/43/38/497734338.db2.gz BKMXCWFBAGKIMH-HSMVNMDESA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246440130 497734342 /nfs/dbraw/zinc/73/43/42/497734342.db2.gz BKMXCWFBAGKIMH-HSMVNMDESA-N 1 2 367.833 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000272923962 497763087 /nfs/dbraw/zinc/76/30/87/497763087.db2.gz JMAOPVZFMZNKNJ-INIZCTEOSA-N 1 2 366.464 3.267 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000272923962 497763089 /nfs/dbraw/zinc/76/30/89/497763089.db2.gz JMAOPVZFMZNKNJ-INIZCTEOSA-N 1 2 366.464 3.267 20 5 FGBDLO O=C(C[N@@H+]1CC[C@](F)(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569475107 505944595 /nfs/dbraw/zinc/94/45/95/505944595.db2.gz BYNXHNAIXSTMSJ-HXUWFJFHSA-N 1 2 369.396 3.055 20 5 FGBDLO O=C(C[N@H+]1CC[C@](F)(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569475107 505944599 /nfs/dbraw/zinc/94/45/99/505944599.db2.gz BYNXHNAIXSTMSJ-HXUWFJFHSA-N 1 2 369.396 3.055 20 5 FGBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000288993649 497972027 /nfs/dbraw/zinc/97/20/27/497972027.db2.gz JENNNMHBNXWYEI-MRXNPFEDSA-N 1 2 358.398 3.304 20 5 FGBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000288993649 497972032 /nfs/dbraw/zinc/97/20/32/497972032.db2.gz JENNNMHBNXWYEI-MRXNPFEDSA-N 1 2 358.398 3.304 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438273 498146647 /nfs/dbraw/zinc/14/66/47/498146647.db2.gz DNGNHSAUVFIVQI-BMGDILEWSA-N 1 2 373.453 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438273 498146653 /nfs/dbraw/zinc/14/66/53/498146653.db2.gz DNGNHSAUVFIVQI-BMGDILEWSA-N 1 2 373.453 3.264 20 5 FGBDLO CC(C)c1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000364799866 498148697 /nfs/dbraw/zinc/14/86/97/498148697.db2.gz MQPNKZCQFPIATG-UHFFFAOYSA-N 1 2 356.426 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000289487484 498165886 /nfs/dbraw/zinc/16/58/86/498165886.db2.gz IUBNKNAGMHJWRR-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000289487484 498165891 /nfs/dbraw/zinc/16/58/91/498165891.db2.gz IUBNKNAGMHJWRR-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO CCOC(=O)c1cc(NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000301581855 498172886 /nfs/dbraw/zinc/17/28/86/498172886.db2.gz PTVVGFDVJAENIG-UHFFFAOYSA-N 1 2 354.366 3.340 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000365030948 498263884 /nfs/dbraw/zinc/26/38/84/498263884.db2.gz ZUHVAMGXZISSMS-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000365030948 498263890 /nfs/dbraw/zinc/26/38/90/498263890.db2.gz ZUHVAMGXZISSMS-UHFFFAOYSA-N 1 2 369.450 3.312 20 5 FGBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289738819 498272125 /nfs/dbraw/zinc/27/21/25/498272125.db2.gz IJLYKYPNLDESSB-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289738819 498272130 /nfs/dbraw/zinc/27/21/30/498272130.db2.gz IJLYKYPNLDESSB-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281964143 498336937 /nfs/dbraw/zinc/33/69/37/498336937.db2.gz NHJSVQIYHZYVKE-XJKSGUPXSA-N 1 2 373.413 3.305 20 5 FGBDLO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302220453 498449507 /nfs/dbraw/zinc/44/95/07/498449507.db2.gz MDBYAIUVQNHVRW-HIFRSBDPSA-N 1 2 367.331 3.050 20 5 FGBDLO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302220453 498449511 /nfs/dbraw/zinc/44/95/11/498449511.db2.gz MDBYAIUVQNHVRW-HIFRSBDPSA-N 1 2 367.331 3.050 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286685529 498475662 /nfs/dbraw/zinc/47/56/62/498475662.db2.gz VRXHNNVBGSPBGX-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286685529 498475669 /nfs/dbraw/zinc/47/56/69/498475669.db2.gz VRXHNNVBGSPBGX-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000572740130 506041207 /nfs/dbraw/zinc/04/12/07/506041207.db2.gz GQPDMCSOUSUMCY-SFHVURJKSA-N 1 2 369.396 3.179 20 5 FGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000302495544 498494194 /nfs/dbraw/zinc/49/41/94/498494194.db2.gz MCSQSPWIVQHCJX-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1[N+](=O)[O-] ZINC000332695302 498767056 /nfs/dbraw/zinc/76/70/56/498767056.db2.gz WZIKPOCYUXIGHA-AWEZNQCLSA-N 1 2 356.426 3.142 20 5 FGBDLO CCc1nn(C)c(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000576306845 506126906 /nfs/dbraw/zinc/12/69/06/506126906.db2.gz MYVUEKYEHJSEKP-CYBMUJFWSA-N 1 2 368.441 3.459 20 5 FGBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000369992978 499162797 /nfs/dbraw/zinc/16/27/97/499162797.db2.gz BTFWYLWQKLRDHP-GOSISDBHSA-N 1 2 373.363 3.186 20 5 FGBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000369992978 499162800 /nfs/dbraw/zinc/16/28/00/499162800.db2.gz BTFWYLWQKLRDHP-GOSISDBHSA-N 1 2 373.363 3.186 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC=C(c2ccco2)C1 ZINC000367665962 499222939 /nfs/dbraw/zinc/22/29/39/499222939.db2.gz OZJIFXUKNYSBNB-UHFFFAOYSA-N 1 2 364.361 3.303 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000371059662 499285033 /nfs/dbraw/zinc/28/50/33/499285033.db2.gz QKYLCDUBKBGHIE-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000371059662 499285034 /nfs/dbraw/zinc/28/50/34/499285034.db2.gz QKYLCDUBKBGHIE-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371523882 499337970 /nfs/dbraw/zinc/33/79/70/499337970.db2.gz FASGMSZPSRUMAR-GFCCVEGCSA-N 1 2 365.187 3.058 20 5 FGBDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009922 499356927 /nfs/dbraw/zinc/35/69/27/499356927.db2.gz ODNNWFOTOVMJQS-QGZVFWFLSA-N 1 2 372.425 3.230 20 5 FGBDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369009922 499356929 /nfs/dbraw/zinc/35/69/29/499356929.db2.gz ODNNWFOTOVMJQS-QGZVFWFLSA-N 1 2 372.425 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)o2)cc1 ZINC000371782986 499365108 /nfs/dbraw/zinc/36/51/08/499365108.db2.gz DNFDFNSMGFCJSH-KRWDZBQOSA-N 1 2 372.425 3.426 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)o2)cc1 ZINC000371782986 499365110 /nfs/dbraw/zinc/36/51/10/499365110.db2.gz DNFDFNSMGFCJSH-KRWDZBQOSA-N 1 2 372.425 3.426 20 5 FGBDLO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373100768 499451383 /nfs/dbraw/zinc/45/13/83/499451383.db2.gz UZNZYIXCYUVKDO-OAHLLOKOSA-N 1 2 371.422 3.037 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373435030 499469536 /nfs/dbraw/zinc/46/95/36/499469536.db2.gz JRIYHZZRGZYKEZ-CQSZACIVSA-N 1 2 355.398 3.089 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000373550230 499476464 /nfs/dbraw/zinc/47/64/64/499476464.db2.gz GKRHEASECGZYAB-JTQLQIEISA-N 1 2 359.386 3.498 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707037 499484405 /nfs/dbraw/zinc/48/44/05/499484405.db2.gz IPOZVCPHOQGUFB-MSOLQXFVSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000373707037 499484406 /nfs/dbraw/zinc/48/44/06/499484406.db2.gz IPOZVCPHOQGUFB-MSOLQXFVSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C(C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378390632 499511130 /nfs/dbraw/zinc/51/11/30/499511130.db2.gz AVOQSOBUNLFDEG-UHFFFAOYSA-N 1 2 372.812 3.371 20 5 FGBDLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378390632 499511131 /nfs/dbraw/zinc/51/11/31/499511131.db2.gz AVOQSOBUNLFDEG-UHFFFAOYSA-N 1 2 372.812 3.371 20 5 FGBDLO Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000375656208 499541816 /nfs/dbraw/zinc/54/18/16/499541816.db2.gz GSANIIWHHUCJBR-SFHVURJKSA-N 1 2 367.409 3.125 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000376408333 499606291 /nfs/dbraw/zinc/60/62/91/499606291.db2.gz ORODFIYJDYYNEB-UHFFFAOYSA-N 1 2 352.379 3.397 20 5 FGBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000410243852 499650874 /nfs/dbraw/zinc/65/08/74/499650874.db2.gz ZZVMJECKDYMEJS-UHFFFAOYSA-N 1 2 352.398 3.083 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000411940193 499805168 /nfs/dbraw/zinc/80/51/68/499805168.db2.gz JUTQUWBXEABZJC-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000411940193 499805169 /nfs/dbraw/zinc/80/51/69/499805169.db2.gz JUTQUWBXEABZJC-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO CC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000412627910 499870355 /nfs/dbraw/zinc/87/03/55/499870355.db2.gz HIBWYFSBEVEKEK-LLVKDONJSA-N 1 2 370.331 3.489 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000413281892 499936686 /nfs/dbraw/zinc/93/66/86/499936686.db2.gz ODOZKNSQXQFBOR-BXUZGUMPSA-N 1 2 355.316 3.140 20 5 FGBDLO Cc1cc(N2CCO[C@@H](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413469244 499966005 /nfs/dbraw/zinc/96/60/05/499966005.db2.gz AVJGUALJTKYFTR-QGZVFWFLSA-N 1 2 354.410 3.366 20 5 FGBDLO CCc1[nH+]c2cc(CNc3c([N+](=O)[O-])c(C)nn3C)ccc2n1C1CC1 ZINC000576481632 506169247 /nfs/dbraw/zinc/16/92/47/506169247.db2.gz HPNATUSZDVGCIZ-UHFFFAOYSA-N 1 2 354.414 3.496 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429376867 500064310 /nfs/dbraw/zinc/06/43/10/500064310.db2.gz BLOKLVBXAMYSID-ZIAGYGMSSA-N 1 2 363.458 3.071 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000425451255 500110355 /nfs/dbraw/zinc/11/03/55/500110355.db2.gz WOFQPGXBKNLDCC-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000425451255 500110357 /nfs/dbraw/zinc/11/03/57/500110357.db2.gz WOFQPGXBKNLDCC-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207970 500208932 /nfs/dbraw/zinc/20/89/32/500208932.db2.gz NXYYWQMPASJTDB-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207970 500208935 /nfs/dbraw/zinc/20/89/35/500208935.db2.gz NXYYWQMPASJTDB-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000427059796 500349518 /nfs/dbraw/zinc/34/95/18/500349518.db2.gz CFOOVEKKDFFDCT-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000432328216 500500269 /nfs/dbraw/zinc/50/02/69/500500269.db2.gz VVSFRLONVCKAKB-UHFFFAOYSA-N 1 2 371.828 3.218 20 5 FGBDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420930452 500534070 /nfs/dbraw/zinc/53/40/70/500534070.db2.gz SBMQFQRWEXVUTK-TZMCWYRMSA-N 1 2 374.441 3.413 20 5 FGBDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420930452 500534074 /nfs/dbraw/zinc/53/40/74/500534074.db2.gz SBMQFQRWEXVUTK-TZMCWYRMSA-N 1 2 374.441 3.413 20 5 FGBDLO Nc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000447686589 500646228 /nfs/dbraw/zinc/64/62/28/500646228.db2.gz REYDONHOLPQJCD-UHFFFAOYSA-N 1 2 363.246 3.064 20 5 FGBDLO C[C@@H]1CC[C@@]2(CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)C1 ZINC000447805797 500666021 /nfs/dbraw/zinc/66/60/21/500666021.db2.gz KJETWERZMQYWGK-OXQOHEQNSA-N 1 2 359.470 3.444 20 5 FGBDLO Cc1cccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447815971 500669060 /nfs/dbraw/zinc/66/90/60/500669060.db2.gz IGTVGMYPEYNCHP-UHFFFAOYSA-N 1 2 355.438 3.372 20 5 FGBDLO CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443110210 500681560 /nfs/dbraw/zinc/68/15/60/500681560.db2.gz MXBUMXCPIWHNHU-KOLCDFICSA-N 1 2 352.778 3.006 20 5 FGBDLO CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443110215 500681674 /nfs/dbraw/zinc/68/16/74/500681674.db2.gz MXBUMXCPIWHNHU-ONGXEEELSA-N 1 2 352.778 3.006 20 5 FGBDLO CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443128689 500684633 /nfs/dbraw/zinc/68/46/33/500684633.db2.gz MCQZFIKTKLSBCM-JTQLQIEISA-N 1 2 354.819 3.331 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000433409169 500688780 /nfs/dbraw/zinc/68/87/80/500688780.db2.gz ISUKBPJDMKSXKG-UHFFFAOYSA-N 1 2 359.430 3.198 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(n4cc(Cl)cn4)CC3)nc2c1 ZINC000444666812 500875488 /nfs/dbraw/zinc/87/54/88/500875488.db2.gz BFQIXPJZOJHLOZ-UHFFFAOYSA-N 1 2 360.805 3.158 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000444894107 500918767 /nfs/dbraw/zinc/91/87/67/500918767.db2.gz ITLFUOVBGREBOL-UHFFFAOYSA-N 1 2 367.365 3.111 20 5 FGBDLO CCc1cc(N[C@H](CC)c2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439651092 500923012 /nfs/dbraw/zinc/92/30/12/500923012.db2.gz RKDQCWFXDUXEDT-OAHLLOKOSA-N 1 2 352.398 3.322 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000445818195 501037094 /nfs/dbraw/zinc/03/70/94/501037094.db2.gz JTSXUPFRUQUXHU-LRPNZCEASA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000445818195 501037097 /nfs/dbraw/zinc/03/70/97/501037097.db2.gz JTSXUPFRUQUXHU-LRPNZCEASA-N 1 2 356.382 3.074 20 5 FGBDLO CCc1ncc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])o1 ZINC000449607149 501043081 /nfs/dbraw/zinc/04/30/81/501043081.db2.gz ADSOKSQRMBLXMS-UHFFFAOYSA-N 1 2 371.340 3.088 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067274 501068045 /nfs/dbraw/zinc/06/80/45/501068045.db2.gz AMBHMOXBVWEHLU-GARJFASQSA-N 1 2 360.357 3.203 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067274 501068041 /nfs/dbraw/zinc/06/80/41/501068041.db2.gz AMBHMOXBVWEHLU-GARJFASQSA-N 1 2 360.357 3.203 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436151903 501078760 /nfs/dbraw/zinc/07/87/60/501078760.db2.gz LVACYZXMSNCVGP-UHFFFAOYSA-N 1 2 358.401 3.395 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450355541 501098667 /nfs/dbraw/zinc/09/86/67/501098667.db2.gz CWYHIAOUDRRGTN-CYBMUJFWSA-N 1 2 361.833 3.230 20 5 FGBDLO CCC[C@H](C)c1cc(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH][nH]1 ZINC000449939809 501132011 /nfs/dbraw/zinc/13/20/11/501132011.db2.gz KFTCHUSRSYFJFG-LBPRGKRZSA-N 1 2 368.397 3.081 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)c1C ZINC000436640195 501176476 /nfs/dbraw/zinc/17/64/76/501176476.db2.gz HGBIVEKTHXMITO-UHFFFAOYSA-N 1 2 352.350 3.355 20 5 FGBDLO CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450310030 501231029 /nfs/dbraw/zinc/23/10/29/501231029.db2.gz WDLWGULTAWPFSM-WMLDXEAASA-N 1 2 372.425 3.104 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000451201215 501251575 /nfs/dbraw/zinc/25/15/75/501251575.db2.gz LEDMFNAVZXIEKY-LLVKDONJSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)c[nH+]1 ZINC000453235232 501295925 /nfs/dbraw/zinc/29/59/25/501295925.db2.gz JLYOSPFGRJOUDY-UHFFFAOYSA-N 1 2 351.366 3.297 20 5 FGBDLO Cc1cc2[nH]c(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2c(C)c1 ZINC000453582597 501353476 /nfs/dbraw/zinc/35/34/76/501353476.db2.gz WTPUSSMWHRWQIY-UHFFFAOYSA-N 1 2 365.437 3.410 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000582486700 506249848 /nfs/dbraw/zinc/24/98/48/506249848.db2.gz PAXIOIYDNXHJDN-UHFFFAOYSA-N 1 2 354.366 3.287 20 5 FGBDLO O=C(NC1(C(F)F)CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451902199 501396346 /nfs/dbraw/zinc/39/63/46/501396346.db2.gz NYHZAKWEVMABCN-UHFFFAOYSA-N 1 2 364.352 3.478 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456352311 501507281 /nfs/dbraw/zinc/50/72/81/501507281.db2.gz LNKYCWJMLPZJEK-SNVBAGLBSA-N 1 2 368.846 3.434 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611700287 506262235 /nfs/dbraw/zinc/26/22/35/506262235.db2.gz NVOCCIBJOWVREK-KRWDZBQOSA-N 1 2 360.377 3.473 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459097233 501593660 /nfs/dbraw/zinc/59/36/60/501593660.db2.gz DTWXSDZHFHJBMI-CJNGLKHVSA-N 1 2 357.414 3.417 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2[nH+]ccn21 ZINC000459111055 501595857 /nfs/dbraw/zinc/59/58/57/501595857.db2.gz LTMIVQLDEFONRB-MLGOLLRUSA-N 1 2 355.398 3.171 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000596119302 506268477 /nfs/dbraw/zinc/26/84/77/506268477.db2.gz BVUORBAHEAZRLO-UHFFFAOYSA-N 1 2 361.833 3.453 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296253 501762625 /nfs/dbraw/zinc/76/26/25/501762625.db2.gz AUQYGQAJFIZKHP-SKDZVZGDSA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296253 501762631 /nfs/dbraw/zinc/76/26/31/501762631.db2.gz AUQYGQAJFIZKHP-SKDZVZGDSA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296252 501762842 /nfs/dbraw/zinc/76/28/42/501762842.db2.gz AUQYGQAJFIZKHP-QBIMZIAESA-N 1 2 362.426 3.156 20 5 FGBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000467296252 501762846 /nfs/dbraw/zinc/76/28/46/501762846.db2.gz AUQYGQAJFIZKHP-QBIMZIAESA-N 1 2 362.426 3.156 20 5 FGBDLO Cn1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000481498501 501792653 /nfs/dbraw/zinc/79/26/53/501792653.db2.gz PRNFVYNQJLSUGN-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000471002883 501888580 /nfs/dbraw/zinc/88/85/80/501888580.db2.gz BJDBKGUVDHDIRI-UHFFFAOYSA-N 1 2 359.451 3.412 20 5 FGBDLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000471002883 501888583 /nfs/dbraw/zinc/88/85/83/501888583.db2.gz BJDBKGUVDHDIRI-UHFFFAOYSA-N 1 2 359.451 3.412 20 5 FGBDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467977791 501918702 /nfs/dbraw/zinc/91/87/02/501918702.db2.gz DMODSUOFNCNCDX-MRXNPFEDSA-N 1 2 362.813 3.165 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474773664 501947376 /nfs/dbraw/zinc/94/73/76/501947376.db2.gz HZPYORSAQUNWDF-UHFFFAOYSA-N 1 2 374.347 3.190 20 5 FGBDLO CCOc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471249199 501967774 /nfs/dbraw/zinc/96/77/74/501967774.db2.gz IWEVFBAECUKORP-IBGZPJMESA-N 1 2 371.437 3.479 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000474969077 502007379 /nfs/dbraw/zinc/00/73/79/502007379.db2.gz UFKKFGNLCRKREL-TZMCWYRMSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000474969077 502007382 /nfs/dbraw/zinc/00/73/82/502007382.db2.gz UFKKFGNLCRKREL-TZMCWYRMSA-N 1 2 356.426 3.424 20 5 FGBDLO CCC1(CC)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000464585701 502036742 /nfs/dbraw/zinc/03/67/42/502036742.db2.gz DGHWXMFMRXFLQZ-UHFFFAOYSA-N 1 2 367.471 3.150 20 5 FGBDLO CCC1(CC)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000464585701 502036748 /nfs/dbraw/zinc/03/67/48/502036748.db2.gz DGHWXMFMRXFLQZ-UHFFFAOYSA-N 1 2 367.471 3.150 20 5 FGBDLO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000464685738 502063734 /nfs/dbraw/zinc/06/37/34/502063734.db2.gz XIVSQVKKXSHTKJ-UHFFFAOYSA-N 1 2 361.373 3.181 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(c2nncn2C2CC2)CC1 ZINC000599049049 506292437 /nfs/dbraw/zinc/29/24/37/506292437.db2.gz REEVYMYHUAOYEA-UHFFFAOYSA-N 1 2 364.409 3.453 20 5 FGBDLO Cc1nsc(N2CCCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599051160 506295201 /nfs/dbraw/zinc/29/52/01/506295201.db2.gz GRFKSSRPIGKZMH-UHFFFAOYSA-N 1 2 370.438 3.020 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc[nH+]c(-c3ccccc3)c2)cc1 ZINC000479236958 502201299 /nfs/dbraw/zinc/20/12/99/502201299.db2.gz BALJHQNOCRGWFL-UHFFFAOYSA-N 1 2 355.375 3.458 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1cccc(F)c1 ZINC000472044165 502210032 /nfs/dbraw/zinc/21/00/32/502210032.db2.gz SHDPMXMSGFGVKU-UHFFFAOYSA-N 1 2 359.401 3.221 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000482930774 502220204 /nfs/dbraw/zinc/22/02/04/502220204.db2.gz VAKWVWADPTVHOZ-QFBILLFUSA-N 1 2 369.421 3.304 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000482930774 502220209 /nfs/dbraw/zinc/22/02/09/502220209.db2.gz VAKWVWADPTVHOZ-QFBILLFUSA-N 1 2 369.421 3.304 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482949636 502225690 /nfs/dbraw/zinc/22/56/90/502225690.db2.gz QZNHEDTTZZRVCH-QGZVFWFLSA-N 1 2 355.394 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482949636 502225691 /nfs/dbraw/zinc/22/56/91/502225691.db2.gz QZNHEDTTZZRVCH-QGZVFWFLSA-N 1 2 355.394 3.379 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000599071103 506310491 /nfs/dbraw/zinc/31/04/91/506310491.db2.gz QDDZIPIPGRFMHR-UHFFFAOYSA-N 1 2 364.409 3.070 20 5 FGBDLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000479885753 502408814 /nfs/dbraw/zinc/40/88/14/502408814.db2.gz MLOJOJSQRGRKTE-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000479885753 502408822 /nfs/dbraw/zinc/40/88/22/502408822.db2.gz MLOJOJSQRGRKTE-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO O=C(NCc1cccc2cc[nH]c21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000469514907 502448559 /nfs/dbraw/zinc/44/85/59/502448559.db2.gz DLIFLODFKAERIW-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000473170289 502534914 /nfs/dbraw/zinc/53/49/14/502534914.db2.gz OPNAVSWZCJSEBU-IINYFYTJSA-N 1 2 360.395 3.091 20 5 FGBDLO CCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000466637938 502629271 /nfs/dbraw/zinc/62/92/71/502629271.db2.gz SKZDUIOKPHBHND-UHFFFAOYSA-N 1 2 356.426 3.401 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000470026858 502634490 /nfs/dbraw/zinc/63/44/90/502634490.db2.gz DKYFTTOSNDLUNN-UHFFFAOYSA-N 1 2 370.409 3.297 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470138416 502674788 /nfs/dbraw/zinc/67/47/88/502674788.db2.gz ZRWGGMUJUCBJCT-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000466926983 502729162 /nfs/dbraw/zinc/72/91/62/502729162.db2.gz WMHDRVBEYIGLRI-INIZCTEOSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000466926983 502729164 /nfs/dbraw/zinc/72/91/64/502729164.db2.gz WMHDRVBEYIGLRI-INIZCTEOSA-N 1 2 369.421 3.379 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481223002 502787477 /nfs/dbraw/zinc/78/74/77/502787477.db2.gz DTAXCQNKTVLNFO-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481223002 502787484 /nfs/dbraw/zinc/78/74/84/502787484.db2.gz DTAXCQNKTVLNFO-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481223002 502787492 /nfs/dbraw/zinc/78/74/92/502787492.db2.gz DTAXCQNKTVLNFO-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463419775 502793952 /nfs/dbraw/zinc/79/39/52/502793952.db2.gz YYQHCWFDFJLYEM-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463419775 502793955 /nfs/dbraw/zinc/79/39/55/502793955.db2.gz YYQHCWFDFJLYEM-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000509126395 502827920 /nfs/dbraw/zinc/82/79/20/502827920.db2.gz NJSQMZPPXXZYPA-UHFFFAOYSA-N 1 2 374.393 3.391 20 5 FGBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000509126395 502827922 /nfs/dbraw/zinc/82/79/22/502827922.db2.gz NJSQMZPPXXZYPA-UHFFFAOYSA-N 1 2 374.393 3.391 20 5 FGBDLO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000496056650 502871627 /nfs/dbraw/zinc/87/16/27/502871627.db2.gz VDEATTMYHAWXSW-ZDUSSCGKSA-N 1 2 357.410 3.160 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2c(F)cccc2OC)c1 ZINC000593017777 506339546 /nfs/dbraw/zinc/33/95/46/506339546.db2.gz AVQQDVICAGIAJI-NSHDSACASA-N 1 2 362.357 3.380 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1 ZINC000593018741 506340163 /nfs/dbraw/zinc/34/01/63/506340163.db2.gz FANGOSXCELIPDK-LLVKDONJSA-N 1 2 362.357 3.380 20 5 FGBDLO Nc1c(F)c(NCc2[nH+]ccn2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000509544546 502930999 /nfs/dbraw/zinc/93/09/99/502930999.db2.gz WGUUPUBCTRPZCB-UHFFFAOYSA-N 1 2 355.373 3.367 20 5 FGBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603391 502947066 /nfs/dbraw/zinc/94/70/66/502947066.db2.gz CTXAVPNXSMNDQX-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603391 502947070 /nfs/dbraw/zinc/94/70/70/502947070.db2.gz CTXAVPNXSMNDQX-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000489426618 502955366 /nfs/dbraw/zinc/95/53/66/502955366.db2.gz BEVYULITOLXRHF-OAHLLOKOSA-N 1 2 360.458 3.316 20 5 FGBDLO Cc1cccc(OCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000513698348 503003301 /nfs/dbraw/zinc/00/33/01/503003301.db2.gz ZOBCMQYGFTVZEK-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CC2 ZINC000599149428 506347687 /nfs/dbraw/zinc/34/76/87/506347687.db2.gz MTZIRHJHLZADRQ-MRXNPFEDSA-N 1 2 356.426 3.099 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000506124219 503053109 /nfs/dbraw/zinc/05/31/09/503053109.db2.gz GCZVCEUWVHZCRH-GOSISDBHSA-N 1 2 368.437 3.203 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000506124219 503053115 /nfs/dbraw/zinc/05/31/15/503053115.db2.gz GCZVCEUWVHZCRH-GOSISDBHSA-N 1 2 368.437 3.203 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000501722842 503067221 /nfs/dbraw/zinc/06/72/21/503067221.db2.gz XZWIWARICLAJIM-POHAHGRESA-N 1 2 361.405 3.423 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507239507 503257180 /nfs/dbraw/zinc/25/71/80/503257180.db2.gz ZWEHKXCEVCTANT-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507239507 503257184 /nfs/dbraw/zinc/25/71/84/503257184.db2.gz ZWEHKXCEVCTANT-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000491136040 503277943 /nfs/dbraw/zinc/27/79/43/503277943.db2.gz AKKQVIRYVCVBFF-UHFFFAOYSA-N 1 2 365.393 3.168 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502970803 503316347 /nfs/dbraw/zinc/31/63/47/503316347.db2.gz PZUPHOPEOPPJBQ-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502970803 503316350 /nfs/dbraw/zinc/31/63/50/503316350.db2.gz PZUPHOPEOPPJBQ-UHFFFAOYSA-N 1 2 357.385 3.348 20 5 FGBDLO Cc1c(CC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000493209836 503413195 /nfs/dbraw/zinc/41/31/95/503413195.db2.gz ZYGIUUHAJPGXFT-IBGZPJMESA-N 1 2 364.405 3.417 20 5 FGBDLO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503685393 503458078 /nfs/dbraw/zinc/45/80/78/503458078.db2.gz SYHMFQNYBOURHR-UHFFFAOYSA-N 1 2 369.421 3.216 20 5 FGBDLO Cc1sc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000516333608 503496227 /nfs/dbraw/zinc/49/62/27/503496227.db2.gz BUCAHLZWVYCYNT-UHFFFAOYSA-N 1 2 372.406 3.493 20 5 FGBDLO COc1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1F ZINC000499941042 503517222 /nfs/dbraw/zinc/51/72/22/503517222.db2.gz XOYUIXUEOLRNMG-CYBMUJFWSA-N 1 2 372.755 3.358 20 5 FGBDLO CCc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000516846450 503599141 /nfs/dbraw/zinc/59/91/41/503599141.db2.gz XDAIMAYHEGPJOT-UHFFFAOYSA-N 1 2 371.418 3.069 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000527266088 503744999 /nfs/dbraw/zinc/74/49/99/503744999.db2.gz VSJBVPPAXBFILY-UHFFFAOYSA-N 1 2 367.409 3.069 20 5 FGBDLO CCc1ccc([C@@H](NCCC[NH+]2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543404850 503756835 /nfs/dbraw/zinc/75/68/35/503756835.db2.gz PEJFRCPMCGGVMJ-FQEVSTJZSA-N 1 2 373.453 3.152 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537228690 503850277 /nfs/dbraw/zinc/85/02/77/503850277.db2.gz KSOXQWXZADQQCP-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537228690 503850283 /nfs/dbraw/zinc/85/02/83/503850283.db2.gz KSOXQWXZADQQCP-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000530374974 503941811 /nfs/dbraw/zinc/94/18/11/503941811.db2.gz RGUQYSUSTABUTA-PHIMTYICSA-N 1 2 363.805 3.395 20 5 FGBDLO COc1cc2c(cc1C[N@@H+]1CCc3ccc([N+](=O)[O-])cc3C1)O[C@H](C)C2 ZINC000537628213 503984005 /nfs/dbraw/zinc/98/40/05/503984005.db2.gz ROEZSOJKQGRZJF-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(cc1C[N@H+]1CCc3ccc([N+](=O)[O-])cc3C1)O[C@H](C)C2 ZINC000537628213 503984011 /nfs/dbraw/zinc/98/40/11/503984011.db2.gz ROEZSOJKQGRZJF-CYBMUJFWSA-N 1 2 354.406 3.485 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000533950477 503999991 /nfs/dbraw/zinc/99/99/91/503999991.db2.gz WAVPDJUQZLEJNY-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000534067932 504031618 /nfs/dbraw/zinc/03/16/18/504031618.db2.gz FOIXNJJPMFJEKT-UHFFFAOYSA-N 1 2 355.394 3.151 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2n1C ZINC000531199280 504224359 /nfs/dbraw/zinc/22/43/59/504224359.db2.gz GNERUIJKAQLSHG-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO COc1cc(NCc2ccc([N+](=O)[O-])cc2C)[nH+]cc1Br ZINC000542705748 504583008 /nfs/dbraw/zinc/58/30/08/504583008.db2.gz FNCZXNIMMHXIDD-UHFFFAOYSA-N 1 2 352.188 3.103 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000520862623 504598642 /nfs/dbraw/zinc/59/86/42/504598642.db2.gz KLAJKRCTPNKGIZ-UHFFFAOYSA-N 1 2 370.390 3.052 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000542804068 504616746 /nfs/dbraw/zinc/61/67/46/504616746.db2.gz MFFHVCYXDDLKQU-CYBMUJFWSA-N 1 2 357.414 3.268 20 5 FGBDLO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000549203172 504722835 /nfs/dbraw/zinc/72/28/35/504722835.db2.gz WTFCVSQUKLIUOQ-UHFFFAOYSA-N 1 2 354.370 3.494 20 5 FGBDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000521414908 504731344 /nfs/dbraw/zinc/73/13/44/504731344.db2.gz SLXHRYXOYYQJKM-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000532751617 504751695 /nfs/dbraw/zinc/75/16/95/504751695.db2.gz MTTFUGCUWQFGBW-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000532751617 504751697 /nfs/dbraw/zinc/75/16/97/504751697.db2.gz MTTFUGCUWQFGBW-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO COc1ccc(OCC[N@H+](C)Cc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000559366456 504848609 /nfs/dbraw/zinc/84/86/09/504848609.db2.gz GEVRBHMAUNATRF-UHFFFAOYSA-N 1 2 352.337 3.392 20 5 FGBDLO COc1ccc(OCC[N@@H+](C)Cc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000559366456 504848612 /nfs/dbraw/zinc/84/86/12/504848612.db2.gz GEVRBHMAUNATRF-UHFFFAOYSA-N 1 2 352.337 3.392 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000565565481 504923775 /nfs/dbraw/zinc/92/37/75/504923775.db2.gz GASKVRXRRQWVJK-HZSPNIEDSA-N 1 2 371.441 3.291 20 5 FGBDLO CCc1nn(C)c(NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c1[N+](=O)[O-] ZINC000565784193 504986577 /nfs/dbraw/zinc/98/65/77/504986577.db2.gz GOOKDCABVRJFKA-UHFFFAOYSA-N 1 2 354.414 3.496 20 5 FGBDLO CC(=O)c1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000550345090 505027056 /nfs/dbraw/zinc/02/70/56/505027056.db2.gz VEVBDRHVFHIABS-IBGZPJMESA-N 1 2 369.421 3.283 20 5 FGBDLO CCN(CC)c1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c[nH+]1 ZINC000550730309 505091932 /nfs/dbraw/zinc/09/19/32/505091932.db2.gz KZUQXQDXFCVQMF-UHFFFAOYSA-N 1 2 359.386 3.070 20 5 FGBDLO C[C@](O)(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000560466444 505094900 /nfs/dbraw/zinc/09/49/00/505094900.db2.gz MCPJGHJSJNLILF-AWEZNQCLSA-N 1 2 368.302 3.398 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000566184879 505106710 /nfs/dbraw/zinc/10/67/10/505106710.db2.gz RWRRFNXDRGALKB-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000566184879 505106715 /nfs/dbraw/zinc/10/67/15/505106715.db2.gz RWRRFNXDRGALKB-LLVKDONJSA-N 1 2 372.368 3.348 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000560528174 505115785 /nfs/dbraw/zinc/11/57/85/505115785.db2.gz LCYOEAUANMLOEO-QGZVFWFLSA-N 1 2 358.348 3.486 20 5 FGBDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])ccc2NC1=O ZINC000554319516 505144393 /nfs/dbraw/zinc/14/43/93/505144393.db2.gz FGDMFXJVWWKUEP-PIGZYNQJSA-N 1 2 371.393 3.261 20 5 FGBDLO CNc1ccc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000554479836 505183177 /nfs/dbraw/zinc/18/31/77/505183177.db2.gz KAGNMFQLZBIIOM-QGZVFWFLSA-N 1 2 365.393 3.221 20 5 FGBDLO Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(-c2cccnc2)[nH+]1 ZINC000558047541 505295845 /nfs/dbraw/zinc/29/58/45/505295845.db2.gz NYPQNMNBKKCZSF-UHFFFAOYSA-N 1 2 374.404 3.313 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000564208627 505353567 /nfs/dbraw/zinc/35/35/67/505353567.db2.gz MXVUIMKCLNWSNH-KRWDZBQOSA-N 1 2 352.456 3.090 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000564208627 505353570 /nfs/dbraw/zinc/35/35/70/505353570.db2.gz MXVUIMKCLNWSNH-KRWDZBQOSA-N 1 2 352.456 3.090 20 5 FGBDLO CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000552161997 505418793 /nfs/dbraw/zinc/41/87/93/505418793.db2.gz AAJYNGIEFQQPGX-INIZCTEOSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000552161997 505418801 /nfs/dbraw/zinc/41/88/01/505418801.db2.gz AAJYNGIEFQQPGX-INIZCTEOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552311942 505456680 /nfs/dbraw/zinc/45/66/80/505456680.db2.gz JJXWHEILQMZGDJ-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO Cc1cc(N2CCO[C@](C)(C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596573548 506466815 /nfs/dbraw/zinc/46/68/15/506466815.db2.gz YRZBHCLUZTYLCL-KRWDZBQOSA-N 1 2 364.352 3.221 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585405 506512860 /nfs/dbraw/zinc/51/28/60/506512860.db2.gz YSTJHUBKBKFBKW-DOMZBBRYSA-N 1 2 350.415 3.100 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585405 506512865 /nfs/dbraw/zinc/51/28/65/506512865.db2.gz YSTJHUBKBKFBKW-DOMZBBRYSA-N 1 2 350.415 3.100 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000603531480 506547443 /nfs/dbraw/zinc/54/74/43/506547443.db2.gz PWXWOKTXQJUOTP-UHFFFAOYSA-N 1 2 366.377 3.456 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000589496909 506568389 /nfs/dbraw/zinc/56/83/89/506568389.db2.gz XKXBOWKQCXNJNH-QGZVFWFLSA-N 1 2 374.393 3.156 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000589496909 506568396 /nfs/dbraw/zinc/56/83/96/506568396.db2.gz XKXBOWKQCXNJNH-QGZVFWFLSA-N 1 2 374.393 3.156 20 5 FGBDLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000604107942 506715747 /nfs/dbraw/zinc/71/57/47/506715747.db2.gz AYCZXYSACOCIIM-AWEZNQCLSA-N 1 2 350.378 3.331 20 5 FGBDLO COc1ccccc1CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609075609 506770606 /nfs/dbraw/zinc/77/06/06/506770606.db2.gz GTIHFJGXEYIZSU-INIZCTEOSA-N 1 2 355.438 3.482 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccncc1 ZINC000590370072 506805755 /nfs/dbraw/zinc/80/57/55/506805755.db2.gz USSAKMGUWBVEKA-GOSISDBHSA-N 1 2 355.394 3.439 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccncc1 ZINC000590370072 506805760 /nfs/dbraw/zinc/80/57/60/506805760.db2.gz USSAKMGUWBVEKA-GOSISDBHSA-N 1 2 355.394 3.439 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CCF)C3)o2)c([N+](=O)[O-])c1 ZINC000600203203 506841499 /nfs/dbraw/zinc/84/14/99/506841499.db2.gz AMPBYHBLDLQQCI-CQSZACIVSA-N 1 2 364.373 3.424 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](CCF)C3)o2)c([N+](=O)[O-])c1 ZINC000600203203 506841502 /nfs/dbraw/zinc/84/15/02/506841502.db2.gz AMPBYHBLDLQQCI-CQSZACIVSA-N 1 2 364.373 3.424 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597221818 506844138 /nfs/dbraw/zinc/84/41/38/506844138.db2.gz UCWTTWBFMJODGT-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597221818 506844144 /nfs/dbraw/zinc/84/41/44/506844144.db2.gz UCWTTWBFMJODGT-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1[nH+]ccn1CCc1ccccc1 ZINC000590586593 506869554 /nfs/dbraw/zinc/86/95/54/506869554.db2.gz NJIUILVAHRYKRE-UHFFFAOYSA-N 1 2 357.801 3.116 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441624 506881738 /nfs/dbraw/zinc/88/17/38/506881738.db2.gz QZZOPRIWQFXSQT-UHFFFAOYSA-N 1 2 356.357 3.212 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601125542 507268682 /nfs/dbraw/zinc/26/86/82/507268682.db2.gz RQOYZYGDOAJZBB-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000601299999 507328105 /nfs/dbraw/zinc/32/81/05/507328105.db2.gz SOOUSACSNXZFSK-KRWDZBQOSA-N 1 2 352.398 3.063 20 5 FGBDLO CC(C)(C)O[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000591987966 507442265 /nfs/dbraw/zinc/44/22/65/507442265.db2.gz NTEOAJJQZBGDKB-IYBDPMFKSA-N 1 2 363.458 3.185 20 5 FGBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595318207 507460179 /nfs/dbraw/zinc/46/01/79/507460179.db2.gz SLVJLOTVAMBXQM-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595318207 507460185 /nfs/dbraw/zinc/46/01/85/507460185.db2.gz SLVJLOTVAMBXQM-UHFFFAOYSA-N 1 2 362.357 3.111 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3cccc(Cl)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595500942 507532434 /nfs/dbraw/zinc/53/24/34/507532434.db2.gz QBZHSZGUWYMFIW-LLVKDONJSA-N 1 2 350.806 3.255 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3cccc(Cl)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595500942 507532446 /nfs/dbraw/zinc/53/24/46/507532446.db2.gz QBZHSZGUWYMFIW-LLVKDONJSA-N 1 2 350.806 3.255 20 5 FGBDLO O=C(C[NH2+][C@H](C(F)F)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000598649318 507532983 /nfs/dbraw/zinc/53/29/83/507532983.db2.gz LWZUTQVWTKVGJW-KRWDZBQOSA-N 1 2 367.396 3.288 20 5 FGBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523051 507542330 /nfs/dbraw/zinc/54/23/30/507542330.db2.gz GSADTLLUKAPODQ-SFHVURJKSA-N 1 2 367.409 3.203 20 5 FGBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523051 507542341 /nfs/dbraw/zinc/54/23/41/507542341.db2.gz GSADTLLUKAPODQ-SFHVURJKSA-N 1 2 367.409 3.203 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2c[nH+]c[nH]2)cc1OC ZINC000595591166 507580573 /nfs/dbraw/zinc/58/05/73/507580573.db2.gz FLJQHNKHDCSDIL-ZDUSSCGKSA-N 1 2 362.430 3.383 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2c[nH]c[nH+]2)cc1OC ZINC000595591166 507580577 /nfs/dbraw/zinc/58/05/77/507580577.db2.gz FLJQHNKHDCSDIL-ZDUSSCGKSA-N 1 2 362.430 3.383 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611271400 507593622 /nfs/dbraw/zinc/59/36/22/507593622.db2.gz IJWAJLBYFKEECR-FQEVSTJZSA-N 1 2 370.405 3.114 20 5 FGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611271400 507593627 /nfs/dbraw/zinc/59/36/27/507593627.db2.gz IJWAJLBYFKEECR-FQEVSTJZSA-N 1 2 370.405 3.114 20 5 FGBDLO O=[N+]([O-])c1c(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc2sccn21 ZINC000614771539 507647634 /nfs/dbraw/zinc/64/76/34/507647634.db2.gz OIEMQPJTBBOGRN-LBPRGKRZSA-N 1 2 358.427 3.247 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000595758200 507670807 /nfs/dbraw/zinc/67/08/07/507670807.db2.gz DDGDBTCNDIJEFO-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000595758200 507670809 /nfs/dbraw/zinc/67/08/09/507670809.db2.gz DDGDBTCNDIJEFO-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592520737 507693332 /nfs/dbraw/zinc/69/33/32/507693332.db2.gz QDGVNWQXHQWZGL-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592520737 507693336 /nfs/dbraw/zinc/69/33/36/507693336.db2.gz QDGVNWQXHQWZGL-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO COc1cc2c(cc1F)C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611479750 507700166 /nfs/dbraw/zinc/70/01/66/507700166.db2.gz OHZHECMCXMQGRL-UHFFFAOYSA-N 1 2 374.368 3.072 20 5 FGBDLO COc1cc2c(cc1F)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611479750 507700169 /nfs/dbraw/zinc/70/01/69/507700169.db2.gz OHZHECMCXMQGRL-UHFFFAOYSA-N 1 2 374.368 3.072 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000595845475 507709376 /nfs/dbraw/zinc/70/93/76/507709376.db2.gz NXCKKFWEIPGYAN-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000595845475 507709382 /nfs/dbraw/zinc/70/93/82/507709382.db2.gz NXCKKFWEIPGYAN-CYBMUJFWSA-N 1 2 351.204 3.001 20 5 FGBDLO COc1ncccc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602509885 507732035 /nfs/dbraw/zinc/73/20/35/507732035.db2.gz VPJQSLVPCVGCGI-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+]Cc2nccn2C(F)F)cc1Br ZINC000602531607 507740415 /nfs/dbraw/zinc/74/04/15/507740415.db2.gz YHAOXLCMTCSSKE-UHFFFAOYSA-N 1 2 367.175 3.300 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)c1 ZINC000826499662 608403664 /nfs/dbraw/zinc/40/36/64/608403664.db2.gz RPSIELRDJKEFPL-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)c1 ZINC000826499662 608403666 /nfs/dbraw/zinc/40/36/66/608403666.db2.gz RPSIELRDJKEFPL-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=C(OCc1ccc(Cl)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073911399 695974739 /nfs/dbraw/zinc/97/47/39/695974739.db2.gz APSCPWZGCJLYJG-UHFFFAOYSA-N 1 2 358.741 3.186 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000172176353 705410010 /nfs/dbraw/zinc/41/00/10/705410010.db2.gz UJRCRFQFKCHHHD-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000172176353 705410011 /nfs/dbraw/zinc/41/00/11/705410011.db2.gz UJRCRFQFKCHHHD-KRWDZBQOSA-N 1 2 359.813 3.311 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374340252 713914782 /nfs/dbraw/zinc/91/47/82/713914782.db2.gz JLQOJMLYLCYQGP-MASHWEEQSA-N 1 2 360.801 3.011 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804616001 724534398 /nfs/dbraw/zinc/53/43/98/724534398.db2.gz HWZYIVSEWQMSCX-LBPRGKRZSA-N 1 2 362.411 3.448 20 5 FGBDLO Cc1ccccc1[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725776957 722421915 /nfs/dbraw/zinc/42/19/15/722421915.db2.gz ATQVYFRQYLMTMZ-GFCCVEGCSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1ccccc1[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725776957 722421917 /nfs/dbraw/zinc/42/19/17/722421917.db2.gz ATQVYFRQYLMTMZ-GFCCVEGCSA-N 1 2 365.231 3.309 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494505 722516910 /nfs/dbraw/zinc/51/69/10/722516910.db2.gz YXKMICWBOCWEDB-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494505 722516911 /nfs/dbraw/zinc/51/69/11/722516911.db2.gz YXKMICWBOCWEDB-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000742238403 722553761 /nfs/dbraw/zinc/55/37/61/722553761.db2.gz ZLUIMTKTRQUBNK-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000742238403 722553762 /nfs/dbraw/zinc/55/37/62/722553762.db2.gz ZLUIMTKTRQUBNK-UHFFFAOYSA-N 1 2 361.776 3.050 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753821017 722914548 /nfs/dbraw/zinc/91/45/48/722914548.db2.gz WXJUWUNJTVLDMZ-LBPRGKRZSA-N 1 2 363.215 3.443 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755893484 722958115 /nfs/dbraw/zinc/95/81/15/722958115.db2.gz DOWIGUQQVBNEEL-LBPRGKRZSA-N 1 2 361.423 3.280 20 5 FGBDLO Cc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000790960296 723199697 /nfs/dbraw/zinc/19/96/97/723199697.db2.gz DQLAFVYBKVVEIX-UHFFFAOYSA-N 1 2 366.780 3.338 20 5 FGBDLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000796267243 723629335 /nfs/dbraw/zinc/62/93/35/723629335.db2.gz WBMJOZVZJCPWHZ-UHFFFAOYSA-N 1 2 357.801 3.427 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000775641610 724014253 /nfs/dbraw/zinc/01/42/53/724014253.db2.gz SCFMNPJAIZROGJ-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000775641610 724014256 /nfs/dbraw/zinc/01/42/56/724014256.db2.gz SCFMNPJAIZROGJ-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242431 724369983 /nfs/dbraw/zinc/36/99/83/724369983.db2.gz IVZRCPMBMVTEBK-CYBMUJFWSA-N 1 2 356.419 3.296 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242431 724369985 /nfs/dbraw/zinc/36/99/85/724369985.db2.gz IVZRCPMBMVTEBK-CYBMUJFWSA-N 1 2 356.419 3.296 20 5 FGBDLO Cn1nc(Br)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785487101 724916138 /nfs/dbraw/zinc/91/61/38/724916138.db2.gz UXDPOBOHUSGBNR-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c2ncc([N+](=O)[O-])cc12 ZINC000789477658 725131060 /nfs/dbraw/zinc/13/10/60/725131060.db2.gz HKZJNZVUHVUFRG-GXTWGEPZSA-N 1 2 370.240 3.121 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c2ncc([N+](=O)[O-])cc12 ZINC000789477658 725131062 /nfs/dbraw/zinc/13/10/62/725131062.db2.gz HKZJNZVUHVUFRG-GXTWGEPZSA-N 1 2 370.240 3.121 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000827725435 729433839 /nfs/dbraw/zinc/43/38/39/729433839.db2.gz KGNAGTKTUHEHGQ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000827725435 729433840 /nfs/dbraw/zinc/43/38/40/729433840.db2.gz KGNAGTKTUHEHGQ-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000832633987 729723841 /nfs/dbraw/zinc/72/38/41/729723841.db2.gz KCPLJKCOYZHXIK-UHFFFAOYSA-N 1 2 369.830 3.047 20 5 FGBDLO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000834814191 729836131 /nfs/dbraw/zinc/83/61/31/729836131.db2.gz GDUQVWPJBKGSTR-ZBEGNZNMSA-N 1 2 364.398 3.303 20 5 FGBDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852495745 731592929 /nfs/dbraw/zinc/59/29/29/731592929.db2.gz NEPHFVXOLUWVGY-ZANVPECISA-N 1 2 358.225 3.002 20 5 FGBDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852495745 731592933 /nfs/dbraw/zinc/59/29/33/731592933.db2.gz NEPHFVXOLUWVGY-ZANVPECISA-N 1 2 358.225 3.002 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963163 737091689 /nfs/dbraw/zinc/09/16/89/737091689.db2.gz YAERRXUFLOTJNE-NEPJUHHUSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963163 737091692 /nfs/dbraw/zinc/09/16/92/737091692.db2.gz YAERRXUFLOTJNE-NEPJUHHUSA-N 1 2 369.849 3.058 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC(F)F ZINC000885951490 739203067 /nfs/dbraw/zinc/20/30/67/739203067.db2.gz JQYNEVRGLOLOHN-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC(F)F ZINC000885951490 739203070 /nfs/dbraw/zinc/20/30/70/739203070.db2.gz JQYNEVRGLOLOHN-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000894904283 742350592 /nfs/dbraw/zinc/35/05/92/742350592.db2.gz OCHIZHLCKRHTCD-CYBMUJFWSA-N 1 2 361.423 3.218 20 5 FGBDLO COC(=O)c1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000894904283 742350599 /nfs/dbraw/zinc/35/05/99/742350599.db2.gz OCHIZHLCKRHTCD-CYBMUJFWSA-N 1 2 361.423 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(Br)cn1)CCC2 ZINC000903320621 743837278 /nfs/dbraw/zinc/83/72/78/743837278.db2.gz MOGRZQXTUAHPPC-AWEZNQCLSA-N 1 2 363.215 3.315 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000906468387 744135329 /nfs/dbraw/zinc/13/53/29/744135329.db2.gz KPHHIUFNKNHRBX-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]12 ZINC000917615211 758250116 /nfs/dbraw/zinc/25/01/16/758250116.db2.gz IUSJBSOOXHBIAM-NTZNESFSSA-N 1 2 357.252 3.412 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]12 ZINC000917615211 758250121 /nfs/dbraw/zinc/25/01/21/758250121.db2.gz IUSJBSOOXHBIAM-NTZNESFSSA-N 1 2 357.252 3.412 20 5 FGBDLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000926300872 759706183 /nfs/dbraw/zinc/70/61/83/759706183.db2.gz DMAZPTPYCJAPNU-SECBINFHSA-N 1 2 357.336 3.384 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCCn2nccc21 ZINC000931569033 760899275 /nfs/dbraw/zinc/89/92/75/760899275.db2.gz FNDMVPKUGKQVES-LBPRGKRZSA-N 1 2 351.204 3.179 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC[C@@H](C)C1 ZINC000249028727 257371253 /nfs/dbraw/zinc/37/12/53/257371253.db2.gz LUGQDKKNVDDQCC-WDEREUQCSA-N 1 2 357.863 3.260 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC[C@@H](C)C1 ZINC000249028727 257371254 /nfs/dbraw/zinc/37/12/54/257371254.db2.gz LUGQDKKNVDDQCC-WDEREUQCSA-N 1 2 357.863 3.260 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000573885824 505643472 /nfs/dbraw/zinc/64/34/72/505643472.db2.gz SHDATDKMMKBEFS-UHFFFAOYSA-N 1 2 362.798 3.425 20 5 FGBDLO Cc1cc(NCc2cccc(C(N)=O)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826380 493803940 /nfs/dbraw/zinc/80/39/40/493803940.db2.gz WEYNEKMFGUVYPT-UHFFFAOYSA-N 1 2 363.377 3.071 20 5 FGBDLO CN(C(=O)C[N@H+](Cc1ccccc1F)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029114859 493817455 /nfs/dbraw/zinc/81/74/55/493817455.db2.gz IGFHSXFMLCCWCQ-UHFFFAOYSA-N 1 2 357.385 3.361 20 5 FGBDLO CN(C(=O)C[N@@H+](Cc1ccccc1F)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029114859 493817462 /nfs/dbraw/zinc/81/74/62/493817462.db2.gz IGFHSXFMLCCWCQ-UHFFFAOYSA-N 1 2 357.385 3.361 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540638 493897258 /nfs/dbraw/zinc/89/72/58/493897258.db2.gz XWFLNWMREZYGJA-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000081929407 493966547 /nfs/dbraw/zinc/96/65/47/493966547.db2.gz UVOLZFRNILLAFB-UHFFFAOYSA-N 1 2 369.421 3.242 20 5 FGBDLO CCc1cccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451910 493970339 /nfs/dbraw/zinc/97/03/39/493970339.db2.gz BNWIVXPOUPUYSV-GOSISDBHSA-N 1 2 367.405 3.461 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000033232550 494053091 /nfs/dbraw/zinc/05/30/91/494053091.db2.gz LMMMSAPVPZXURP-CQSZACIVSA-N 1 2 360.757 3.094 20 5 FGBDLO CCOc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000008173901 494073937 /nfs/dbraw/zinc/07/39/37/494073937.db2.gz XCYYXGBVTKRDBI-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000087129102 494174582 /nfs/dbraw/zinc/17/45/82/494174582.db2.gz OZWXWCQGOIBIOC-UHFFFAOYSA-N 1 2 356.426 3.085 20 5 FGBDLO CCn1c(CCNc2nc3sccn3c2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000065947374 494259773 /nfs/dbraw/zinc/25/97/73/494259773.db2.gz ZTKYQNDEIXZJFY-UHFFFAOYSA-N 1 2 356.411 3.328 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072862576 494268899 /nfs/dbraw/zinc/26/88/99/494268899.db2.gz QHTVAWQZBDGDJN-CMPLNLGQSA-N 1 2 357.863 3.403 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072862576 494268901 /nfs/dbraw/zinc/26/89/01/494268901.db2.gz QHTVAWQZBDGDJN-CMPLNLGQSA-N 1 2 357.863 3.403 20 5 FGBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000078463598 494300205 /nfs/dbraw/zinc/30/02/05/494300205.db2.gz OCAKXYJDKLIHGF-ZDUSSCGKSA-N 1 2 363.849 3.173 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066847406 494422479 /nfs/dbraw/zinc/42/24/79/494422479.db2.gz UWOYWLYJHNJZGP-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066847406 494422484 /nfs/dbraw/zinc/42/24/84/494422484.db2.gz UWOYWLYJHNJZGP-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000079453522 494456860 /nfs/dbraw/zinc/45/68/60/494456860.db2.gz JYJLOPNMRURWRI-HNNXBMFYSA-N 1 2 351.366 3.086 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067059213 494465828 /nfs/dbraw/zinc/46/58/28/494465828.db2.gz DACILZPZZLQSLN-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000046583010 494539117 /nfs/dbraw/zinc/53/91/17/494539117.db2.gz ABGKXFHBJZUUOO-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000046616926 494542456 /nfs/dbraw/zinc/54/24/56/494542456.db2.gz UYYXXOMYSYKTFP-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131435360 494617713 /nfs/dbraw/zinc/61/77/13/494617713.db2.gz XJCGLVFGVVSHIG-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131435360 494617720 /nfs/dbraw/zinc/61/77/20/494617720.db2.gz XJCGLVFGVVSHIG-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO CN(CCCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047165070 494646302 /nfs/dbraw/zinc/64/63/02/494646302.db2.gz WZDPCXXOAUTVNG-UHFFFAOYSA-N 1 2 364.405 3.485 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000108170542 494656871 /nfs/dbraw/zinc/65/68/71/494656871.db2.gz HPLSANCSNJIRME-UHFFFAOYSA-N 1 2 374.466 3.245 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000092016771 494757445 /nfs/dbraw/zinc/75/74/45/494757445.db2.gz BNKMAPJHVOWTQK-LJQANCHMSA-N 1 2 358.442 3.199 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000092016771 494757450 /nfs/dbraw/zinc/75/74/50/494757450.db2.gz BNKMAPJHVOWTQK-LJQANCHMSA-N 1 2 358.442 3.199 20 5 FGBDLO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000092139670 494797247 /nfs/dbraw/zinc/79/72/47/494797247.db2.gz HIDXCPRGTBWKRB-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO C[NH+]1CCN(CCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000075669929 494812293 /nfs/dbraw/zinc/81/22/93/494812293.db2.gz WSAORSJJPJNMIN-UHFFFAOYSA-N 1 2 360.380 3.053 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)Cc3cccnc3)cs2)c1 ZINC000093085660 494823225 /nfs/dbraw/zinc/82/32/25/494823225.db2.gz IFONSHKJZWHRIE-UHFFFAOYSA-N 1 2 370.434 3.108 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)Cc3cccnc3)cs2)c1 ZINC000093085660 494823227 /nfs/dbraw/zinc/82/32/27/494823227.db2.gz IFONSHKJZWHRIE-UHFFFAOYSA-N 1 2 370.434 3.108 20 5 FGBDLO Cc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000121761518 494854855 /nfs/dbraw/zinc/85/48/55/494854855.db2.gz WEOPGIVZCCUBIC-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1[N+](=O)[O-] ZINC000093335824 494872172 /nfs/dbraw/zinc/87/21/72/494872172.db2.gz UTOLHKMPXHQFMU-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574341746 505750990 /nfs/dbraw/zinc/75/09/90/505750990.db2.gz ADCABRFQZVTQFT-LBPRGKRZSA-N 1 2 359.348 3.104 20 5 FGBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574341746 505750995 /nfs/dbraw/zinc/75/09/95/505750995.db2.gz ADCABRFQZVTQFT-LBPRGKRZSA-N 1 2 359.348 3.104 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117745429 494952258 /nfs/dbraw/zinc/95/22/58/494952258.db2.gz TUVWZWSONSBHGS-UHFFFAOYSA-N 1 2 372.812 3.265 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000127719671 494986584 /nfs/dbraw/zinc/98/65/84/494986584.db2.gz ZAVIOCBROBPRBA-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO CCCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000122581751 494998175 /nfs/dbraw/zinc/99/81/75/494998175.db2.gz MAAWRUPNKAMUIX-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000122581751 494998179 /nfs/dbraw/zinc/99/81/79/494998179.db2.gz MAAWRUPNKAMUIX-ZDUSSCGKSA-N 1 2 360.863 3.037 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000128018337 495031461 /nfs/dbraw/zinc/03/14/61/495031461.db2.gz SHJNCOVDHLBPSM-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000128018337 495031464 /nfs/dbraw/zinc/03/14/64/495031464.db2.gz SHJNCOVDHLBPSM-GFCCVEGCSA-N 1 2 366.443 3.303 20 5 FGBDLO COC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000111246395 495054408 /nfs/dbraw/zinc/05/44/08/495054408.db2.gz NETWPKVRJLPBEG-UHFFFAOYSA-N 1 2 373.409 3.258 20 5 FGBDLO CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128249004 495067206 /nfs/dbraw/zinc/06/72/06/495067206.db2.gz RKKCUQKAYCIPQK-MRXNPFEDSA-N 1 2 365.393 3.399 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123243888 495102782 /nfs/dbraw/zinc/10/27/82/495102782.db2.gz XIOFUAKKRKHTKA-WBMJQRKESA-N 1 2 360.439 3.237 20 5 FGBDLO O=C(C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000119259285 495129114 /nfs/dbraw/zinc/12/91/14/495129114.db2.gz QYESDEPFGIBSGK-LJQANCHMSA-N 1 2 354.406 3.111 20 5 FGBDLO O=C(C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000119259285 495129116 /nfs/dbraw/zinc/12/91/16/495129116.db2.gz QYESDEPFGIBSGK-LJQANCHMSA-N 1 2 354.406 3.111 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128871734 495162191 /nfs/dbraw/zinc/16/21/91/495162191.db2.gz RJODEBQNZCBRBJ-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129962450 495320933 /nfs/dbraw/zinc/32/09/33/495320933.db2.gz ANUHIKLTPWWLOZ-UHFFFAOYSA-N 1 2 369.768 3.307 20 5 FGBDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000124671474 495325876 /nfs/dbraw/zinc/32/58/76/495325876.db2.gz GDXBCUZQVNZCRZ-CQSZACIVSA-N 1 2 373.409 3.166 20 5 FGBDLO Cc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000105389231 495361374 /nfs/dbraw/zinc/36/13/74/495361374.db2.gz WQIOEQKSERZTST-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125131826 495394687 /nfs/dbraw/zinc/39/46/87/495394687.db2.gz QLXFUKMPCZIBHG-INIZCTEOSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125131826 495394689 /nfs/dbraw/zinc/39/46/89/495394689.db2.gz QLXFUKMPCZIBHG-INIZCTEOSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)ccc1F ZINC000130843415 495454532 /nfs/dbraw/zinc/45/45/32/495454532.db2.gz KQJJSNXEFQYQJT-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)ccc1F ZINC000130843415 495454536 /nfs/dbraw/zinc/45/45/36/495454536.db2.gz KQJJSNXEFQYQJT-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C)noc1C ZINC000182453984 495569602 /nfs/dbraw/zinc/56/96/02/495569602.db2.gz MDWIUTRBUZUHRP-AWEZNQCLSA-N 1 2 357.370 3.491 20 5 FGBDLO CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000154311550 495576786 /nfs/dbraw/zinc/57/67/86/495576786.db2.gz FBRSTQSRFMWGEN-QZTJIDSGSA-N 1 2 370.409 3.304 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000154314571 495577696 /nfs/dbraw/zinc/57/76/96/495577696.db2.gz JTXISTHDVBPHFJ-HDMKZQKVSA-N 1 2 371.441 3.453 20 5 FGBDLO CCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179641804 495673708 /nfs/dbraw/zinc/67/37/08/495673708.db2.gz NZNXAQUDBHCBBW-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO CCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179641804 495673714 /nfs/dbraw/zinc/67/37/14/495673714.db2.gz NZNXAQUDBHCBBW-HNNXBMFYSA-N 1 2 354.472 3.117 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000171421995 495866497 /nfs/dbraw/zinc/86/64/97/495866497.db2.gz FSZHZELVWSTPBD-UHFFFAOYSA-N 1 2 371.441 3.176 20 5 FGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171589225 495939843 /nfs/dbraw/zinc/93/98/43/495939843.db2.gz IHZLYISVAHGONN-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO COc1ccccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155703740 496040211 /nfs/dbraw/zinc/04/02/11/496040211.db2.gz KHBRZUAPMFZWQC-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155703740 496040216 /nfs/dbraw/zinc/04/02/16/496040216.db2.gz KHBRZUAPMFZWQC-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000161362178 496160149 /nfs/dbraw/zinc/16/01/49/496160149.db2.gz KBAKVEOXDDUFME-UHFFFAOYSA-N 1 2 362.455 3.360 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000175019975 496211699 /nfs/dbraw/zinc/21/16/99/496211699.db2.gz WPFFRQWUSWHZCF-UHFFFAOYSA-N 1 2 362.382 3.314 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000175019975 496211707 /nfs/dbraw/zinc/21/17/07/496211707.db2.gz WPFFRQWUSWHZCF-UHFFFAOYSA-N 1 2 362.382 3.314 20 5 FGBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000184087692 496231848 /nfs/dbraw/zinc/23/18/48/496231848.db2.gz JOOFGHQKFIFLEG-UHFFFAOYSA-N 1 2 351.322 3.012 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187048978 496268604 /nfs/dbraw/zinc/26/86/04/496268604.db2.gz XWEAPUKSXKUWGL-AWEZNQCLSA-N 1 2 351.453 3.220 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187048978 496268609 /nfs/dbraw/zinc/26/86/09/496268609.db2.gz XWEAPUKSXKUWGL-AWEZNQCLSA-N 1 2 351.453 3.220 20 5 FGBDLO C[C@H]1COc2ccccc2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175349689 496350744 /nfs/dbraw/zinc/35/07/44/496350744.db2.gz GJHUYFVMIJUFGB-ZDUSSCGKSA-N 1 2 364.361 3.208 20 5 FGBDLO Cc1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000178190210 496363052 /nfs/dbraw/zinc/36/30/52/496363052.db2.gz DWHHAJGJKRCVNN-UHFFFAOYSA-N 1 2 358.379 3.094 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178189630 496363388 /nfs/dbraw/zinc/36/33/88/496363388.db2.gz UEOCAEFYHFWGPU-UHFFFAOYSA-N 1 2 358.379 3.094 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000157927598 496586958 /nfs/dbraw/zinc/58/69/58/496586958.db2.gz NFPXIYMCZGOQON-MRXNPFEDSA-N 1 2 368.397 3.069 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000157927598 496586964 /nfs/dbraw/zinc/58/69/64/496586964.db2.gz NFPXIYMCZGOQON-MRXNPFEDSA-N 1 2 368.397 3.069 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc[nH+]c(C)c1Cl ZINC000165259593 496653796 /nfs/dbraw/zinc/65/37/96/496653796.db2.gz LPPNKTMYEBPQAF-UHFFFAOYSA-N 1 2 355.803 3.369 20 5 FGBDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185090052 496655696 /nfs/dbraw/zinc/65/56/96/496655696.db2.gz SCONFTCYENPLNI-ZYHUDNBSSA-N 1 2 364.427 3.128 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000158503033 496715321 /nfs/dbraw/zinc/71/53/21/496715321.db2.gz DOAZMSHNDMTVBJ-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000158503033 496715326 /nfs/dbraw/zinc/71/53/26/496715326.db2.gz DOAZMSHNDMTVBJ-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000182347523 496730762 /nfs/dbraw/zinc/73/07/62/496730762.db2.gz LQEIIURRYLBTEO-INIZCTEOSA-N 1 2 368.220 3.392 20 5 FGBDLO CC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000265169825 497062793 /nfs/dbraw/zinc/06/27/93/497062793.db2.gz YLSHTKALNKPBCR-CQSZACIVSA-N 1 2 354.410 3.076 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248782627 497103500 /nfs/dbraw/zinc/10/35/00/497103500.db2.gz WXZFBUKYQAIMPF-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248782627 497103505 /nfs/dbraw/zinc/10/35/05/497103505.db2.gz WXZFBUKYQAIMPF-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3Br)cn2c1 ZINC000569289125 505897563 /nfs/dbraw/zinc/89/75/63/505897563.db2.gz KRJRLTFFYIIWNK-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Br ZINC000271307583 497316364 /nfs/dbraw/zinc/31/63/64/497316364.db2.gz VYSZLFZMGQGAAF-GXTWGEPZSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1Br ZINC000271307583 497316365 /nfs/dbraw/zinc/31/63/65/497316365.db2.gz VYSZLFZMGQGAAF-GXTWGEPZSA-N 1 2 373.272 3.064 20 5 FGBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000279086405 497329015 /nfs/dbraw/zinc/32/90/15/497329015.db2.gz NAVXZJVHOSYZEJ-MRXNPFEDSA-N 1 2 355.442 3.425 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255416383 497366484 /nfs/dbraw/zinc/36/64/84/497366484.db2.gz WGQNVSYUOJLTCW-DAXSKMNVSA-N 1 2 369.396 3.205 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193611663 497426419 /nfs/dbraw/zinc/42/64/19/497426419.db2.gz SYLBFQQNZCFGRW-UHFFFAOYSA-N 1 2 353.382 3.383 20 5 FGBDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000193626180 497431781 /nfs/dbraw/zinc/43/17/81/497431781.db2.gz FDNFZIOVTLSSJP-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO C[C@@H](O)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272509143 497647597 /nfs/dbraw/zinc/64/75/97/497647597.db2.gz IQLZQCDZCFOCRB-KUHUBIRLSA-N 1 2 366.421 3.261 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272630430 497684731 /nfs/dbraw/zinc/68/47/31/497684731.db2.gz KGYQXFNWROOMRK-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000272630430 497684733 /nfs/dbraw/zinc/68/47/33/497684733.db2.gz KGYQXFNWROOMRK-ZDUSSCGKSA-N 1 2 352.778 3.080 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1F ZINC000284628745 497848401 /nfs/dbraw/zinc/84/84/01/497848401.db2.gz KQHVFIWDVIIPDN-UHFFFAOYSA-N 1 2 374.294 3.073 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)c1 ZINC000364335409 497906669 /nfs/dbraw/zinc/90/66/69/497906669.db2.gz IRVDAUNZNSRHAZ-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)c1 ZINC000364335409 497906673 /nfs/dbraw/zinc/90/66/73/497906673.db2.gz IRVDAUNZNSRHAZ-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000284870021 497926998 /nfs/dbraw/zinc/92/69/98/497926998.db2.gz DTMZZNJWQDNZDD-SFHVURJKSA-N 1 2 366.425 3.409 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000284870021 497927002 /nfs/dbraw/zinc/92/70/02/497927002.db2.gz DTMZZNJWQDNZDD-SFHVURJKSA-N 1 2 366.425 3.409 20 5 FGBDLO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000280884698 497935211 /nfs/dbraw/zinc/93/52/11/497935211.db2.gz GJFJHKFVVRLZLC-CYBMUJFWSA-N 1 2 357.410 3.160 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000301126155 497964023 /nfs/dbraw/zinc/96/40/23/497964023.db2.gz WADCMMJNYJYXDO-UHFFFAOYSA-N 1 2 351.366 3.376 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCCO)Cc3ccccn3)co2)cc1 ZINC000280951377 497964359 /nfs/dbraw/zinc/96/43/59/497964359.db2.gz ISSBHXKORJASGG-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCCO)Cc3ccccn3)co2)cc1 ZINC000280951377 497964364 /nfs/dbraw/zinc/96/43/64/497964364.db2.gz ISSBHXKORJASGG-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c(Cl)c1 ZINC000301139159 497968774 /nfs/dbraw/zinc/96/87/74/497968774.db2.gz BUPUDIGNVSIEGZ-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c(Cl)c1 ZINC000301139159 497968780 /nfs/dbraw/zinc/96/87/80/497968780.db2.gz BUPUDIGNVSIEGZ-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000296285247 497984863 /nfs/dbraw/zinc/98/48/63/497984863.db2.gz JGBOMFXQMDSORB-WFASDCNBSA-N 1 2 357.414 3.182 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000281008022 497985687 /nfs/dbraw/zinc/98/56/87/497985687.db2.gz RYNPNDNHUVPTBW-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301244415 498017970 /nfs/dbraw/zinc/01/79/70/498017970.db2.gz AEWCIQKUKWSQJK-OAHLLOKOSA-N 1 2 366.324 3.496 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281316996 498102587 /nfs/dbraw/zinc/10/25/87/498102587.db2.gz IMSNMFDFGBAVDR-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281316996 498102592 /nfs/dbraw/zinc/10/25/92/498102592.db2.gz IMSNMFDFGBAVDR-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO COCCCCc1ccc[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000292735074 498127214 /nfs/dbraw/zinc/12/72/14/498127214.db2.gz ZQDZRULPRLVAEH-UHFFFAOYSA-N 1 2 361.398 3.285 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000292747823 498131780 /nfs/dbraw/zinc/13/17/80/498131780.db2.gz VGZPOZHBQRZEEE-UHFFFAOYSA-N 1 2 366.215 3.394 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438278 498147700 /nfs/dbraw/zinc/14/77/00/498147700.db2.gz DNGNHSAUVFIVQI-JCGIZDLHSA-N 1 2 373.453 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289438278 498147701 /nfs/dbraw/zinc/14/77/01/498147701.db2.gz DNGNHSAUVFIVQI-JCGIZDLHSA-N 1 2 373.453 3.264 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000296745785 498179827 /nfs/dbraw/zinc/17/98/27/498179827.db2.gz UHDOKXKFFWTOMX-WFASDCNBSA-N 1 2 357.414 3.182 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000289524322 498179989 /nfs/dbraw/zinc/17/99/89/498179989.db2.gz LMPBGDMVZFWRQB-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000289524322 498179995 /nfs/dbraw/zinc/17/99/95/498179995.db2.gz LMPBGDMVZFWRQB-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301726379 498240681 /nfs/dbraw/zinc/24/06/81/498240681.db2.gz ANYLTXCFEMHPEN-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000301735111 498244235 /nfs/dbraw/zinc/24/42/35/498244235.db2.gz ZPMZRGYHFOBXML-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000360324907 498265629 /nfs/dbraw/zinc/26/56/29/498265629.db2.gz ZAWVWSJQSOLTAV-AWEZNQCLSA-N 1 2 374.828 3.146 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000360324907 498265632 /nfs/dbraw/zinc/26/56/32/498265632.db2.gz ZAWVWSJQSOLTAV-AWEZNQCLSA-N 1 2 374.828 3.146 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3cccs3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301975086 498352098 /nfs/dbraw/zinc/35/20/98/498352098.db2.gz VREPGNKOYDUFKM-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000362085468 498462636 /nfs/dbraw/zinc/46/26/36/498462636.db2.gz GYFMCZVVBJEUPO-UHFFFAOYSA-N 1 2 370.384 3.165 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000362085468 498462643 /nfs/dbraw/zinc/46/26/43/498462643.db2.gz GYFMCZVVBJEUPO-UHFFFAOYSA-N 1 2 370.384 3.165 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286678194 498473000 /nfs/dbraw/zinc/47/30/00/498473000.db2.gz VJSBKRWFHVGPJD-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286678194 498473003 /nfs/dbraw/zinc/47/30/03/498473003.db2.gz VJSBKRWFHVGPJD-ZYHUDNBSSA-N 1 2 352.740 3.241 20 5 FGBDLO CC(=O)N(c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000282514513 498541078 /nfs/dbraw/zinc/54/10/78/498541078.db2.gz SJQOZKLGOGOZIU-UHFFFAOYSA-N 1 2 374.466 3.241 20 5 FGBDLO CC(=O)N(c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000282514513 498541082 /nfs/dbraw/zinc/54/10/82/498541082.db2.gz SJQOZKLGOGOZIU-UHFFFAOYSA-N 1 2 374.466 3.241 20 5 FGBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000293947051 498541150 /nfs/dbraw/zinc/54/11/50/498541150.db2.gz ORWWNFDMDYDKHY-KRWDZBQOSA-N 1 2 362.357 3.188 20 5 FGBDLO CCc1cc(NCc2ccc(N)[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302746192 498557105 /nfs/dbraw/zinc/55/71/05/498557105.db2.gz FPKQQNWMDGUJBO-UHFFFAOYSA-N 1 2 350.382 3.204 20 5 FGBDLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cccc1[N+](=O)[O-] ZINC000332634786 498748351 /nfs/dbraw/zinc/74/83/51/498748351.db2.gz KFXVVQRBVNNOGT-ZDUSSCGKSA-N 1 2 356.426 3.142 20 5 FGBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000283084608 498774695 /nfs/dbraw/zinc/77/46/95/498774695.db2.gz SSWBSJIBRVCXBK-GFCCVEGCSA-N 1 2 367.203 3.208 20 5 FGBDLO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000581936159 506094521 /nfs/dbraw/zinc/09/45/21/506094521.db2.gz BLYBZTRNJMGRSH-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000366704300 499040640 /nfs/dbraw/zinc/04/06/40/499040640.db2.gz RQVYVVWCBJMMQY-LBPRGKRZSA-N 1 2 350.806 3.025 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000366704300 499040644 /nfs/dbraw/zinc/04/06/44/499040644.db2.gz RQVYVVWCBJMMQY-LBPRGKRZSA-N 1 2 350.806 3.025 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000366891594 499107986 /nfs/dbraw/zinc/10/79/86/499107986.db2.gz VDKQSQRYTNHGSX-JTQLQIEISA-N 1 2 359.386 3.498 20 5 FGBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367079703 499145088 /nfs/dbraw/zinc/14/50/88/499145088.db2.gz WTEKAIMNAXHSSA-LBPRGKRZSA-N 1 2 361.377 3.187 20 5 FGBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000367079595 499145108 /nfs/dbraw/zinc/14/51/08/499145108.db2.gz VVYIUJCINDSILU-UHFFFAOYSA-N 1 2 361.377 3.239 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)n1 ZINC000370062005 499173265 /nfs/dbraw/zinc/17/32/65/499173265.db2.gz WSPUKEQQFDJLBH-UHFFFAOYSA-N 1 2 359.411 3.345 20 5 FGBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000370499536 499226323 /nfs/dbraw/zinc/22/63/23/499226323.db2.gz MXNSNLDCKDQDMS-ZETCQYMHSA-N 1 2 371.216 3.119 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1 ZINC000370851056 499261949 /nfs/dbraw/zinc/26/19/49/499261949.db2.gz ACRUYUFFIQWQHF-AWEZNQCLSA-N 1 2 352.350 3.003 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000371334639 499312204 /nfs/dbraw/zinc/31/22/04/499312204.db2.gz HEDGBHMLYHHCQV-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000371334639 499312205 /nfs/dbraw/zinc/31/22/05/499312205.db2.gz HEDGBHMLYHHCQV-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000371471373 499331567 /nfs/dbraw/zinc/33/15/67/499331567.db2.gz TXSKGQXVYKOWOG-WFASDCNBSA-N 1 2 360.439 3.173 20 5 FGBDLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002226 499355734 /nfs/dbraw/zinc/35/57/34/499355734.db2.gz PRFBLBNUEKHDPZ-ZDUSSCGKSA-N 1 2 374.832 3.169 20 5 FGBDLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002226 499355735 /nfs/dbraw/zinc/35/57/35/499355735.db2.gz PRFBLBNUEKHDPZ-ZDUSSCGKSA-N 1 2 374.832 3.169 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000373305592 499462627 /nfs/dbraw/zinc/46/26/27/499462627.db2.gz RIWFENLFSMZZMV-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000373305592 499462628 /nfs/dbraw/zinc/46/26/28/499462628.db2.gz RIWFENLFSMZZMV-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465993 499522499 /nfs/dbraw/zinc/52/24/99/499522499.db2.gz APLKTNIAZXVOAJ-ROUUACIJSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465993 499522501 /nfs/dbraw/zinc/52/25/01/499522501.db2.gz APLKTNIAZXVOAJ-ROUUACIJSA-N 1 2 370.405 3.425 20 5 FGBDLO CCOc1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000380514242 499543796 /nfs/dbraw/zinc/54/37/96/499543796.db2.gz AJCNENREROOIIL-KRWDZBQOSA-N 1 2 371.437 3.306 20 5 FGBDLO CCOc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000380514242 499543797 /nfs/dbraw/zinc/54/37/97/499543797.db2.gz AJCNENREROOIIL-KRWDZBQOSA-N 1 2 371.437 3.306 20 5 FGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)CC2 ZINC000376053264 499579072 /nfs/dbraw/zinc/57/90/72/499579072.db2.gz DEGWZZVPGVQSMD-AWEZNQCLSA-N 1 2 368.437 3.444 20 5 FGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)CC2 ZINC000376053264 499579073 /nfs/dbraw/zinc/57/90/73/499579073.db2.gz DEGWZZVPGVQSMD-AWEZNQCLSA-N 1 2 368.437 3.444 20 5 FGBDLO Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000414462937 499795318 /nfs/dbraw/zinc/79/53/18/499795318.db2.gz IJXQQXLHRHMETC-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000414494366 499798983 /nfs/dbraw/zinc/79/89/83/499798983.db2.gz KKHZNAQSLFIHHX-UHFFFAOYSA-N 1 2 374.871 3.393 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411877814 499799085 /nfs/dbraw/zinc/79/90/85/499799085.db2.gz RVMSFCDKGQFCGK-MRXNPFEDSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411877814 499799087 /nfs/dbraw/zinc/79/90/87/499799087.db2.gz RVMSFCDKGQFCGK-MRXNPFEDSA-N 1 2 372.368 3.206 20 5 FGBDLO O=C1C[C@@]2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411975261 499808020 /nfs/dbraw/zinc/80/80/20/499808020.db2.gz BFZMEKPCCAJKHS-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@@]2(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411975261 499808022 /nfs/dbraw/zinc/80/80/22/499808022.db2.gz BFZMEKPCCAJKHS-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563401 499809985 /nfs/dbraw/zinc/80/99/85/499809985.db2.gz BRKKFHMKYIQMMY-GTNSWQLSSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000414563401 499809986 /nfs/dbraw/zinc/80/99/86/499809986.db2.gz BRKKFHMKYIQMMY-GTNSWQLSSA-N 1 2 366.801 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCN(c4nccs4)CC3)c2c1 ZINC000413078260 499910859 /nfs/dbraw/zinc/91/08/59/499910859.db2.gz CBCQOZJAIHVTOV-UHFFFAOYSA-N 1 2 355.423 3.316 20 5 FGBDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413283277 499936827 /nfs/dbraw/zinc/93/68/27/499936827.db2.gz NPRILZVOOHYKCH-CQSZACIVSA-N 1 2 374.416 3.238 20 5 FGBDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413283277 499936829 /nfs/dbraw/zinc/93/68/29/499936829.db2.gz NPRILZVOOHYKCH-CQSZACIVSA-N 1 2 374.416 3.238 20 5 FGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc2n1C ZINC000573300295 506165792 /nfs/dbraw/zinc/16/57/92/506165792.db2.gz OEJNXKLXXGFVAN-UHFFFAOYSA-N 1 2 374.422 3.208 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130237 500008660 /nfs/dbraw/zinc/00/86/60/500008660.db2.gz UGCXDQVNAXGGLZ-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130237 500008663 /nfs/dbraw/zinc/00/86/63/500008663.db2.gz UGCXDQVNAXGGLZ-UONOGXRCSA-N 1 2 355.394 3.205 20 5 FGBDLO COc1cc(C[NH+]2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429410927 500072449 /nfs/dbraw/zinc/07/24/49/500072449.db2.gz SCVMVLIZZHIISG-KBPBESRZSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000430201281 500207601 /nfs/dbraw/zinc/20/76/01/500207601.db2.gz CPRIGNFRCYJRGE-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO COC1(C(F)(F)F)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000419323981 500352893 /nfs/dbraw/zinc/35/28/93/500352893.db2.gz IYJWWBNMZXXEIA-UHFFFAOYSA-N 1 2 359.304 3.279 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428358672 500499849 /nfs/dbraw/zinc/49/98/49/500499849.db2.gz DXWLCHDFWBRWRX-CYBMUJFWSA-N 1 2 374.466 3.284 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC000421020533 500556416 /nfs/dbraw/zinc/55/64/16/500556416.db2.gz NROVMIXGDRXBGT-AUUYWEPGSA-N 1 2 364.442 3.393 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@]23CCOC3)cc1OC ZINC000421020533 500556419 /nfs/dbraw/zinc/55/64/19/500556419.db2.gz NROVMIXGDRXBGT-AUUYWEPGSA-N 1 2 364.442 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@@H]3CCCO[C@H]3c3ccccc3)[nH]c2c1 ZINC000447675486 500643841 /nfs/dbraw/zinc/64/38/41/500643841.db2.gz BBWNZFIXDPGPJP-KSSFIOAISA-N 1 2 352.394 3.473 20 5 FGBDLO C[C@H]1CC[C@@]2(CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)C1 ZINC000447805795 500665778 /nfs/dbraw/zinc/66/57/78/500665778.db2.gz KJETWERZMQYWGK-OXJNMPFZSA-N 1 2 359.470 3.444 20 5 FGBDLO Cc1noc(C)c1C[C@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817771 500668878 /nfs/dbraw/zinc/66/88/78/500668878.db2.gz PSNNOOGBWNIMDL-ZDUSSCGKSA-N 1 2 374.441 3.075 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334331 500711601 /nfs/dbraw/zinc/71/16/01/500711601.db2.gz LTHWHFFJJZWKKN-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443334331 500711606 /nfs/dbraw/zinc/71/16/06/500711606.db2.gz LTHWHFFJJZWKKN-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444070147 500799370 /nfs/dbraw/zinc/79/93/70/500799370.db2.gz CMJFUGUBVZRTKD-HXUWFJFHSA-N 1 2 363.461 3.094 20 5 FGBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444070147 500799371 /nfs/dbraw/zinc/79/93/71/500799371.db2.gz CMJFUGUBVZRTKD-HXUWFJFHSA-N 1 2 363.461 3.094 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[nH+]1 ZINC000434411221 500839057 /nfs/dbraw/zinc/83/90/57/500839057.db2.gz IOUOTVPUCCQDKH-UHFFFAOYSA-N 1 2 354.370 3.392 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Br ZINC000602571369 506220851 /nfs/dbraw/zinc/22/08/51/506220851.db2.gz LAZYVZWXUXJNGC-JTQLQIEISA-N 1 2 357.233 3.309 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Br ZINC000602571369 506220858 /nfs/dbraw/zinc/22/08/58/506220858.db2.gz LAZYVZWXUXJNGC-JTQLQIEISA-N 1 2 357.233 3.309 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1Br ZINC000449486361 501014821 /nfs/dbraw/zinc/01/48/21/501014821.db2.gz UGEPWVXKPYUROE-WDZFZDKYSA-N 1 2 365.231 3.284 20 5 FGBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)c([N+](=O)[O-])n1 ZINC000602611034 506232311 /nfs/dbraw/zinc/23/23/11/506232311.db2.gz ZKALBWSBPLQBEK-SNVBAGLBSA-N 1 2 371.260 3.489 20 5 FGBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)c([N+](=O)[O-])n1 ZINC000602611034 506232315 /nfs/dbraw/zinc/23/23/15/506232315.db2.gz ZKALBWSBPLQBEK-SNVBAGLBSA-N 1 2 371.260 3.489 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067275 501067775 /nfs/dbraw/zinc/06/77/75/501067775.db2.gz AMBHMOXBVWEHLU-HBNTYKKESA-N 1 2 360.357 3.203 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067275 501067779 /nfs/dbraw/zinc/06/77/79/501067779.db2.gz AMBHMOXBVWEHLU-HBNTYKKESA-N 1 2 360.357 3.203 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441084739 501086033 /nfs/dbraw/zinc/08/60/33/501086033.db2.gz ADPUPQPEOZTTFM-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441084739 501086035 /nfs/dbraw/zinc/08/60/35/501086035.db2.gz ADPUPQPEOZTTFM-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450373475 501103722 /nfs/dbraw/zinc/10/37/22/501103722.db2.gz AEJKHULDRDSCOK-ACJLOTCBSA-N 1 2 367.409 3.436 20 5 FGBDLO CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450050987 501164761 /nfs/dbraw/zinc/16/47/61/501164761.db2.gz HGWTZJBHIFFKKM-VQIMIIECSA-N 1 2 372.425 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCC1(F)F ZINC000450735663 501197190 /nfs/dbraw/zinc/19/71/90/501197190.db2.gz GGGPXSSJTFHBMG-CQSZACIVSA-N 1 2 355.385 3.274 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829337 501214768 /nfs/dbraw/zinc/21/47/68/501214768.db2.gz MFOXLLKAMQLOTJ-SECBINFHSA-N 1 2 354.208 3.450 20 5 FGBDLO Cc1c(Br)c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450830499 501214950 /nfs/dbraw/zinc/21/49/50/501214950.db2.gz OBUYIEWXGYQJPH-IONNQARKSA-N 1 2 352.192 3.375 20 5 FGBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000450256672 501220315 /nfs/dbraw/zinc/22/03/15/501220315.db2.gz RBXWHSIMAFVVKD-AWEZNQCLSA-N 1 2 369.381 3.266 20 5 FGBDLO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000436872825 501225100 /nfs/dbraw/zinc/22/51/00/501225100.db2.gz NTHRNQGSEUWHDA-UHFFFAOYSA-N 1 2 368.393 3.069 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1Br ZINC000602653761 506247917 /nfs/dbraw/zinc/24/79/17/506247917.db2.gz OTFOGWQEXVBILK-ZDUSSCGKSA-N 1 2 361.261 3.421 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1Br ZINC000602653761 506247922 /nfs/dbraw/zinc/24/79/22/506247922.db2.gz OTFOGWQEXVBILK-ZDUSSCGKSA-N 1 2 361.261 3.421 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)Cc2cn[nH]c2)cc1OC ZINC000611668611 506251719 /nfs/dbraw/zinc/25/17/19/506251719.db2.gz RCSWPCHOCFCWAE-CYBMUJFWSA-N 1 2 362.430 3.383 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)Cc2cn[nH]c2)cc1OC ZINC000611668611 506251728 /nfs/dbraw/zinc/25/17/28/506251728.db2.gz RCSWPCHOCFCWAE-CYBMUJFWSA-N 1 2 362.430 3.383 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456240797 501480274 /nfs/dbraw/zinc/48/02/74/501480274.db2.gz CWXSKLCJOXYOBM-YJBOKZPZSA-N 1 2 352.394 3.041 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456345779 501505135 /nfs/dbraw/zinc/50/51/35/501505135.db2.gz GRDCBXUJHOWMEH-SECBINFHSA-N 1 2 356.304 3.321 20 5 FGBDLO CSCC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000452476067 501508916 /nfs/dbraw/zinc/50/89/16/501508916.db2.gz CUFPMMIYGIPBHC-UHFFFAOYSA-N 1 2 374.466 3.432 20 5 FGBDLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602672660 506257261 /nfs/dbraw/zinc/25/72/61/506257261.db2.gz ZYPCEDJRCWSBKA-CYBMUJFWSA-N 1 2 363.277 3.403 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456365724 501510592 /nfs/dbraw/zinc/51/05/92/501510592.db2.gz WDYSUVZVQZSKQZ-VIFPVBQESA-N 1 2 367.203 3.065 20 5 FGBDLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602672660 506257266 /nfs/dbraw/zinc/25/72/66/506257266.db2.gz ZYPCEDJRCWSBKA-CYBMUJFWSA-N 1 2 363.277 3.403 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456392380 501515780 /nfs/dbraw/zinc/51/57/80/501515780.db2.gz PWCVVRATORZACM-MNOVXSKESA-N 1 2 366.805 3.109 20 5 FGBDLO Cc1sc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000456739168 501590024 /nfs/dbraw/zinc/59/00/24/501590024.db2.gz YGYUMVQHUOJQSQ-VIFPVBQESA-N 1 2 374.422 3.428 20 5 FGBDLO Cc1cc(C)c(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c[nH+]1 ZINC000456852974 501610572 /nfs/dbraw/zinc/61/05/72/501610572.db2.gz XZDDTEDALCOBBY-UHFFFAOYSA-N 1 2 351.309 3.138 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000602705980 506268705 /nfs/dbraw/zinc/26/87/05/506268705.db2.gz FUFTYXSQZWNZCH-MRXNPFEDSA-N 1 2 357.366 3.222 20 5 FGBDLO CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602713163 506269800 /nfs/dbraw/zinc/26/98/00/506269800.db2.gz YYCMAEUVBFJJHG-SFHVURJKSA-N 1 2 371.437 3.075 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478056180 501868296 /nfs/dbraw/zinc/86/82/96/501868296.db2.gz TZPTUEFJDDROAY-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478056180 501868299 /nfs/dbraw/zinc/86/82/99/501868299.db2.gz TZPTUEFJDDROAY-HNNXBMFYSA-N 1 2 361.442 3.347 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)o2)c1 ZINC000485694783 501904706 /nfs/dbraw/zinc/90/47/06/501904706.db2.gz QOOOHMKSUJTISK-IBGZPJMESA-N 1 2 372.421 3.482 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)o2)c1 ZINC000485694783 501904708 /nfs/dbraw/zinc/90/47/08/501904708.db2.gz QOOOHMKSUJTISK-IBGZPJMESA-N 1 2 372.421 3.482 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468837408 502200901 /nfs/dbraw/zinc/20/09/01/502200901.db2.gz FNJCVXPEDWQENZ-QGZVFWFLSA-N 1 2 359.813 3.139 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468837408 502200907 /nfs/dbraw/zinc/20/09/07/502200907.db2.gz FNJCVXPEDWQENZ-QGZVFWFLSA-N 1 2 359.813 3.139 20 5 FGBDLO Cc1noc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C2CCOCC2)n1 ZINC000486829303 502276942 /nfs/dbraw/zinc/27/69/42/502276942.db2.gz TXGYCGSKWLVISZ-HNNXBMFYSA-N 1 2 366.805 3.197 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000599085250 506316444 /nfs/dbraw/zinc/31/64/44/506316444.db2.gz NNMDOQZTJHDIMK-UAGQMJEPSA-N 1 2 354.410 3.202 20 5 FGBDLO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000599086332 506316861 /nfs/dbraw/zinc/31/68/61/506316861.db2.gz JWVUCCLUBPBWLS-LZLYRXPVSA-N 1 2 353.382 3.170 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000476793297 502587373 /nfs/dbraw/zinc/58/73/73/502587373.db2.gz LNIVZWZCPRTSKO-UHFFFAOYSA-N 1 2 369.400 3.107 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000476793297 502587377 /nfs/dbraw/zinc/58/73/77/502587377.db2.gz LNIVZWZCPRTSKO-UHFFFAOYSA-N 1 2 369.400 3.107 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470002469 502627073 /nfs/dbraw/zinc/62/70/73/502627073.db2.gz JNRWHSMVLXTNEU-UHFFFAOYSA-N 1 2 356.426 3.064 20 5 FGBDLO CNc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000462943179 502635320 /nfs/dbraw/zinc/63/53/20/502635320.db2.gz VVFBUYRNBZHFBM-UHFFFAOYSA-N 1 2 355.329 3.214 20 5 FGBDLO CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480691292 502643656 /nfs/dbraw/zinc/64/36/56/502643656.db2.gz FACWLMSBGBLEGH-AWEZNQCLSA-N 1 2 369.347 3.220 20 5 FGBDLO O=[N+]([O-])c1c(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc2sccn21 ZINC000477036170 502655054 /nfs/dbraw/zinc/65/50/54/502655054.db2.gz VQTBISUTMYDAQZ-UHFFFAOYSA-N 1 2 366.406 3.052 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153258 502681774 /nfs/dbraw/zinc/68/17/74/502681774.db2.gz XNKPZSSLEKLRMG-UHFFFAOYSA-N 1 2 373.319 3.380 20 5 FGBDLO COC(=O)c1c(Cl)c(N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000596258204 506332070 /nfs/dbraw/zinc/33/20/70/506332070.db2.gz XERSKYHMIUYOTJ-WPRPVWTQSA-N 1 2 350.762 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)nc2c1 ZINC000463415080 502790953 /nfs/dbraw/zinc/79/09/53/502790953.db2.gz HRSNGRIWWAILCM-UHFFFAOYSA-N 1 2 351.362 3.489 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)nc2c1 ZINC000463415080 502790959 /nfs/dbraw/zinc/79/09/59/502790959.db2.gz HRSNGRIWWAILCM-UHFFFAOYSA-N 1 2 351.362 3.489 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000488821682 502819021 /nfs/dbraw/zinc/81/90/21/502819021.db2.gz VXJOHUVAQQQSIZ-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000495468845 502843767 /nfs/dbraw/zinc/84/37/67/502843767.db2.gz AXKNRWNDRNXSIP-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000495468845 502843771 /nfs/dbraw/zinc/84/37/71/502843771.db2.gz AXKNRWNDRNXSIP-UHFFFAOYSA-N 1 2 367.327 3.489 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000488991498 502855997 /nfs/dbraw/zinc/85/59/97/502855997.db2.gz HUJFYBALISHURA-ZDUSSCGKSA-N 1 2 372.356 3.314 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000488991498 502855999 /nfs/dbraw/zinc/85/59/99/502855999.db2.gz HUJFYBALISHURA-ZDUSSCGKSA-N 1 2 372.356 3.314 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c1 ZINC000593022188 506343013 /nfs/dbraw/zinc/34/30/13/506343013.db2.gz DBTYWHJTFIAMFV-HNNXBMFYSA-N 1 2 361.423 3.387 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000489407163 502949485 /nfs/dbraw/zinc/94/94/85/502949485.db2.gz SVDAAMMDKUXLEL-OAHLLOKOSA-N 1 2 360.458 3.316 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000513989821 503062034 /nfs/dbraw/zinc/06/20/34/503062034.db2.gz OYLPLHIIXDKRID-INIZCTEOSA-N 1 2 359.813 3.343 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000490091821 503107690 /nfs/dbraw/zinc/10/76/90/503107690.db2.gz VKGURHMFASJYBX-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000490091821 503107693 /nfs/dbraw/zinc/10/76/93/503107693.db2.gz VKGURHMFASJYBX-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO Cc1nn2c(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c(C)nc2s1 ZINC000507157879 503240503 /nfs/dbraw/zinc/24/05/03/503240503.db2.gz XYENOPBKAVJFPZ-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO Cc1nn2c(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c(C)nc2s1 ZINC000507157879 503240506 /nfs/dbraw/zinc/24/05/06/503240506.db2.gz XYENOPBKAVJFPZ-UHFFFAOYSA-N 1 2 357.439 3.480 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000599180789 506362789 /nfs/dbraw/zinc/36/27/89/506362789.db2.gz ZCVRRQDEJKNZJK-UHFFFAOYSA-N 1 2 371.828 3.447 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000502893767 503301591 /nfs/dbraw/zinc/30/15/91/503301591.db2.gz IUXLDMCLGKOTBM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000502893767 503301596 /nfs/dbraw/zinc/30/15/96/503301596.db2.gz IUXLDMCLGKOTBM-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000515287177 503306988 /nfs/dbraw/zinc/30/69/88/503306988.db2.gz ILCXWLWAJBDPBP-QGZVFWFLSA-N 1 2 365.389 3.470 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000515287177 503306992 /nfs/dbraw/zinc/30/69/92/503306992.db2.gz ILCXWLWAJBDPBP-QGZVFWFLSA-N 1 2 365.389 3.470 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000507637274 503335974 /nfs/dbraw/zinc/33/59/74/503335974.db2.gz OYRUFJFYCKUPOU-UHFFFAOYSA-N 1 2 371.418 3.191 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000507637274 503335978 /nfs/dbraw/zinc/33/59/78/503335978.db2.gz OYRUFJFYCKUPOU-UHFFFAOYSA-N 1 2 371.418 3.191 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492749096 503383526 /nfs/dbraw/zinc/38/35/26/503383526.db2.gz NPKLADWLKWJXPS-GOSISDBHSA-N 1 2 369.421 3.057 20 5 FGBDLO CCOc1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492749096 503383529 /nfs/dbraw/zinc/38/35/29/503383529.db2.gz NPKLADWLKWJXPS-GOSISDBHSA-N 1 2 369.421 3.057 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000596355144 506368977 /nfs/dbraw/zinc/36/89/77/506368977.db2.gz AJKQPGNVVVYGND-UHFFFAOYSA-N 1 2 356.411 3.207 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000512181847 503478554 /nfs/dbraw/zinc/47/85/54/503478554.db2.gz QRSQIJDESAGSHD-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000512181847 503478557 /nfs/dbraw/zinc/47/85/57/503478557.db2.gz QRSQIJDESAGSHD-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494708864 503598400 /nfs/dbraw/zinc/59/84/00/503598400.db2.gz MJOYNBLESJWNNX-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494708864 503598404 /nfs/dbraw/zinc/59/84/04/503598404.db2.gz MJOYNBLESJWNNX-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000536663255 503667992 /nfs/dbraw/zinc/66/79/92/503667992.db2.gz AWVJWIUGYYMFTD-MYODQAERSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000536663255 503667997 /nfs/dbraw/zinc/66/79/97/503667997.db2.gz AWVJWIUGYYMFTD-MYODQAERSA-N 1 2 350.465 3.276 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000536668505 503671379 /nfs/dbraw/zinc/67/13/79/503671379.db2.gz HHWDCKCLRSRBFA-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000536668505 503671390 /nfs/dbraw/zinc/67/13/90/503671390.db2.gz HHWDCKCLRSRBFA-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO Cc1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000546666338 503831455 /nfs/dbraw/zinc/83/14/55/503831455.db2.gz PRPOXUGPHGCXBY-UHFFFAOYSA-N 1 2 364.365 3.009 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000518230450 503931568 /nfs/dbraw/zinc/93/15/68/503931568.db2.gz CTSOVKRCUAQWDM-WKILWMFISA-N 1 2 354.410 3.072 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000541005874 503972423 /nfs/dbraw/zinc/97/24/23/503972423.db2.gz WVJMKYBPOXLVKK-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c1)O[C@@H](C)C2 ZINC000537628529 503984145 /nfs/dbraw/zinc/98/41/45/503984145.db2.gz LMEHYPPLVCTUGB-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c1)O[C@@H](C)C2 ZINC000537628529 503984152 /nfs/dbraw/zinc/98/41/52/503984152.db2.gz LMEHYPPLVCTUGB-ZDUSSCGKSA-N 1 2 354.406 3.485 20 5 FGBDLO O=[N+]([O-])c1ccccc1NCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000547107733 503985938 /nfs/dbraw/zinc/98/59/38/503985938.db2.gz OXCYYSDODGNDOH-UHFFFAOYSA-N 1 2 362.349 3.443 20 5 FGBDLO C[C@H](Cc1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000541221478 504048438 /nfs/dbraw/zinc/04/84/38/504048438.db2.gz HLRBFMTYGCGNBW-GFCCVEGCSA-N 1 2 365.480 3.107 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)cn1 ZINC000534336751 504115412 /nfs/dbraw/zinc/11/54/12/504115412.db2.gz XVESDSJGBHPJFP-UHFFFAOYSA-N 1 2 373.482 3.426 20 5 FGBDLO CCOC(=O)c1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000538084428 504129941 /nfs/dbraw/zinc/12/99/41/504129941.db2.gz LMBDPDXPACHRPH-UHFFFAOYSA-N 1 2 372.303 3.142 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000547756359 504212679 /nfs/dbraw/zinc/21/26/79/504212679.db2.gz WRMCZVLIAWUIPA-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000547756359 504212683 /nfs/dbraw/zinc/21/26/83/504212683.db2.gz WRMCZVLIAWUIPA-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)nc1OCc1ccccc1 ZINC000545202328 504394609 /nfs/dbraw/zinc/39/46/09/504394609.db2.gz OPGZXQFXZYNHTG-UHFFFAOYSA-N 1 2 367.409 3.080 20 5 FGBDLO O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535452205 504440033 /nfs/dbraw/zinc/44/00/33/504440033.db2.gz SWOGRXGNOWHKQX-GOSISDBHSA-N 1 2 363.377 3.057 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)cn1 ZINC000535785664 504544406 /nfs/dbraw/zinc/54/44/06/504544406.db2.gz NHWUTFWQKMTGOK-UHFFFAOYSA-N 1 2 359.455 3.036 20 5 FGBDLO Cc1cccn2cc(Cc3noc(-c4cc(F)cc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000545675247 504558511 /nfs/dbraw/zinc/55/85/11/504558511.db2.gz QLPGJABBCDGBJE-UHFFFAOYSA-N 1 2 353.313 3.331 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000545913614 504635609 /nfs/dbraw/zinc/63/56/09/504635609.db2.gz WYJYJMOOJXVDLI-UHFFFAOYSA-N 1 2 362.357 3.146 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000545913614 504635612 /nfs/dbraw/zinc/63/56/12/504635612.db2.gz WYJYJMOOJXVDLI-UHFFFAOYSA-N 1 2 362.357 3.146 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000556140607 504804372 /nfs/dbraw/zinc/80/43/72/504804372.db2.gz JWZDQQFTNQLDAD-UHFFFAOYSA-N 1 2 356.304 3.020 20 5 FGBDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000562395243 504805638 /nfs/dbraw/zinc/80/56/38/504805638.db2.gz VXMQIZCMQXAYIH-KBXCAEBGSA-N 1 2 364.405 3.338 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n(C(C)(C)C)n1 ZINC000562512519 504842059 /nfs/dbraw/zinc/84/20/59/504842059.db2.gz CMAIPUDVHCQGAO-UHFFFAOYSA-N 1 2 368.397 3.293 20 5 FGBDLO Cc1[nH+]c2cc(CNC(=O)c3cccc([N+](=O)[O-])c3N)ccc2n1C1CC1 ZINC000562767490 504938961 /nfs/dbraw/zinc/93/89/61/504938961.db2.gz HQGBYZVYKIUYMH-UHFFFAOYSA-N 1 2 365.393 3.100 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556858294 504997158 /nfs/dbraw/zinc/99/71/58/504997158.db2.gz KFKGSNTZBRIGTP-GOSISDBHSA-N 1 2 352.394 3.086 20 5 FGBDLO CCc1noc(CC)c1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556881238 505004362 /nfs/dbraw/zinc/00/43/62/505004362.db2.gz JJORSYLMAHBCJP-SFHVURJKSA-N 1 2 369.425 3.320 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000560526831 505115861 /nfs/dbraw/zinc/11/58/61/505115861.db2.gz HBLMMHFABKGCBH-KRWDZBQOSA-N 1 2 358.348 3.486 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000557512875 505153945 /nfs/dbraw/zinc/15/39/45/505153945.db2.gz RSXNOYDJRBLZMJ-GFCCVEGCSA-N 1 2 370.331 3.023 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000554856025 505281739 /nfs/dbraw/zinc/28/17/39/505281739.db2.gz ZGIWYQSYABUEJM-HNNXBMFYSA-N 1 2 372.322 3.381 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000554856025 505281744 /nfs/dbraw/zinc/28/17/44/505281744.db2.gz ZGIWYQSYABUEJM-HNNXBMFYSA-N 1 2 372.322 3.381 20 5 FGBDLO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000561259116 505295988 /nfs/dbraw/zinc/29/59/88/505295988.db2.gz KWKYSAFVNMOWHX-XHDPSFHLSA-N 1 2 374.268 3.449 20 5 FGBDLO O=C(Nc1c(O)cccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000552434729 505491038 /nfs/dbraw/zinc/49/10/38/505491038.db2.gz XXLLQXUPXHDYSM-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564919761 505558251 /nfs/dbraw/zinc/55/82/51/505558251.db2.gz PBVLBBSESWTGHF-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564919761 505558255 /nfs/dbraw/zinc/55/82/55/505558255.db2.gz PBVLBBSESWTGHF-ZDUSSCGKSA-N 1 2 360.801 3.071 20 5 FGBDLO CCc1cc(N2C[C@@H](C)C(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596447744 506408667 /nfs/dbraw/zinc/40/86/67/506408667.db2.gz RHXKFUWRMOKSGD-CHWSQXEVSA-N 1 2 354.410 3.276 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000589272709 506503833 /nfs/dbraw/zinc/50/38/33/506503833.db2.gz OLQRNJWKTIPVJC-GOEBONIOSA-N 1 2 367.833 3.076 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000589272709 506503842 /nfs/dbraw/zinc/50/38/42/506503842.db2.gz OLQRNJWKTIPVJC-GOEBONIOSA-N 1 2 367.833 3.076 20 5 FGBDLO CC(C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000589319139 506516083 /nfs/dbraw/zinc/51/60/83/506516083.db2.gz WLATVNZYUFJACY-UHFFFAOYSA-N 1 2 370.137 3.333 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC000589497248 506568894 /nfs/dbraw/zinc/56/88/94/506568894.db2.gz IZAPRQSZUFBKNJ-ZDUSSCGKSA-N 1 2 356.378 3.337 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC000589497248 506568906 /nfs/dbraw/zinc/56/89/06/506568906.db2.gz IZAPRQSZUFBKNJ-ZDUSSCGKSA-N 1 2 356.378 3.337 20 5 FGBDLO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nnc2ccccn21 ZINC000612463209 506587799 /nfs/dbraw/zinc/58/77/99/506587799.db2.gz DIALJHZVJRNTEJ-KRWDZBQOSA-N 1 2 366.381 3.266 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608959764 506752858 /nfs/dbraw/zinc/75/28/58/506752858.db2.gz PJGWARZRJSMWJL-UHFFFAOYSA-N 1 2 366.333 3.008 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233210 506821375 /nfs/dbraw/zinc/82/13/75/506821375.db2.gz BNRXBAJGQVVBFX-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233210 506821381 /nfs/dbraw/zinc/82/13/81/506821381.db2.gz BNRXBAJGQVVBFX-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000600186011 506829232 /nfs/dbraw/zinc/82/92/32/506829232.db2.gz XFNSQBJDEKMZLF-TXEJJXNPSA-N 1 2 364.352 3.144 20 5 FGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000600186010 506829581 /nfs/dbraw/zinc/82/95/81/506829581.db2.gz XFNSQBJDEKMZLF-RYUDHWBXSA-N 1 2 364.352 3.144 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000609441233 506881160 /nfs/dbraw/zinc/88/11/60/506881160.db2.gz AIWIDNMRUNMDTF-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000609442165 506881275 /nfs/dbraw/zinc/88/12/75/506881275.db2.gz ZNPFDUSGHOFDFN-DAXSKMNVSA-N 1 2 369.396 3.205 20 5 FGBDLO CC(C)(C)n1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000594513794 507164831 /nfs/dbraw/zinc/16/48/31/507164831.db2.gz FXTZZWMONNXZBP-UHFFFAOYSA-N 1 2 372.454 3.355 20 5 FGBDLO C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000597941440 507190129 /nfs/dbraw/zinc/19/01/29/507190129.db2.gz PUOLFVXTRVMFDC-AWEZNQCLSA-N 1 2 354.410 3.010 20 5 FGBDLO CN(CCO)c1ccc(N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH+]c1 ZINC000591348158 507214012 /nfs/dbraw/zinc/21/40/12/507214012.db2.gz AGQUORCNUXAJST-GOSISDBHSA-N 1 2 356.426 3.298 20 5 FGBDLO COc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367296 507214224 /nfs/dbraw/zinc/21/42/24/507214224.db2.gz VPIFQHVKIUFTQN-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000610370757 507217400 /nfs/dbraw/zinc/21/74/00/507217400.db2.gz DRJGXFDWGIVUGN-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601036598 507236805 /nfs/dbraw/zinc/23/68/05/507236805.db2.gz UKPBKFCHBOFIQQ-QGZVFWFLSA-N 1 2 354.410 3.077 20 5 FGBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610614684 507318994 /nfs/dbraw/zinc/31/89/94/507318994.db2.gz AEWKVSUKKIGWCP-LJQANCHMSA-N 1 2 370.405 3.136 20 5 FGBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610614684 507318998 /nfs/dbraw/zinc/31/89/98/507318998.db2.gz AEWKVSUKKIGWCP-LJQANCHMSA-N 1 2 370.405 3.136 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000598366882 507394444 /nfs/dbraw/zinc/39/44/44/507394444.db2.gz NFFGMOQFKGJPLR-DNOWBOINSA-N 1 2 360.389 3.427 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000595466818 507511350 /nfs/dbraw/zinc/51/13/50/507511350.db2.gz NDAWCSPTYXIJBF-CYBMUJFWSA-N 1 2 374.290 3.456 20 5 FGBDLO CSc1cccc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000614444301 507516359 /nfs/dbraw/zinc/51/63/59/507516359.db2.gz GLQCSNFUODJAOS-UHFFFAOYSA-N 1 2 357.435 3.062 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000601968230 507533977 /nfs/dbraw/zinc/53/39/77/507533977.db2.gz DDPDDQAMJOUDAF-LBPRGKRZSA-N 1 2 352.284 3.052 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000601968230 507533982 /nfs/dbraw/zinc/53/39/82/507533982.db2.gz DDPDDQAMJOUDAF-LBPRGKRZSA-N 1 2 352.284 3.052 20 5 FGBDLO O=C(C[NH2+][C@@H](C(F)F)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598650921 507535056 /nfs/dbraw/zinc/53/50/56/507535056.db2.gz SRVYKJVXLBIQKC-QGZVFWFLSA-N 1 2 367.396 3.288 20 5 FGBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611272316 507597062 /nfs/dbraw/zinc/59/70/62/507597062.db2.gz WQVZAZCHYDIMEE-FQEVSTJZSA-N 1 2 370.405 3.248 20 5 FGBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611272316 507597069 /nfs/dbraw/zinc/59/70/69/507597069.db2.gz WQVZAZCHYDIMEE-FQEVSTJZSA-N 1 2 370.405 3.248 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595759213 507671691 /nfs/dbraw/zinc/67/16/91/507671691.db2.gz JTQXGQJPRYAWIC-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595759213 507671693 /nfs/dbraw/zinc/67/16/93/507671693.db2.gz JTQXGQJPRYAWIC-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000595819408 507699902 /nfs/dbraw/zinc/69/99/02/507699902.db2.gz MZRSEAJJRGAMDD-GXFFZTMASA-N 1 2 360.332 3.245 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000595819408 507699905 /nfs/dbraw/zinc/69/99/05/507699905.db2.gz MZRSEAJJRGAMDD-GXFFZTMASA-N 1 2 360.332 3.245 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521374 507720933 /nfs/dbraw/zinc/72/09/33/507720933.db2.gz BGZZVWBEJBKIAM-PWSUYJOCSA-N 1 2 362.348 3.427 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521374 507720937 /nfs/dbraw/zinc/72/09/37/507720937.db2.gz BGZZVWBEJBKIAM-PWSUYJOCSA-N 1 2 362.348 3.427 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602485638 507721559 /nfs/dbraw/zinc/72/15/59/507721559.db2.gz KZATWPKIYIAPOT-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602485638 507721565 /nfs/dbraw/zinc/72/15/65/507721565.db2.gz KZATWPKIYIAPOT-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc(N4CCCC4)nc3)nc2c1 ZINC000602507994 507731587 /nfs/dbraw/zinc/73/15/87/507731587.db2.gz KORYBBMXUVAVGN-UHFFFAOYSA-N 1 2 353.382 3.021 20 5 FGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000068962854 695945881 /nfs/dbraw/zinc/94/58/81/695945881.db2.gz MWBRBMOCHNQFBW-UHFFFAOYSA-N 1 2 361.789 3.423 20 5 FGBDLO O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078301805 700276368 /nfs/dbraw/zinc/27/63/68/700276368.db2.gz LBVKHSLZIVVLGO-SNVBAGLBSA-N 1 2 356.165 3.131 20 5 FGBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093815928 700455010 /nfs/dbraw/zinc/45/50/10/700455010.db2.gz ZXVFWHZMCKOQPC-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093815928 700455012 /nfs/dbraw/zinc/45/50/12/700455012.db2.gz ZXVFWHZMCKOQPC-UHFFFAOYSA-N 1 2 368.480 3.190 20 5 FGBDLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512459 700586096 /nfs/dbraw/zinc/58/60/96/700586096.db2.gz KIWUVFDAVRHFIW-WCQYABFASA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512459 700586097 /nfs/dbraw/zinc/58/60/97/700586097.db2.gz KIWUVFDAVRHFIW-WCQYABFASA-N 1 2 365.231 3.389 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000152529903 704965600 /nfs/dbraw/zinc/96/56/00/704965600.db2.gz VAONTALCCXQHGQ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000152529903 704965603 /nfs/dbraw/zinc/96/56/03/704965603.db2.gz VAONTALCCXQHGQ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000174833876 705522407 /nfs/dbraw/zinc/52/24/07/705522407.db2.gz CIFOVSSALOQXSI-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000174833876 705522409 /nfs/dbraw/zinc/52/24/09/705522409.db2.gz CIFOVSSALOQXSI-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000177788010 705640559 /nfs/dbraw/zinc/64/05/59/705640559.db2.gz ARVRMTTUTXTJIO-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181732525 705806943 /nfs/dbraw/zinc/80/69/43/705806943.db2.gz ZCRVSMAQJLZZPQ-VIFPVBQESA-N 1 2 351.765 3.337 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374773290 713943180 /nfs/dbraw/zinc/94/31/80/713943180.db2.gz CJQHOUMHYLLHDZ-GFCCVEGCSA-N 1 2 351.815 3.096 20 5 FGBDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000616786213 714599075 /nfs/dbraw/zinc/59/90/75/714599075.db2.gz PDYFPIBXCMUELK-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000616786213 714599079 /nfs/dbraw/zinc/59/90/79/714599079.db2.gz PDYFPIBXCMUELK-UHFFFAOYSA-N 1 2 350.806 3.140 20 5 FGBDLO Nc1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000804328624 724505084 /nfs/dbraw/zinc/50/50/84/724505084.db2.gz TWFPSRUXIWVWHU-UHFFFAOYSA-N 1 2 352.847 3.214 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000804381864 724510089 /nfs/dbraw/zinc/51/00/89/724510089.db2.gz UCEFRXWYXZJBPQ-UHFFFAOYSA-N 1 2 352.379 3.397 20 5 FGBDLO Cc1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1Br ZINC000804618048 724534425 /nfs/dbraw/zinc/53/44/25/724534425.db2.gz LQSUGSIOSGWODQ-UHFFFAOYSA-N 1 2 351.204 3.279 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000765488966 723517115 /nfs/dbraw/zinc/51/71/15/723517115.db2.gz AIIZIPJCVPUCOM-LBPRGKRZSA-N 1 2 351.204 3.395 20 5 FGBDLO C[C@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795400798 723588263 /nfs/dbraw/zinc/58/82/63/723588263.db2.gz MKIOOWJCZAKWMU-JTQLQIEISA-N 1 2 368.231 3.003 20 5 FGBDLO C[C@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795400798 723588267 /nfs/dbraw/zinc/58/82/67/723588267.db2.gz MKIOOWJCZAKWMU-JTQLQIEISA-N 1 2 368.231 3.003 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796556203 723643590 /nfs/dbraw/zinc/64/35/90/723643590.db2.gz VTKSSRMWWWEHSO-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796556203 723643592 /nfs/dbraw/zinc/64/35/92/723643592.db2.gz VTKSSRMWWWEHSO-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796718688 723651784 /nfs/dbraw/zinc/65/17/84/723651784.db2.gz XVYDTBRRWQGPCJ-ZDUSSCGKSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796718688 723651786 /nfs/dbraw/zinc/65/17/86/723651786.db2.gz XVYDTBRRWQGPCJ-ZDUSSCGKSA-N 1 2 353.394 3.223 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778173828 724306710 /nfs/dbraw/zinc/30/67/10/724306710.db2.gz YPKQXWQFFRBROR-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778173828 724306712 /nfs/dbraw/zinc/30/67/12/724306712.db2.gz YPKQXWQFFRBROR-CQSZACIVSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(F)c1 ZINC000788843229 725090999 /nfs/dbraw/zinc/09/09/99/725090999.db2.gz MORJOSHSPFIEHV-CQSZACIVSA-N 1 2 356.369 3.033 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805774365 725093855 /nfs/dbraw/zinc/09/38/55/725093855.db2.gz ILSYDCHJCKLSGG-ZDUSSCGKSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805774365 725093858 /nfs/dbraw/zinc/09/38/58/725093858.db2.gz ILSYDCHJCKLSGG-ZDUSSCGKSA-N 1 2 353.394 3.225 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815634319 727087953 /nfs/dbraw/zinc/08/79/53/727087953.db2.gz IGYLFGNZBSMCKT-BDAKNGLRSA-N 1 2 366.219 3.141 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820623938 729011491 /nfs/dbraw/zinc/01/14/91/729011491.db2.gz IDDAXKFILWJDEC-UHFFFAOYSA-N 1 2 368.796 3.314 20 5 FGBDLO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824454301 729340099 /nfs/dbraw/zinc/34/00/99/729340099.db2.gz BGQVWSJYDHPBQD-JTQLQIEISA-N 1 2 374.224 3.176 20 5 FGBDLO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000824454301 729340101 /nfs/dbraw/zinc/34/01/01/729340101.db2.gz BGQVWSJYDHPBQD-JTQLQIEISA-N 1 2 374.224 3.176 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000826731428 729413382 /nfs/dbraw/zinc/41/33/82/729413382.db2.gz VGVMRPHMHGHHGV-QGZVFWFLSA-N 1 2 357.435 3.233 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000826731428 729413384 /nfs/dbraw/zinc/41/33/84/729413384.db2.gz VGVMRPHMHGHHGV-QGZVFWFLSA-N 1 2 357.435 3.233 20 5 FGBDLO O=C(OC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835206906 729867835 /nfs/dbraw/zinc/86/78/35/729867835.db2.gz VPJDALLLKCFQSX-SNVBAGLBSA-N 1 2 356.165 3.131 20 5 FGBDLO O=C(OC[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835391807 729885190 /nfs/dbraw/zinc/88/51/90/729885190.db2.gz KFTUJWIUFWTJNB-LLVKDONJSA-N 1 2 351.309 3.373 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511961 731716145 /nfs/dbraw/zinc/71/61/45/731716145.db2.gz WMZRRASBKBPGDP-MNOVXSKESA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511961 731716148 /nfs/dbraw/zinc/71/61/48/731716148.db2.gz WMZRRASBKBPGDP-MNOVXSKESA-N 1 2 355.320 3.084 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)ccc1Cl ZINC000856788754 732061100 /nfs/dbraw/zinc/06/11/00/732061100.db2.gz SEQSUZFRVWBGAN-HNNXBMFYSA-N 1 2 366.826 3.008 20 5 FGBDLO O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857373765 732124782 /nfs/dbraw/zinc/12/47/82/732124782.db2.gz LPWPGESRRVONIH-NSHDSACASA-N 1 2 369.208 3.094 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC2(CCOCC2)O1 ZINC000878207293 736789403 /nfs/dbraw/zinc/78/94/03/736789403.db2.gz IPDPIAUYSKFDCW-OAHLLOKOSA-N 1 2 354.834 3.408 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC2(CCOCC2)O1 ZINC000878207293 736789407 /nfs/dbraw/zinc/78/94/07/736789407.db2.gz IPDPIAUYSKFDCW-OAHLLOKOSA-N 1 2 354.834 3.408 20 5 FGBDLO Cc1nn(C)c(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1Cl ZINC000922333658 758895042 /nfs/dbraw/zinc/89/50/42/758895042.db2.gz UWVYZQRDIZYHJO-UHFFFAOYSA-N 1 2 373.638 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000929853278 760470516 /nfs/dbraw/zinc/47/05/16/760470516.db2.gz ICSPRLXQOKGLEZ-ZIAGYGMSSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000929853278 760470522 /nfs/dbraw/zinc/47/05/22/760470522.db2.gz ICSPRLXQOKGLEZ-ZIAGYGMSSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)nc2c1 ZINC000931910915 761002100 /nfs/dbraw/zinc/00/21/00/761002100.db2.gz GVWZFUZSYQAYIV-CYBMUJFWSA-N 1 2 358.295 3.338 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)nc2c1 ZINC000931910915 761002111 /nfs/dbraw/zinc/00/21/11/761002111.db2.gz GVWZFUZSYQAYIV-CYBMUJFWSA-N 1 2 358.295 3.338 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000567965557 505584884 /nfs/dbraw/zinc/58/48/84/505584884.db2.gz ORQIETPZQRUTDR-CYBMUJFWSA-N 1 2 354.410 3.022 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000567965557 505584890 /nfs/dbraw/zinc/58/48/90/505584890.db2.gz ORQIETPZQRUTDR-CYBMUJFWSA-N 1 2 354.410 3.022 20 5 FGBDLO COc1cc(C)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000576795779 505595756 /nfs/dbraw/zinc/59/57/56/505595756.db2.gz LWQFBDBIPPAKOP-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO COc1cc(C)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000576795779 505595760 /nfs/dbraw/zinc/59/57/60/505595760.db2.gz LWQFBDBIPPAKOP-UHFFFAOYSA-N 1 2 358.394 3.315 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC(C3CCC3)C2)c1 ZINC000579774532 505617082 /nfs/dbraw/zinc/61/70/82/505617082.db2.gz XCKSNPNRTFARTA-UHFFFAOYSA-N 1 2 372.206 3.431 20 5 FGBDLO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000028694730 493798525 /nfs/dbraw/zinc/79/85/25/493798525.db2.gz PTYXMNYUTXBORV-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1c[nH+]c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccn12 ZINC000571223162 505682943 /nfs/dbraw/zinc/68/29/43/505682943.db2.gz AFIAZAVIOQJHPJ-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000030028983 493875929 /nfs/dbraw/zinc/87/59/29/493875929.db2.gz XPHJCWYSGCQAIB-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000030028983 493875931 /nfs/dbraw/zinc/87/59/31/493875931.db2.gz XPHJCWYSGCQAIB-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049637105 493877757 /nfs/dbraw/zinc/87/77/57/493877757.db2.gz PRRTUDGRSKSEJR-UHFFFAOYSA-N 1 2 374.360 3.219 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058820344 493887026 /nfs/dbraw/zinc/88/70/26/493887026.db2.gz KOAHUHOGPMFVPC-GOSISDBHSA-N 1 2 371.462 3.001 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000060759882 493954059 /nfs/dbraw/zinc/95/40/59/493954059.db2.gz ZKTFSQGBXNXFQL-UHFFFAOYSA-N 1 2 362.817 3.419 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000051405496 493967612 /nfs/dbraw/zinc/96/76/12/493967612.db2.gz DKDXIJGIKYCMJR-UHFFFAOYSA-N 1 2 367.449 3.424 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c(C)o1 ZINC000052242649 494013623 /nfs/dbraw/zinc/01/36/23/494013623.db2.gz GVAHQXBCAXNLPS-UHFFFAOYSA-N 1 2 357.410 3.071 20 5 FGBDLO Cc1cccn2cc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)[nH+]c12 ZINC000084776351 494097459 /nfs/dbraw/zinc/09/74/59/494097459.db2.gz BEVXWTAXHFDKJH-UHFFFAOYSA-N 1 2 361.361 3.280 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000086233031 494145563 /nfs/dbraw/zinc/14/55/63/494145563.db2.gz FESGXIGRXYGVFZ-LBPRGKRZSA-N 1 2 359.382 3.361 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000086233031 494145567 /nfs/dbraw/zinc/14/55/67/494145567.db2.gz FESGXIGRXYGVFZ-LBPRGKRZSA-N 1 2 359.382 3.361 20 5 FGBDLO CCOc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000010896443 494164234 /nfs/dbraw/zinc/16/42/34/494164234.db2.gz KFNKYBAARGZQFV-UHFFFAOYSA-N 1 2 370.365 3.439 20 5 FGBDLO CCOc1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000010896443 494164235 /nfs/dbraw/zinc/16/42/35/494164235.db2.gz KFNKYBAARGZQFV-UHFFFAOYSA-N 1 2 370.365 3.439 20 5 FGBDLO Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000044633528 494370714 /nfs/dbraw/zinc/37/07/14/494370714.db2.gz KWFJAALYWOMUEP-HNNXBMFYSA-N 1 2 367.365 3.054 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000016632798 494397830 /nfs/dbraw/zinc/39/78/30/494397830.db2.gz UXTKZBXDYMCUOG-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000016632798 494397835 /nfs/dbraw/zinc/39/78/35/494397835.db2.gz UXTKZBXDYMCUOG-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000018235969 494430627 /nfs/dbraw/zinc/43/06/27/494430627.db2.gz HTWVMSDQEIIFHG-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056403029 494500994 /nfs/dbraw/zinc/50/09/94/494500994.db2.gz ATNQQASQOFKFBR-UHFFFAOYSA-N 1 2 369.768 3.307 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000091211771 494562057 /nfs/dbraw/zinc/56/20/57/494562057.db2.gz NUAUGKFVDUMXKI-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080007142 494568859 /nfs/dbraw/zinc/56/88/59/494568859.db2.gz CDCUWXBDNMIKKS-AWEZNQCLSA-N 1 2 369.425 3.019 20 5 FGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000074727203 494583149 /nfs/dbraw/zinc/58/31/49/494583149.db2.gz QHPPTMULAJNBCV-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000024949590 494683386 /nfs/dbraw/zinc/68/33/86/494683386.db2.gz SFQGFPFWQDIVAH-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000024949590 494683391 /nfs/dbraw/zinc/68/33/91/494683391.db2.gz SFQGFPFWQDIVAH-UHFFFAOYSA-N 1 2 350.321 3.372 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116274177 494750854 /nfs/dbraw/zinc/75/08/54/494750854.db2.gz BFGLZEZDAHRQTL-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO C[N@H+](CCOc1ccccc1F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929899 494791109 /nfs/dbraw/zinc/79/11/09/494791109.db2.gz QMVPWGJVWCVJAA-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO C[N@@H+](CCOc1ccccc1F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929899 494791115 /nfs/dbraw/zinc/79/11/15/494791115.db2.gz QMVPWGJVWCVJAA-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO Cc1cccc(OCC[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025929951 494791299 /nfs/dbraw/zinc/79/12/99/494791299.db2.gz WBCXETGLRGMKOL-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cc1cccc(OCC[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025929951 494791303 /nfs/dbraw/zinc/79/13/03/494791303.db2.gz WBCXETGLRGMKOL-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349975 494821491 /nfs/dbraw/zinc/82/14/91/494821491.db2.gz FDQNMPQTYQAMJN-ZDUSSCGKSA-N 1 2 370.409 3.012 20 5 FGBDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349975 494821492 /nfs/dbraw/zinc/82/14/92/494821492.db2.gz FDQNMPQTYQAMJN-ZDUSSCGKSA-N 1 2 370.409 3.012 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349218 494821651 /nfs/dbraw/zinc/82/16/51/494821651.db2.gz HQZLUNGRYMPVAD-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349218 494821656 /nfs/dbraw/zinc/82/16/56/494821656.db2.gz HQZLUNGRYMPVAD-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO C[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000116877411 494865102 /nfs/dbraw/zinc/86/51/02/494865102.db2.gz XOYCICHHUADUKG-AWEZNQCLSA-N 1 2 359.451 3.218 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132471386 494879817 /nfs/dbraw/zinc/87/98/17/494879817.db2.gz FYIDENUNCHIRCB-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132471386 494879820 /nfs/dbraw/zinc/87/98/20/494879820.db2.gz FYIDENUNCHIRCB-UHFFFAOYSA-N 1 2 361.423 3.052 20 5 FGBDLO CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000117212806 494900527 /nfs/dbraw/zinc/90/05/27/494900527.db2.gz GLHNRTLNHQDBJH-ZIAGYGMSSA-N 1 2 360.439 3.185 20 5 FGBDLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122135483 494929106 /nfs/dbraw/zinc/92/91/06/494929106.db2.gz PTDPFAOKZNKMSP-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000110116743 494950338 /nfs/dbraw/zinc/95/03/38/494950338.db2.gz SXMIIQHKEMVPEX-KRWDZBQOSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000110116743 494950343 /nfs/dbraw/zinc/95/03/43/494950343.db2.gz SXMIIQHKEMVPEX-KRWDZBQOSA-N 1 2 371.441 3.129 20 5 FGBDLO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000134241327 495125930 /nfs/dbraw/zinc/12/59/30/495125930.db2.gz ZEPWFKGOJVQLQR-OAHLLOKOSA-N 1 2 367.327 3.045 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000128630825 495127146 /nfs/dbraw/zinc/12/71/46/495127146.db2.gz AQPDKGGCHRGOMF-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000128652904 495130293 /nfs/dbraw/zinc/13/02/93/495130293.db2.gz OQDSEAXTXXFPHP-UHFFFAOYSA-N 1 2 373.478 3.106 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119779235 495239025 /nfs/dbraw/zinc/23/90/25/495239025.db2.gz CHQPPHMTXNZVRM-HNNXBMFYSA-N 1 2 368.842 3.124 20 5 FGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120289438 495344201 /nfs/dbraw/zinc/34/42/01/495344201.db2.gz KSRIWUBOZXGPPD-INIZCTEOSA-N 1 2 357.414 3.264 20 5 FGBDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000114674385 495407680 /nfs/dbraw/zinc/40/76/80/495407680.db2.gz XRXGIJPNJFEVBM-UHFFFAOYSA-N 1 2 356.407 3.423 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120712744 495441289 /nfs/dbraw/zinc/44/12/89/495441289.db2.gz NKJSAHLUFPSAJX-LBPRGKRZSA-N 1 2 362.817 3.077 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCCc1ccccc1 ZINC000130815178 495449945 /nfs/dbraw/zinc/44/99/45/495449945.db2.gz YVXGTQWQLCXTFG-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCCc1ccccc1 ZINC000130815178 495449947 /nfs/dbraw/zinc/44/99/47/495449947.db2.gz YVXGTQWQLCXTFG-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000125543182 495460855 /nfs/dbraw/zinc/46/08/55/495460855.db2.gz FSRNHNPCQFBLNP-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000138462403 495462206 /nfs/dbraw/zinc/46/22/06/495462206.db2.gz MPOZHCVZZVWVNA-GFCCVEGCSA-N 1 2 372.385 3.378 20 5 FGBDLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000140438966 495495523 /nfs/dbraw/zinc/49/55/23/495495523.db2.gz FPUANEYQSLSPCL-AWEZNQCLSA-N 1 2 370.247 3.416 20 5 FGBDLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000140438966 495495526 /nfs/dbraw/zinc/49/55/26/495495526.db2.gz FPUANEYQSLSPCL-AWEZNQCLSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131254783 495512355 /nfs/dbraw/zinc/51/23/55/495512355.db2.gz SXDJNMNNQRDGMF-HOTGVXAUSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000131254783 495512361 /nfs/dbraw/zinc/51/23/61/495512361.db2.gz SXDJNMNNQRDGMF-HOTGVXAUSA-N 1 2 367.449 3.261 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)n1 ZINC000176226172 495553522 /nfs/dbraw/zinc/55/35/22/495553522.db2.gz UHAFQTWGKBXZSE-HNNXBMFYSA-N 1 2 368.397 3.069 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)n1 ZINC000176226172 495553527 /nfs/dbraw/zinc/55/35/27/495553527.db2.gz UHAFQTWGKBXZSE-HNNXBMFYSA-N 1 2 368.397 3.069 20 5 FGBDLO COc1cccc2c1CC[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000182701110 495669059 /nfs/dbraw/zinc/66/90/59/495669059.db2.gz CMJURZGWQHLTLW-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1cccc2c1CC[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000182701110 495669065 /nfs/dbraw/zinc/66/90/65/495669065.db2.gz CMJURZGWQHLTLW-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] ZINC000179677246 495688158 /nfs/dbraw/zinc/68/81/58/495688158.db2.gz CYDMKFKHRNJVDN-CYBMUJFWSA-N 1 2 352.394 3.001 20 5 FGBDLO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000180046271 495835772 /nfs/dbraw/zinc/83/57/72/495835772.db2.gz ARTGVLYGAOVCTH-UHFFFAOYSA-N 1 2 368.393 3.069 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000577871162 505809421 /nfs/dbraw/zinc/80/94/21/505809421.db2.gz JURMSBVKWOOJOJ-AWEZNQCLSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000577871162 505809425 /nfs/dbraw/zinc/80/94/25/505809425.db2.gz JURMSBVKWOOJOJ-AWEZNQCLSA-N 1 2 357.385 3.470 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160009836 495862286 /nfs/dbraw/zinc/86/22/86/495862286.db2.gz COEDXUDJJNWSIA-LLVKDONJSA-N 1 2 361.789 3.044 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186151737 495875021 /nfs/dbraw/zinc/87/50/21/495875021.db2.gz HYCSNJQQUWGLBM-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186151737 495875027 /nfs/dbraw/zinc/87/50/27/495875027.db2.gz HYCSNJQQUWGLBM-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000174246691 495880796 /nfs/dbraw/zinc/88/07/96/495880796.db2.gz KOTUDPWHOUJXGB-UHFFFAOYSA-N 1 2 355.394 3.077 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000183298195 495920189 /nfs/dbraw/zinc/92/01/89/495920189.db2.gz XVEUGDHYMPDCMM-VMEIHUARSA-N 1 2 368.437 3.213 20 5 FGBDLO Cc1csc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)n1 ZINC000174541568 496002723 /nfs/dbraw/zinc/00/27/23/496002723.db2.gz KNGFQBGPGXWOLO-OAHLLOKOSA-N 1 2 361.423 3.467 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183764824 496108616 /nfs/dbraw/zinc/10/86/16/496108616.db2.gz SDFBKGHQIUSEJN-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO Cn1c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000180879424 496183822 /nfs/dbraw/zinc/18/38/22/496183822.db2.gz FMOICWRGVUWEOO-UHFFFAOYSA-N 1 2 351.366 3.193 20 5 FGBDLO Cc1csc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000172274012 496238307 /nfs/dbraw/zinc/23/83/07/496238307.db2.gz XBCWNERACWWHOT-UHFFFAOYSA-N 1 2 371.422 3.211 20 5 FGBDLO O=C(NC1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172463584 496306621 /nfs/dbraw/zinc/30/66/21/496306621.db2.gz FMQJXIZGRBRRGZ-UHFFFAOYSA-N 1 2 366.352 3.339 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184276595 496315590 /nfs/dbraw/zinc/31/55/90/496315590.db2.gz AUIXURUEHDBLIG-WDEREUQCSA-N 1 2 364.427 3.046 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000153156639 496369336 /nfs/dbraw/zinc/36/93/36/496369336.db2.gz UFLFOLOEDPVKDF-YJBOKZPZSA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000153156639 496369340 /nfs/dbraw/zinc/36/93/40/496369340.db2.gz UFLFOLOEDPVKDF-YJBOKZPZSA-N 1 2 357.454 3.134 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2cc(F)ccc2C1 ZINC000580813545 505844112 /nfs/dbraw/zinc/84/41/12/505844112.db2.gz DZYKFQIFKNOIBU-UHFFFAOYSA-N 1 2 371.412 3.129 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000580800592 505840556 /nfs/dbraw/zinc/84/05/56/505840556.db2.gz MTSARSQFCCYUTA-IBGZPJMESA-N 1 2 360.410 3.085 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153266985 496403078 /nfs/dbraw/zinc/40/30/78/496403078.db2.gz WXPQEQZAHPARSE-CYBMUJFWSA-N 1 2 369.421 3.372 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153266985 496403084 /nfs/dbraw/zinc/40/30/84/496403084.db2.gz WXPQEQZAHPARSE-CYBMUJFWSA-N 1 2 369.421 3.372 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153349547 496427682 /nfs/dbraw/zinc/42/76/82/496427682.db2.gz NKSRXBBIYZTSQT-UONOGXRCSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153349547 496427683 /nfs/dbraw/zinc/42/76/83/496427683.db2.gz NKSRXBBIYZTSQT-UONOGXRCSA-N 1 2 371.412 3.358 20 5 FGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000163165903 496474543 /nfs/dbraw/zinc/47/45/43/496474543.db2.gz RHXGRNOTHLDZQG-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184670656 496486934 /nfs/dbraw/zinc/48/69/34/496486934.db2.gz IMNXNVBSBMFQDI-UHFFFAOYSA-N 1 2 365.821 3.100 20 5 FGBDLO Cc1csc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000163317231 496497995 /nfs/dbraw/zinc/49/79/95/496497995.db2.gz NHOWCBFSSGAKBC-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181675501 496498632 /nfs/dbraw/zinc/49/86/32/496498632.db2.gz BFGUEEWHUGJNOD-ZDUSSCGKSA-N 1 2 366.364 3.135 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181675501 496498636 /nfs/dbraw/zinc/49/86/36/496498636.db2.gz BFGUEEWHUGJNOD-ZDUSSCGKSA-N 1 2 366.364 3.135 20 5 FGBDLO CCOCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000178693266 496543397 /nfs/dbraw/zinc/54/33/97/496543397.db2.gz RGBBHJKJRHBJDU-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000580863309 505854699 /nfs/dbraw/zinc/85/46/99/505854699.db2.gz UCXKYDJUIFJUPP-NSHDSACASA-N 1 2 357.414 3.294 20 5 FGBDLO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000580863309 505854702 /nfs/dbraw/zinc/85/47/02/505854702.db2.gz UCXKYDJUIFJUPP-NSHDSACASA-N 1 2 357.414 3.294 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(F)cc3[N+](=O)[O-])c2cc1C ZINC000153894187 496616150 /nfs/dbraw/zinc/61/61/50/496616150.db2.gz IEDGBAJWTQOMAF-AWEZNQCLSA-N 1 2 359.357 3.140 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000158076445 496622173 /nfs/dbraw/zinc/62/21/73/496622173.db2.gz FXKFQJHEJPJZPR-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000158076445 496622179 /nfs/dbraw/zinc/62/21/79/496622179.db2.gz FXKFQJHEJPJZPR-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000188322599 496752754 /nfs/dbraw/zinc/75/27/54/496752754.db2.gz NPWDIJSRQUXOJG-SNVBAGLBSA-N 1 2 361.261 3.170 20 5 FGBDLO C[C@@H]1COCC[N@H+]1CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000188322599 496752760 /nfs/dbraw/zinc/75/27/60/496752760.db2.gz NPWDIJSRQUXOJG-SNVBAGLBSA-N 1 2 361.261 3.170 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247580659 496892486 /nfs/dbraw/zinc/89/24/86/496892486.db2.gz LITPTXJNMWGLJF-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247580659 496892487 /nfs/dbraw/zinc/89/24/87/496892487.db2.gz LITPTXJNMWGLJF-PWSUYJOCSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](O)C(F)(F)F ZINC000189500293 497140131 /nfs/dbraw/zinc/14/01/31/497140131.db2.gz NIYFIIBFZFJMMV-AWEZNQCLSA-N 1 2 350.337 3.127 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](O)C(F)(F)F ZINC000189500293 497140136 /nfs/dbraw/zinc/14/01/36/497140136.db2.gz NIYFIIBFZFJMMV-AWEZNQCLSA-N 1 2 350.337 3.127 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F)CCCC2 ZINC000279155635 497351123 /nfs/dbraw/zinc/35/11/23/497351123.db2.gz HREGWAKDSJIKPF-QGZVFWFLSA-N 1 2 372.400 3.324 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276680222 497626611 /nfs/dbraw/zinc/62/66/11/497626611.db2.gz UZFKSXDRMZWVNI-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CN(C)c1cccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272549648 497659316 /nfs/dbraw/zinc/65/93/16/497659316.db2.gz RBIJZHYXQYWORW-IBGZPJMESA-N 1 2 365.437 3.274 20 5 FGBDLO COCc1cccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272562702 497664313 /nfs/dbraw/zinc/66/43/13/497664313.db2.gz UIESUTFZCPLVJC-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364191689 497832968 /nfs/dbraw/zinc/83/29/68/497832968.db2.gz RYQSURHKVUOOST-VQIMIIECSA-N 1 2 369.421 3.238 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572305017 505937544 /nfs/dbraw/zinc/93/75/44/505937544.db2.gz QDTMUQVIPKUQHJ-HXUWFJFHSA-N 1 2 372.421 3.230 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572305017 505937548 /nfs/dbraw/zinc/93/75/48/505937548.db2.gz QDTMUQVIPKUQHJ-HXUWFJFHSA-N 1 2 372.421 3.230 20 5 FGBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000292063956 497862729 /nfs/dbraw/zinc/86/27/29/497862729.db2.gz CUOBLJNIVPNOKT-UHFFFAOYSA-N 1 2 360.326 3.436 20 5 FGBDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280774585 497892596 /nfs/dbraw/zinc/89/25/96/497892596.db2.gz HOYQKLXJNICBPY-KBXCAEBGSA-N 1 2 362.451 3.167 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000364343721 497909692 /nfs/dbraw/zinc/90/96/92/497909692.db2.gz XQUXSESTZHQVHU-INIZCTEOSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000364343721 497909699 /nfs/dbraw/zinc/90/96/99/497909699.db2.gz XQUXSESTZHQVHU-INIZCTEOSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000364343721 497909704 /nfs/dbraw/zinc/90/97/04/497909704.db2.gz XQUXSESTZHQVHU-INIZCTEOSA-N 1 2 352.398 3.019 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000364343721 497909713 /nfs/dbraw/zinc/90/97/13/497909713.db2.gz XQUXSESTZHQVHU-INIZCTEOSA-N 1 2 352.398 3.019 20 5 FGBDLO C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000364458162 497968108 /nfs/dbraw/zinc/96/81/08/497968108.db2.gz GFAHZUKYHSDBIF-MFKMUULPSA-N 1 2 355.320 3.293 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000296285243 497984934 /nfs/dbraw/zinc/98/49/34/497984934.db2.gz JGBOMFXQMDSORB-SWLSCSKDSA-N 1 2 357.414 3.182 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)cc1F ZINC000301202925 497997947 /nfs/dbraw/zinc/99/79/47/497997947.db2.gz XJEAWYQIIZQNMY-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO COc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301360485 498073682 /nfs/dbraw/zinc/07/36/82/498073682.db2.gz NXDCBNWPBXWAIA-OAHLLOKOSA-N 1 2 363.439 3.150 20 5 FGBDLO CC(C)(CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N+](=O)[O-] ZINC000296622441 498125472 /nfs/dbraw/zinc/12/54/72/498125472.db2.gz UXCBOWXZTKBOHQ-UHFFFAOYSA-N 1 2 354.410 3.376 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000289444377 498149615 /nfs/dbraw/zinc/14/96/15/498149615.db2.gz ZHLFQDVBTNQEMG-UHFFFAOYSA-N 1 2 370.240 3.405 20 5 FGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544043 498187597 /nfs/dbraw/zinc/18/75/97/498187597.db2.gz XBKZLYHBRURGTG-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544043 498187602 /nfs/dbraw/zinc/18/76/02/498187602.db2.gz XBKZLYHBRURGTG-WCQYABFASA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000301617460 498189986 /nfs/dbraw/zinc/18/99/86/498189986.db2.gz CNTJNVIZCBPXTK-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000301620873 498191614 /nfs/dbraw/zinc/19/16/14/498191614.db2.gz FDZUXTDKFLACJP-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO CC(C)(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000359866690 498226123 /nfs/dbraw/zinc/22/61/23/498226123.db2.gz IUNWEIPWDLZKHC-UHFFFAOYSA-N 1 2 360.389 3.141 20 5 FGBDLO CC(C)(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000359866690 498226126 /nfs/dbraw/zinc/22/61/26/498226126.db2.gz IUNWEIPWDLZKHC-UHFFFAOYSA-N 1 2 360.389 3.141 20 5 FGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000578778973 506018709 /nfs/dbraw/zinc/01/87/09/506018709.db2.gz ZNMXJISSCQOPPT-RHSMWYFYSA-N 1 2 369.421 3.269 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365682439 498596263 /nfs/dbraw/zinc/59/62/63/498596263.db2.gz VQWZQPNXJHFLIU-AWEZNQCLSA-N 1 2 357.414 3.357 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](Cc3cccc(F)c3)CC1)CCN2 ZINC000302880987 498612588 /nfs/dbraw/zinc/61/25/88/498612588.db2.gz IQVQRWGKKOTAEE-UHFFFAOYSA-N 1 2 356.401 3.024 20 5 FGBDLO CCc1ccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1[N+](=O)[O-] ZINC000365764976 498630345 /nfs/dbraw/zinc/63/03/45/498630345.db2.gz NLKXYKCUOORBIA-UHFFFAOYSA-N 1 2 374.466 3.008 20 5 FGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000287299873 498707550 /nfs/dbraw/zinc/70/75/50/498707550.db2.gz MSDLTPGPEOTLTR-CQSZACIVSA-N 1 2 354.410 3.076 20 5 FGBDLO Cc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000366010606 498731248 /nfs/dbraw/zinc/73/12/48/498731248.db2.gz ZHLLPKVCWVONIW-UHFFFAOYSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n[nH]1 ZINC000366010606 498731257 /nfs/dbraw/zinc/73/12/57/498731257.db2.gz ZHLLPKVCWVONIW-UHFFFAOYSA-N 1 2 359.430 3.188 20 5 FGBDLO Cc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)[nH]1 ZINC000366010606 498731262 /nfs/dbraw/zinc/73/12/62/498731262.db2.gz ZHLLPKVCWVONIW-UHFFFAOYSA-N 1 2 359.430 3.188 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncnc3sc([N+](=O)[O-])cc31)C2 ZINC000287586181 498804867 /nfs/dbraw/zinc/80/48/67/498804867.db2.gz XSHPXYQPMMLFPN-UHFFFAOYSA-N 1 2 358.427 3.019 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2ncccc2C1 ZINC000366426561 498920681 /nfs/dbraw/zinc/92/06/81/498920681.db2.gz ZRYKLNRMNCPXHB-GFCCVEGCSA-N 1 2 351.366 3.159 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ncccc2C1 ZINC000366426561 498920685 /nfs/dbraw/zinc/92/06/85/498920685.db2.gz ZRYKLNRMNCPXHB-GFCCVEGCSA-N 1 2 351.366 3.159 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000366525881 498965554 /nfs/dbraw/zinc/96/55/54/498965554.db2.gz TYIUQADPIFQGHQ-UHFFFAOYSA-N 1 2 355.329 3.267 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc(OC)c1 ZINC000299136421 498975576 /nfs/dbraw/zinc/97/55/76/498975576.db2.gz PHUHZYCDYCYMFJ-UHFFFAOYSA-N 1 2 374.393 3.111 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc(OC)c1 ZINC000299136421 498975583 /nfs/dbraw/zinc/97/55/83/498975583.db2.gz PHUHZYCDYCYMFJ-UHFFFAOYSA-N 1 2 374.393 3.111 20 5 FGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000284174925 499062935 /nfs/dbraw/zinc/06/29/35/499062935.db2.gz QZDQJODQAZLDBH-OAHLLOKOSA-N 1 2 367.308 3.259 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000367284656 499173348 /nfs/dbraw/zinc/17/33/48/499173348.db2.gz FDYUQVQJBPOZGA-CYBMUJFWSA-N 1 2 351.815 3.096 20 5 FGBDLO O=C1OCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000368660093 499318698 /nfs/dbraw/zinc/31/86/98/499318698.db2.gz TYKNQNWCCYHZRY-UHFFFAOYSA-N 1 2 358.316 3.143 20 5 FGBDLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010027 499356723 /nfs/dbraw/zinc/35/67/23/499356723.db2.gz MSTIQHJSAUYWEX-AWEZNQCLSA-N 1 2 372.404 3.137 20 5 FGBDLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010027 499356725 /nfs/dbraw/zinc/35/67/25/499356725.db2.gz MSTIQHJSAUYWEX-AWEZNQCLSA-N 1 2 372.404 3.137 20 5 FGBDLO CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000372252180 499413614 /nfs/dbraw/zinc/41/36/14/499413614.db2.gz RDPARBJEHIADNW-WBVHZDCISA-N 1 2 371.441 3.428 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)no1 ZINC000378309261 499500254 /nfs/dbraw/zinc/50/02/54/499500254.db2.gz FDUOHBGWKOMVHY-CQSZACIVSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)no1 ZINC000378309261 499500255 /nfs/dbraw/zinc/50/02/55/499500255.db2.gz FDUOHBGWKOMVHY-CQSZACIVSA-N 1 2 369.381 3.321 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000378387929 499510585 /nfs/dbraw/zinc/51/05/85/499510585.db2.gz GBURPEFGWITAOX-UHFFFAOYSA-N 1 2 354.341 3.064 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000376692219 499629693 /nfs/dbraw/zinc/62/96/93/499629693.db2.gz WIABIHLLWFHNIY-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000376692219 499629695 /nfs/dbraw/zinc/62/96/95/499629695.db2.gz WIABIHLLWFHNIY-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000410312816 499654330 /nfs/dbraw/zinc/65/43/30/499654330.db2.gz GZJYLNKHFYKJBW-UHFFFAOYSA-N 1 2 360.439 3.362 20 5 FGBDLO COc1cc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000411910224 499803106 /nfs/dbraw/zinc/80/31/06/499803106.db2.gz UIECDUYEVGVCBH-LBPRGKRZSA-N 1 2 350.415 3.298 20 5 FGBDLO COc1cc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000411910224 499803107 /nfs/dbraw/zinc/80/31/07/499803107.db2.gz UIECDUYEVGVCBH-LBPRGKRZSA-N 1 2 350.415 3.298 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980127 499808889 /nfs/dbraw/zinc/80/88/89/499808889.db2.gz IRLCMHMNUUOJGA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411980127 499808890 /nfs/dbraw/zinc/80/88/90/499808890.db2.gz IRLCMHMNUUOJGA-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCN(CC(F)(F)F)C3)c2c1 ZINC000413085496 499911783 /nfs/dbraw/zinc/91/17/83/499911783.db2.gz WIRDMEUAZXQOCE-LLVKDONJSA-N 1 2 354.332 3.439 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](c4nnc5n4CCC5)C3)c2c1 ZINC000413124807 499916934 /nfs/dbraw/zinc/91/69/34/499916934.db2.gz GPYAKHIPHUSQHN-AWEZNQCLSA-N 1 2 364.409 3.065 20 5 FGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000413269337 499934842 /nfs/dbraw/zinc/93/48/42/499934842.db2.gz NFIMCXULCVSBOR-PJIJBLCYSA-N 1 2 357.410 3.306 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC[C@H]1C1CCC1 ZINC000416088540 499947098 /nfs/dbraw/zinc/94/70/98/499947098.db2.gz ADLMMUSUSVEAIG-KRWDZBQOSA-N 1 2 372.450 3.138 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc2O1 ZINC000429139204 500011638 /nfs/dbraw/zinc/01/16/38/500011638.db2.gz GPDKINOORXBYFW-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc2O1 ZINC000429139204 500011641 /nfs/dbraw/zinc/01/16/41/500011641.db2.gz GPDKINOORXBYFW-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000429216267 500025049 /nfs/dbraw/zinc/02/50/49/500025049.db2.gz SOKAPEVFDNGHOX-UHFFFAOYSA-N 1 2 374.828 3.461 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429361795 500060463 /nfs/dbraw/zinc/06/04/63/500060463.db2.gz GBDJGWBSDGQKTH-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429361795 500060467 /nfs/dbraw/zinc/06/04/67/500060467.db2.gz GBDJGWBSDGQKTH-OKILXGFUSA-N 1 2 363.458 3.071 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000425430055 500104456 /nfs/dbraw/zinc/10/44/56/500104456.db2.gz CRMIBURSMIRDME-GFCCVEGCSA-N 1 2 355.188 3.164 20 5 FGBDLO CCOc1cc(OCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000421846034 500163187 /nfs/dbraw/zinc/16/31/87/500163187.db2.gz YMDYHGGLBHPAMH-UHFFFAOYSA-N 1 2 372.421 3.405 20 5 FGBDLO CCc1cc(NCc2c[nH+]ccc2OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431429617 500376301 /nfs/dbraw/zinc/37/63/01/500376301.db2.gz ZQCWCWMAIDKNBV-UHFFFAOYSA-N 1 2 365.393 3.052 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH+]ccc1OC ZINC000431503746 500385169 /nfs/dbraw/zinc/38/51/69/500385169.db2.gz XWCIUCGIYICUBF-UHFFFAOYSA-N 1 2 351.746 3.051 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000427378836 500387180 /nfs/dbraw/zinc/38/71/80/500387180.db2.gz YJFWGBJKIDHTLP-ZDUSSCGKSA-N 1 2 372.429 3.146 20 5 FGBDLO COc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000428867553 500568166 /nfs/dbraw/zinc/56/81/66/500568166.db2.gz LZZNRMPDHUDKNK-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000428867553 500568168 /nfs/dbraw/zinc/56/81/68/500568168.db2.gz LZZNRMPDHUDKNK-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO CO[C@]1(C)C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1(C)C ZINC000447808608 500666895 /nfs/dbraw/zinc/66/68/95/500666895.db2.gz VUBPATRUJYKZQE-PKOBYXMFSA-N 1 2 363.458 3.043 20 5 FGBDLO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCS1 ZINC000447817829 500669498 /nfs/dbraw/zinc/66/94/98/500669498.db2.gz SMZQGGUKVNOHBY-KRWDZBQOSA-N 1 2 351.472 3.125 20 5 FGBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)s1 ZINC000443512809 500732564 /nfs/dbraw/zinc/73/25/64/500732564.db2.gz XRDHWKJOTBYGSE-UHFFFAOYSA-N 1 2 367.434 3.043 20 5 FGBDLO Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448614438 500786059 /nfs/dbraw/zinc/78/60/59/500786059.db2.gz HXUDGSJOHNCIHD-INIZCTEOSA-N 1 2 365.393 3.096 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579310 506220673 /nfs/dbraw/zinc/22/06/73/506220673.db2.gz VERLIMBSVXNPEL-MFKMUULPSA-N 1 2 368.340 3.409 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579310 506220679 /nfs/dbraw/zinc/22/06/79/506220679.db2.gz VERLIMBSVXNPEL-MFKMUULPSA-N 1 2 368.340 3.409 20 5 FGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444784225 500900223 /nfs/dbraw/zinc/90/02/23/500900223.db2.gz NBQUENBFZZZLMK-SFHVURJKSA-N 1 2 350.415 3.301 20 5 FGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444784225 500900228 /nfs/dbraw/zinc/90/02/28/500900228.db2.gz NBQUENBFZZZLMK-SFHVURJKSA-N 1 2 350.415 3.301 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c[nH+]1 ZINC000444847669 500910512 /nfs/dbraw/zinc/91/05/12/500910512.db2.gz KDQNFLMDFAQBHD-UHFFFAOYSA-N 1 2 372.428 3.072 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000439892132 500951542 /nfs/dbraw/zinc/95/15/42/500951542.db2.gz RFPJPANVVKIYPI-UHFFFAOYSA-N 1 2 373.413 3.402 20 5 FGBDLO Cc1nc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000611616437 506228806 /nfs/dbraw/zinc/22/88/06/506228806.db2.gz OONILMPHYXQIID-UHFFFAOYSA-N 1 2 361.471 3.084 20 5 FGBDLO Cc1nc(C[N@H+]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000611616437 506228811 /nfs/dbraw/zinc/22/88/11/506228811.db2.gz OONILMPHYXQIID-UHFFFAOYSA-N 1 2 361.471 3.084 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440422376 501007503 /nfs/dbraw/zinc/00/75/03/501007503.db2.gz DIOAFPMIENGYCA-UHFFFAOYSA-N 1 2 368.418 3.373 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000440504396 501016724 /nfs/dbraw/zinc/01/67/24/501016724.db2.gz WONXNRDXBKXXES-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000440504396 501016725 /nfs/dbraw/zinc/01/67/25/501016725.db2.gz WONXNRDXBKXXES-GFCCVEGCSA-N 1 2 371.422 3.393 20 5 FGBDLO COc1cccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000435815243 501032647 /nfs/dbraw/zinc/03/26/47/501032647.db2.gz BFLDKMDUBCJZQK-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067272 501068122 /nfs/dbraw/zinc/06/81/22/501068122.db2.gz AMBHMOXBVWEHLU-DCAQKATOSA-N 1 2 360.357 3.203 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000446067272 501068125 /nfs/dbraw/zinc/06/81/25/501068125.db2.gz AMBHMOXBVWEHLU-DCAQKATOSA-N 1 2 360.357 3.203 20 5 FGBDLO Cn1c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1[N+](=O)[O-] ZINC000436168643 501082897 /nfs/dbraw/zinc/08/28/97/501082897.db2.gz FMJXNKYETXNWED-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000441075308 501084257 /nfs/dbraw/zinc/08/42/57/501084257.db2.gz ZUXHKDPWXBSQFV-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000441075308 501084258 /nfs/dbraw/zinc/08/42/58/501084258.db2.gz ZUXHKDPWXBSQFV-UHFFFAOYSA-N 1 2 369.421 3.015 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000602603206 506230221 /nfs/dbraw/zinc/23/02/21/506230221.db2.gz NCPPJWZLQKHBQG-VIFPVBQESA-N 1 2 355.320 3.002 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598942837 506237178 /nfs/dbraw/zinc/23/71/78/506237178.db2.gz PEMFRTHLQZSUJG-DJJJIMSYSA-N 1 2 369.421 3.357 20 5 FGBDLO CCOC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000450650464 501177131 /nfs/dbraw/zinc/17/71/31/501177131.db2.gz QYSGFVHGOOMNFP-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000450650464 501177135 /nfs/dbraw/zinc/17/71/35/501177135.db2.gz QYSGFVHGOOMNFP-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO Cc1cc(NC[C@@H]2CCc3cccnc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598946473 506240172 /nfs/dbraw/zinc/24/01/72/506240172.db2.gz SHHHRLXDPRXAJF-INIZCTEOSA-N 1 2 361.405 3.319 20 5 FGBDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450182517 501202974 /nfs/dbraw/zinc/20/29/74/501202974.db2.gz DHJYOBCIJIPUMW-JTQLQIEISA-N 1 2 368.315 3.118 20 5 FGBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2[nH+]ccn21 ZINC000450832212 501215185 /nfs/dbraw/zinc/21/51/85/501215185.db2.gz RDDPKPDPJMQWOV-HIFRSBDPSA-N 1 2 365.393 3.305 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436870966 501225198 /nfs/dbraw/zinc/22/51/98/501225198.db2.gz RNFDSBLPTVOXSP-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2csc(NCc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000450304202 501229757 /nfs/dbraw/zinc/22/97/57/501229757.db2.gz LEXJXMCCFRYFBK-UHFFFAOYSA-N 1 2 355.423 3.285 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326217 501266135 /nfs/dbraw/zinc/26/61/35/501266135.db2.gz PTBHWJQBYDTIHB-INIZCTEOSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326217 501266137 /nfs/dbraw/zinc/26/61/37/501266137.db2.gz PTBHWJQBYDTIHB-INIZCTEOSA-N 1 2 350.802 3.422 20 5 FGBDLO Cc1[nH+]cccc1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453243460 501297989 /nfs/dbraw/zinc/29/79/89/501297989.db2.gz XUQPDALQGQLYHZ-UHFFFAOYSA-N 1 2 351.366 3.297 20 5 FGBDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548860 501319724 /nfs/dbraw/zinc/31/97/24/501319724.db2.gz ORJFVDPNMJJYDG-ZFWWWQNUSA-N 1 2 360.414 3.455 20 5 FGBDLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548860 501319728 /nfs/dbraw/zinc/31/97/28/501319728.db2.gz ORJFVDPNMJJYDG-ZFWWWQNUSA-N 1 2 360.414 3.455 20 5 FGBDLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550085 501321076 /nfs/dbraw/zinc/32/10/76/501321076.db2.gz QUYXDALXWVXZHI-WMZOPIPTSA-N 1 2 355.394 3.084 20 5 FGBDLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550085 501321079 /nfs/dbraw/zinc/32/10/79/501321079.db2.gz QUYXDALXWVXZHI-WMZOPIPTSA-N 1 2 355.394 3.084 20 5 FGBDLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000451551707 501321912 /nfs/dbraw/zinc/32/19/12/501321912.db2.gz URLRTZBATMYDQT-CQSZACIVSA-N 1 2 360.439 3.389 20 5 FGBDLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000451551707 501321914 /nfs/dbraw/zinc/32/19/14/501321914.db2.gz URLRTZBATMYDQT-CQSZACIVSA-N 1 2 360.439 3.389 20 5 FGBDLO CCSc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453583334 501353965 /nfs/dbraw/zinc/35/39/65/501353965.db2.gz XQUDALWNORUGBG-UHFFFAOYSA-N 1 2 358.467 3.424 20 5 FGBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451858233 501386728 /nfs/dbraw/zinc/38/67/28/501386728.db2.gz RKPDERCAHWHYIO-LJQANCHMSA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451858233 501386730 /nfs/dbraw/zinc/38/67/30/501386730.db2.gz RKPDERCAHWHYIO-LJQANCHMSA-N 1 2 367.405 3.304 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452332567 501479800 /nfs/dbraw/zinc/47/98/00/501479800.db2.gz HJMCUHCOJQZRSO-UHFFFAOYSA-N 1 2 365.187 3.142 20 5 FGBDLO C[C@@H](C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000452446995 501502160 /nfs/dbraw/zinc/50/21/60/501502160.db2.gz GLKQNPQXFTUNSG-ABAIWWIYSA-N 1 2 360.389 3.181 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1(C)C ZINC000452449088 501503055 /nfs/dbraw/zinc/50/30/55/501503055.db2.gz AGAZADBVXMYJRH-OAHLLOKOSA-N 1 2 353.382 3.033 20 5 FGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2nccn21 ZINC000602682536 506259831 /nfs/dbraw/zinc/25/98/31/506259831.db2.gz LZHRVXHQRKBDCI-GMSGAONNSA-N 1 2 357.233 3.411 20 5 FGBDLO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602684602 506260532 /nfs/dbraw/zinc/26/05/32/506260532.db2.gz PCCCHTBBQLSSTL-SECBINFHSA-N 1 2 363.277 3.402 20 5 FGBDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602684602 506260536 /nfs/dbraw/zinc/26/05/36/506260536.db2.gz PCCCHTBBQLSSTL-SECBINFHSA-N 1 2 363.277 3.402 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459061062 501585739 /nfs/dbraw/zinc/58/57/39/501585739.db2.gz OZGLAKPULJUAEW-ZDUSSCGKSA-N 1 2 357.414 3.246 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2n1[C@H](C)CO ZINC000456741376 501590496 /nfs/dbraw/zinc/59/04/96/501590496.db2.gz ZEHOIMJVTDEPHY-SECBINFHSA-N 1 2 360.395 3.120 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2[nH+]ccn21 ZINC000459124099 501598439 /nfs/dbraw/zinc/59/84/39/501598439.db2.gz UWDFEQUEJNZARR-DOMZBBRYSA-N 1 2 355.398 3.171 20 5 FGBDLO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456993648 501631460 /nfs/dbraw/zinc/63/14/60/501631460.db2.gz SUTFMNWVNTXPGI-WJCADGGCSA-N 1 2 366.421 3.289 20 5 FGBDLO Cn1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2ccccc2)n1 ZINC000459618330 501687972 /nfs/dbraw/zinc/68/79/72/501687972.db2.gz DKVNRSXCDHEOGX-UHFFFAOYSA-N 1 2 364.405 3.259 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950712 501867896 /nfs/dbraw/zinc/86/78/96/501867896.db2.gz VGGIYWUUJVTXRY-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950712 501867902 /nfs/dbraw/zinc/86/79/02/501867902.db2.gz VGGIYWUUJVTXRY-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000485740276 501921432 /nfs/dbraw/zinc/92/14/32/501921432.db2.gz WHQMNFOXKFDIEI-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000485740276 501921434 /nfs/dbraw/zinc/92/14/34/501921434.db2.gz WHQMNFOXKFDIEI-UHFFFAOYSA-N 1 2 357.410 3.291 20 5 FGBDLO Cc1ccn2cc(CNc3ncc(Br)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000474774883 501949259 /nfs/dbraw/zinc/94/92/59/501949259.db2.gz MOLXAWRSEQKGHV-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486026554 502022722 /nfs/dbraw/zinc/02/27/22/502022722.db2.gz HQAVXUAVXJHYRK-UHFFFAOYSA-N 1 2 367.409 3.498 20 5 FGBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691272 502065493 /nfs/dbraw/zinc/06/54/93/502065493.db2.gz OMCUEFBAGPIEKR-RISCZKNCSA-N 1 2 366.311 3.020 20 5 FGBDLO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464691272 502065498 /nfs/dbraw/zinc/06/54/98/502065498.db2.gz OMCUEFBAGPIEKR-RISCZKNCSA-N 1 2 366.311 3.020 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCOC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464835720 502111445 /nfs/dbraw/zinc/11/14/45/502111445.db2.gz RNWLFPVOQSNGMV-GOSISDBHSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCOC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464835720 502111450 /nfs/dbraw/zinc/11/14/50/502111450.db2.gz RNWLFPVOQSNGMV-GOSISDBHSA-N 1 2 358.394 3.056 20 5 FGBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000475501203 502192879 /nfs/dbraw/zinc/19/28/79/502192879.db2.gz DODSGPNCACEROY-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000475501203 502192881 /nfs/dbraw/zinc/19/28/81/502192881.db2.gz DODSGPNCACEROY-UHFFFAOYSA-N 1 2 370.409 3.066 20 5 FGBDLO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000461772455 502197696 /nfs/dbraw/zinc/19/76/96/502197696.db2.gz CQMHWMQUXFJBKG-ZDUSSCGKSA-N 1 2 360.389 3.275 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000475525216 502203345 /nfs/dbraw/zinc/20/33/45/502203345.db2.gz CAUGQERVHBBSPV-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000475525216 502203347 /nfs/dbraw/zinc/20/33/47/502203347.db2.gz CAUGQERVHBBSPV-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO COc1ccccc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472036299 502206642 /nfs/dbraw/zinc/20/66/42/502206642.db2.gz WQIRXUKKFXSZES-UHFFFAOYSA-N 1 2 371.437 3.072 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000487522591 502466681 /nfs/dbraw/zinc/46/66/81/502466681.db2.gz FINOFPJXTMWCKS-KRWDZBQOSA-N 1 2 355.438 3.352 20 5 FGBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000602826707 506315385 /nfs/dbraw/zinc/31/53/85/506315385.db2.gz IWCKVCMEUVLOLN-MRVPVSSYSA-N 1 2 357.183 3.081 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000488072843 502618189 /nfs/dbraw/zinc/61/81/89/502618189.db2.gz VUSLVZHBDODTHQ-UHFFFAOYSA-N 1 2 351.341 3.235 20 5 FGBDLO Cc1cc(NCCCC(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000466633949 502627871 /nfs/dbraw/zinc/62/78/71/502627871.db2.gz HLJBSEYZRGFFFC-UHFFFAOYSA-N 1 2 372.425 3.316 20 5 FGBDLO CCc1cc(NC[C@@](C)(O)[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488187302 502652072 /nfs/dbraw/zinc/65/20/72/502652072.db2.gz ZDCPJQGSXMDSAB-BFUOFWGJSA-N 1 2 358.442 3.245 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470119715 502667161 /nfs/dbraw/zinc/66/71/61/502667161.db2.gz CNNUSGRJKGUMIX-UHFFFAOYSA-N 1 2 357.345 3.214 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418872 502792659 /nfs/dbraw/zinc/79/26/59/502792659.db2.gz USARQMBFXVONPD-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463418872 502792661 /nfs/dbraw/zinc/79/26/61/502792661.db2.gz USARQMBFXVONPD-ZDUSSCGKSA-N 1 2 367.405 3.175 20 5 FGBDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000484994569 502795979 /nfs/dbraw/zinc/79/59/79/502795979.db2.gz QNXCMKSJKOULHH-AWEZNQCLSA-N 1 2 359.401 3.433 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000484994569 502795987 /nfs/dbraw/zinc/79/59/87/502795987.db2.gz QNXCMKSJKOULHH-AWEZNQCLSA-N 1 2 359.401 3.433 20 5 FGBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000513122939 502857320 /nfs/dbraw/zinc/85/73/20/502857320.db2.gz QYICATROVCAIGS-UHFFFAOYSA-N 1 2 362.382 3.247 20 5 FGBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000513122939 502857322 /nfs/dbraw/zinc/85/73/22/502857322.db2.gz QYICATROVCAIGS-UHFFFAOYSA-N 1 2 362.382 3.247 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2n[nH]cc2c1 ZINC000513411738 502931135 /nfs/dbraw/zinc/93/11/35/502931135.db2.gz QJIUEGLTZRSPDK-LLVKDONJSA-N 1 2 364.365 3.372 20 5 FGBDLO Cc1ccccc1OCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513655116 502991621 /nfs/dbraw/zinc/99/16/21/502991621.db2.gz LEOPTWUMJHRCBQ-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513707448 503004758 /nfs/dbraw/zinc/00/47/58/503004758.db2.gz DARUMUCDZXCBIG-GUYCJALGSA-N 1 2 374.441 3.128 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029500 506346356 /nfs/dbraw/zinc/34/63/56/506346356.db2.gz USPVDJMACKSRGP-QGZVFWFLSA-N 1 2 372.425 3.325 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000506602993 503142377 /nfs/dbraw/zinc/14/23/77/503142377.db2.gz SYLOMWDEKXXPCN-UHFFFAOYSA-N 1 2 360.458 3.063 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511110311 503257728 /nfs/dbraw/zinc/25/77/28/503257728.db2.gz QQFGJAXCLSCKPI-AWEZNQCLSA-N 1 2 371.437 3.488 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511110311 503257733 /nfs/dbraw/zinc/25/77/33/503257733.db2.gz QQFGJAXCLSCKPI-AWEZNQCLSA-N 1 2 371.437 3.488 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc(Br)s1 ZINC000511141804 503267936 /nfs/dbraw/zinc/26/79/36/503267936.db2.gz MUQPEVXRFWZKLM-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc(Br)s1 ZINC000511141804 503267937 /nfs/dbraw/zinc/26/79/37/503267937.db2.gz MUQPEVXRFWZKLM-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO Cc1cc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491131729 503276838 /nfs/dbraw/zinc/27/68/38/503276838.db2.gz MVTXOQOOUPRGNX-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491131729 503276840 /nfs/dbraw/zinc/27/68/40/503276840.db2.gz MVTXOQOOUPRGNX-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000515226072 503296715 /nfs/dbraw/zinc/29/67/15/503296715.db2.gz CLPNZUBYKRMHGW-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180140 506363066 /nfs/dbraw/zinc/36/30/66/506363066.db2.gz SRMVFNXYDQQJET-UHFFFAOYSA-N 1 2 371.828 3.447 20 5 FGBDLO O=c1ccccn1C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000503213340 503368355 /nfs/dbraw/zinc/36/83/55/503368355.db2.gz AUMGBWMMBGTMGK-GOSISDBHSA-N 1 2 367.380 3.427 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000494796414 503612462 /nfs/dbraw/zinc/61/24/62/503612462.db2.gz SWUSLRXTMLCERT-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1n[nH]cc1Br ZINC000527039022 503652632 /nfs/dbraw/zinc/65/26/32/503652632.db2.gz QWIUFFKWWWSRHZ-BJMVGYQFSA-N 1 2 351.204 3.274 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000540327198 503738529 /nfs/dbraw/zinc/73/85/29/503738529.db2.gz SWPSAVXUWHTBCD-KBPBESRZSA-N 1 2 357.414 3.038 20 5 FGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000517681904 503805860 /nfs/dbraw/zinc/80/58/60/503805860.db2.gz CBTDUEHWFVQSSM-KBPBESRZSA-N 1 2 371.441 3.072 20 5 FGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000517681906 503806015 /nfs/dbraw/zinc/80/60/15/503806015.db2.gz CBTDUEHWFVQSSM-ZIAGYGMSSA-N 1 2 371.441 3.072 20 5 FGBDLO CCOc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000517807189 503842964 /nfs/dbraw/zinc/84/29/64/503842964.db2.gz ULCLYGWWIAOOOR-UHFFFAOYSA-N 1 2 358.398 3.011 20 5 FGBDLO CCc1cc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])on1 ZINC000537612341 503973656 /nfs/dbraw/zinc/97/36/56/503973656.db2.gz JZWJYKYZZNTKCD-UHFFFAOYSA-N 1 2 371.340 3.088 20 5 FGBDLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518405174 503976396 /nfs/dbraw/zinc/97/63/96/503976396.db2.gz RHWZIBPYUXQJIP-DJJJIMSYSA-N 1 2 362.389 3.444 20 5 FGBDLO O=C(Nc1cnc2c(c1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000541143367 504021604 /nfs/dbraw/zinc/02/16/04/504021604.db2.gz HXRUINDBXQUVME-UHFFFAOYSA-N 1 2 363.377 3.307 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282339 504072929 /nfs/dbraw/zinc/07/29/29/504072929.db2.gz MAWHNAZLINMMJN-STQMWFEESA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282339 504072932 /nfs/dbraw/zinc/07/29/32/504072932.db2.gz MAWHNAZLINMMJN-STQMWFEESA-N 1 2 366.364 3.306 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1 ZINC000534509954 504159922 /nfs/dbraw/zinc/15/99/22/504159922.db2.gz RJCIQQFHZRSNRH-IBGZPJMESA-N 1 2 351.406 3.149 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1 ZINC000534509954 504159927 /nfs/dbraw/zinc/15/99/27/504159927.db2.gz RJCIQQFHZRSNRH-IBGZPJMESA-N 1 2 351.406 3.149 20 5 FGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535052277 504327978 /nfs/dbraw/zinc/32/79/78/504327978.db2.gz YBNFPZCWBNZANA-GFCCVEGCSA-N 1 2 350.378 3.101 20 5 FGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535052277 504327981 /nfs/dbraw/zinc/32/79/81/504327981.db2.gz YBNFPZCWBNZANA-GFCCVEGCSA-N 1 2 350.378 3.101 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000519790370 504340505 /nfs/dbraw/zinc/34/05/05/504340505.db2.gz GNCVFUUTKGKLFD-UHFFFAOYSA-N 1 2 360.333 3.365 20 5 FGBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000519943270 504388464 /nfs/dbraw/zinc/38/84/64/504388464.db2.gz NSCUFCFMZCNQAH-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO CCOC(=O)C[C@@H](C)N(C)c1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542259423 504426785 /nfs/dbraw/zinc/42/67/85/504426785.db2.gz MHTSKUOLOJXHHC-CYBMUJFWSA-N 1 2 372.425 3.392 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(F)cc1 ZINC000539379761 504548480 /nfs/dbraw/zinc/54/84/80/504548480.db2.gz RIPPPFACLRHJSL-INIZCTEOSA-N 1 2 372.356 3.261 20 5 FGBDLO CCCNC(=O)CN(CCC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535989017 504600877 /nfs/dbraw/zinc/60/08/77/504600877.db2.gz NUJOWFRWEVCPJY-UHFFFAOYSA-N 1 2 371.441 3.103 20 5 FGBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393215 504635228 /nfs/dbraw/zinc/63/52/28/504635228.db2.gz OHKOKTISAJNLEI-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532683580 504735472 /nfs/dbraw/zinc/73/54/72/504735472.db2.gz YJYLELDCGPUTCR-CQSZACIVSA-N 1 2 374.828 3.373 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532683580 504735474 /nfs/dbraw/zinc/73/54/74/504735474.db2.gz YJYLELDCGPUTCR-CQSZACIVSA-N 1 2 374.828 3.373 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000559107877 504783808 /nfs/dbraw/zinc/78/38/08/504783808.db2.gz COGJLTSYKWKKKV-LLVKDONJSA-N 1 2 358.238 3.113 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000559107877 504783810 /nfs/dbraw/zinc/78/38/10/504783810.db2.gz COGJLTSYKWKKKV-LLVKDONJSA-N 1 2 358.238 3.113 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000562457546 504826748 /nfs/dbraw/zinc/82/67/48/504826748.db2.gz HEQVYUYXWUJHCY-FQEVSTJZSA-N 1 2 372.421 3.364 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000562457546 504826750 /nfs/dbraw/zinc/82/67/50/504826750.db2.gz HEQVYUYXWUJHCY-FQEVSTJZSA-N 1 2 372.421 3.364 20 5 FGBDLO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000549686979 504873558 /nfs/dbraw/zinc/87/35/58/504873558.db2.gz HNCPQZHOYOKISP-SJLPKXTDSA-N 1 2 363.364 3.114 20 5 FGBDLO O=C(NC(C1CCC1)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000553629265 504967905 /nfs/dbraw/zinc/96/79/05/504967905.db2.gz BHKVYGRDFCRTMA-UHFFFAOYSA-N 1 2 354.410 3.479 20 5 FGBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553635505 504969543 /nfs/dbraw/zinc/96/95/43/504969543.db2.gz MVLUBYFWJZTGNX-UHFFFAOYSA-N 1 2 357.757 3.140 20 5 FGBDLO COc1ccc(F)cc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556889765 505007832 /nfs/dbraw/zinc/00/78/32/505007832.db2.gz FXIGALYZCJWPFP-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c[nH+]1 ZINC000550319741 505020642 /nfs/dbraw/zinc/02/06/42/505020642.db2.gz UPGOGTXAUZRQJG-UHFFFAOYSA-N 1 2 364.199 3.352 20 5 FGBDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])ccc2NC1=O ZINC000554319513 505144380 /nfs/dbraw/zinc/14/43/80/505144380.db2.gz FGDMFXJVWWKUEP-APPDUMDISA-N 1 2 371.393 3.261 20 5 FGBDLO COC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000554619790 505224363 /nfs/dbraw/zinc/22/43/63/505224363.db2.gz IPSXPBOGSSPQHY-UHFFFAOYSA-N 1 2 373.390 3.388 20 5 FGBDLO C[N@H+](Cc1ccco1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566707702 505249583 /nfs/dbraw/zinc/24/95/83/505249583.db2.gz VUCHXCYNFYJIKE-UHFFFAOYSA-N 1 2 372.162 3.424 20 5 FGBDLO C[N@@H+](Cc1ccco1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566707702 505249585 /nfs/dbraw/zinc/24/95/85/505249585.db2.gz VUCHXCYNFYJIKE-UHFFFAOYSA-N 1 2 372.162 3.424 20 5 FGBDLO Cc1ccccc1-n1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000558414413 505381712 /nfs/dbraw/zinc/38/17/12/505381712.db2.gz OJGQDECVGGVHIA-UHFFFAOYSA-N 1 2 351.410 3.158 20 5 FGBDLO Cc1ccccc1-n1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000558414413 505381715 /nfs/dbraw/zinc/38/17/15/505381715.db2.gz OJGQDECVGGVHIA-UHFFFAOYSA-N 1 2 351.410 3.158 20 5 FGBDLO COC(=O)c1cc(C)nc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000567300072 505422557 /nfs/dbraw/zinc/42/25/57/505422557.db2.gz USFRJXWYFGNPRW-UHFFFAOYSA-N 1 2 354.322 3.063 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552247075 505440028 /nfs/dbraw/zinc/44/00/28/505440028.db2.gz AVOBQQIMPSDFSO-QGZVFWFLSA-N 1 2 374.441 3.129 20 5 FGBDLO O=C1NCCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000552357513 505471247 /nfs/dbraw/zinc/47/12/47/505471247.db2.gz CVDZXMCLWUYXCM-HSSRVXSRSA-N 1 2 365.433 3.041 20 5 FGBDLO O=C1NCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000552357513 505471250 /nfs/dbraw/zinc/47/12/50/505471250.db2.gz CVDZXMCLWUYXCM-HSSRVXSRSA-N 1 2 365.433 3.041 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2[nH+]1 ZINC000559049901 505557795 /nfs/dbraw/zinc/55/77/95/505557795.db2.gz CJCRYNLIKHXALR-UHFFFAOYSA-N 1 2 364.365 3.271 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599585406 506513342 /nfs/dbraw/zinc/51/33/42/506513342.db2.gz YSTJHUBKBKFBKW-IUODEOHRSA-N 1 2 350.415 3.100 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599585406 506513346 /nfs/dbraw/zinc/51/33/46/506513346.db2.gz YSTJHUBKBKFBKW-IUODEOHRSA-N 1 2 350.415 3.100 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599829274 506662386 /nfs/dbraw/zinc/66/23/86/506662386.db2.gz DZWNWIAOTDZMDA-CYBMUJFWSA-N 1 2 366.381 3.209 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599831512 506664935 /nfs/dbraw/zinc/66/49/35/506664935.db2.gz NQDGYNPILYWUTB-UHFFFAOYSA-N 1 2 366.381 3.278 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOCC2(CCC2)C1 ZINC000612746507 506717176 /nfs/dbraw/zinc/71/71/76/506717176.db2.gz QTCWHHLGDLQBRB-GFCCVEGCSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOCC2(CCC2)C1 ZINC000612746507 506717183 /nfs/dbraw/zinc/71/71/83/506717183.db2.gz QTCWHHLGDLQBRB-GFCCVEGCSA-N 1 2 367.833 3.078 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000599986984 506736516 /nfs/dbraw/zinc/73/65/16/506736516.db2.gz BTOXAXHLGOBUQB-IRXDYDNUSA-N 1 2 368.437 3.068 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000609203660 506813705 /nfs/dbraw/zinc/81/37/05/506813705.db2.gz MQPRIBCBBPRVMA-UHFFFAOYSA-N 1 2 371.437 3.410 20 5 FGBDLO C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000590423317 506818020 /nfs/dbraw/zinc/81/80/20/506818020.db2.gz KRWXOMYPOOJNHI-GWCFXTLKSA-N 1 2 370.331 3.242 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000612990941 506851690 /nfs/dbraw/zinc/85/16/90/506851690.db2.gz KCMVMVUGUPWCQQ-NDRBSLDKSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000612990941 506851697 /nfs/dbraw/zinc/85/16/97/506851697.db2.gz KCMVMVUGUPWCQQ-NDRBSLDKSA-N 1 2 374.372 3.213 20 5 FGBDLO Cc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000604534471 506864983 /nfs/dbraw/zinc/86/49/83/506864983.db2.gz CTLMPVDERQMUBF-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000609533373 506910876 /nfs/dbraw/zinc/91/08/76/506910876.db2.gz XUHFJXHWGIOSAN-UHFFFAOYSA-N 1 2 371.422 3.264 20 5 FGBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000609533373 506910883 /nfs/dbraw/zinc/91/08/83/506910883.db2.gz XUHFJXHWGIOSAN-UHFFFAOYSA-N 1 2 371.422 3.264 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057479 506912397 /nfs/dbraw/zinc/91/23/97/506912397.db2.gz FUNRNTJFKNZNKF-CABCVRRESA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057479 506912402 /nfs/dbraw/zinc/91/24/02/506912402.db2.gz FUNRNTJFKNZNKF-CABCVRRESA-N 1 2 361.442 3.345 20 5 FGBDLO O=[N+]([O-])c1sccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564170 506924248 /nfs/dbraw/zinc/92/42/48/506924248.db2.gz PEEYQLRVGYIYRA-HNNXBMFYSA-N 1 2 367.858 3.165 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613231566 506983242 /nfs/dbraw/zinc/98/32/42/506983242.db2.gz MAMCWQVLQIXFDV-WMZOPIPTSA-N 1 2 356.426 3.224 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304220 507184621 /nfs/dbraw/zinc/18/46/21/507184621.db2.gz OONBJLWIQFRIOY-GOSISDBHSA-N 1 2 364.405 3.351 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC000601011082 507227615 /nfs/dbraw/zinc/22/76/15/507227615.db2.gz RDMODQXWQJFJBK-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)CSc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610446346 507242875 /nfs/dbraw/zinc/24/28/75/507242875.db2.gz ZPBOZIOSONYFSC-UHFFFAOYSA-N 1 2 370.434 3.002 20 5 FGBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610449179 507244079 /nfs/dbraw/zinc/24/40/79/507244079.db2.gz XQJQINWGWLOZLE-SFHVURJKSA-N 1 2 368.437 3.050 20 5 FGBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610449179 507244087 /nfs/dbraw/zinc/24/40/87/507244087.db2.gz XQJQINWGWLOZLE-SFHVURJKSA-N 1 2 368.437 3.050 20 5 FGBDLO O=[N+]([O-])c1cc(CNC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)cs1 ZINC000594990541 507345003 /nfs/dbraw/zinc/34/50/03/507345003.db2.gz ZZLGEVBKUPHZNB-UHFFFAOYSA-N 1 2 372.494 3.101 20 5 FGBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC(F)CC1 ZINC000598366539 507394094 /nfs/dbraw/zinc/39/40/94/507394094.db2.gz LCTSSPGTPZOVSB-OPFPJEHXSA-N 1 2 360.389 3.427 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC000598402180 507412397 /nfs/dbraw/zinc/41/23/97/507412397.db2.gz ZOODBDZFPCQSGM-INIZCTEOSA-N 1 2 354.410 3.433 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291631 507448534 /nfs/dbraw/zinc/44/85/34/507448534.db2.gz PXPNQXDLNHUHLT-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291631 507448540 /nfs/dbraw/zinc/44/85/40/507448540.db2.gz PXPNQXDLNHUHLT-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO Cc1noc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000595290436 507449666 /nfs/dbraw/zinc/44/96/66/507449666.db2.gz BRIWMDKFOUDJLN-ZDUSSCGKSA-N 1 2 364.833 3.423 20 5 FGBDLO Cc1noc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000595485613 507525540 /nfs/dbraw/zinc/52/55/40/507525540.db2.gz YGLIWTBIPSFDQC-LBPRGKRZSA-N 1 2 360.197 3.411 20 5 FGBDLO Cc1noc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000595489186 507527625 /nfs/dbraw/zinc/52/76/25/507527625.db2.gz OBEXAWCPKJWGAW-UHFFFAOYSA-N 1 2 350.806 3.257 20 5 FGBDLO Cc1noc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000595489186 507527633 /nfs/dbraw/zinc/52/76/33/507527633.db2.gz OBEXAWCPKJWGAW-UHFFFAOYSA-N 1 2 350.806 3.257 20 5 FGBDLO Cc1cc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601962367 507530733 /nfs/dbraw/zinc/53/07/33/507530733.db2.gz KRZZXTANHFFXEH-UHFFFAOYSA-N 1 2 369.468 3.136 20 5 FGBDLO O=C(C[NH2+][C@H](C(F)F)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598650920 507534386 /nfs/dbraw/zinc/53/43/86/507534386.db2.gz SRVYKJVXLBIQKC-KRWDZBQOSA-N 1 2 367.396 3.288 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180581 507551063 /nfs/dbraw/zinc/55/10/63/507551063.db2.gz LPPQWQUGVMWNTG-JTQLQIEISA-N 1 2 350.325 3.437 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[nH+]c12 ZINC000611196439 507558344 /nfs/dbraw/zinc/55/83/44/507558344.db2.gz VOFGMLDRFMLPKP-UHFFFAOYSA-N 1 2 363.377 3.005 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)o2)c1 ZINC000611252851 507580842 /nfs/dbraw/zinc/58/08/42/507580842.db2.gz YNRAWTGXNNFZTJ-SFHVURJKSA-N 1 2 371.437 3.151 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1[N+](=O)[O-] ZINC000611253389 507581169 /nfs/dbraw/zinc/58/11/69/507581169.db2.gz KRCGRPGHBHUOAW-UHFFFAOYSA-N 1 2 370.453 3.015 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCc4c[nH]nc4C3)o2)c([N+](=O)[O-])c1 ZINC000611273711 507599205 /nfs/dbraw/zinc/59/92/05/507599205.db2.gz XEOMKLWDUXRBNS-UHFFFAOYSA-N 1 2 354.366 3.145 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCc4c[nH]nc4C3)o2)c([N+](=O)[O-])c1 ZINC000611273711 507599208 /nfs/dbraw/zinc/59/92/08/507599208.db2.gz XEOMKLWDUXRBNS-UHFFFAOYSA-N 1 2 354.366 3.145 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595656556 507617002 /nfs/dbraw/zinc/61/70/02/507617002.db2.gz BTQFUPVKSPXJHF-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595656556 507617010 /nfs/dbraw/zinc/61/70/10/507617010.db2.gz BTQFUPVKSPXJHF-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000611503351 507709190 /nfs/dbraw/zinc/70/91/90/507709190.db2.gz BFXGGJYPQHPIIE-UHFFFAOYSA-N 1 2 359.773 3.260 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)cc1 ZINC000826498282 608173459 /nfs/dbraw/zinc/17/34/59/608173459.db2.gz OHDXSIIXCVFDCZ-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)cc1 ZINC000826498282 608173461 /nfs/dbraw/zinc/17/34/61/608173461.db2.gz OHDXSIIXCVFDCZ-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000522548957 714192254 /nfs/dbraw/zinc/19/22/54/714192254.db2.gz SUIWFSPSGBNRMK-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000522548957 714192257 /nfs/dbraw/zinc/19/22/57/714192257.db2.gz SUIWFSPSGBNRMK-CKEIUWERSA-N 1 2 367.877 3.322 20 5 FGBDLO O=C(NCCCc1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535813324 714430013 /nfs/dbraw/zinc/43/00/13/714430013.db2.gz KCMGOKXRQRGJQE-UHFFFAOYSA-N 1 2 356.407 3.205 20 5 FGBDLO CC[N@@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859216 724431128 /nfs/dbraw/zinc/43/11/28/724431128.db2.gz QELOFUOONDCEJE-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO CC[N@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859216 724431129 /nfs/dbraw/zinc/43/11/29/724431129.db2.gz QELOFUOONDCEJE-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO CC(C)c1cn(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=S)n1C ZINC000782858648 724704840 /nfs/dbraw/zinc/70/48/40/724704840.db2.gz BRQDWXNCNKIVDU-UHFFFAOYSA-N 1 2 364.475 3.079 20 5 FGBDLO Cc1csc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)n1 ZINC000762072292 723212582 /nfs/dbraw/zinc/21/25/82/723212582.db2.gz AEZDHDRURZVYMT-UHFFFAOYSA-N 1 2 354.351 3.262 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792912317 723380969 /nfs/dbraw/zinc/38/09/69/723380969.db2.gz YJUIADIAOKFHDR-YVLXSGLVSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792912317 723380974 /nfs/dbraw/zinc/38/09/74/723380974.db2.gz YJUIADIAOKFHDR-YVLXSGLVSA-N 1 2 372.252 3.438 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796294941 723631074 /nfs/dbraw/zinc/63/10/74/723631074.db2.gz SMGLJTVELUTGSD-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796294941 723631075 /nfs/dbraw/zinc/63/10/75/723631075.db2.gz SMGLJTVELUTGSD-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796544532 723642831 /nfs/dbraw/zinc/64/28/31/723642831.db2.gz BSSNMNQNAKNXGB-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796544532 723642832 /nfs/dbraw/zinc/64/28/32/723642832.db2.gz BSSNMNQNAKNXGB-AWEZNQCLSA-N 1 2 355.822 3.301 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770392884 723713027 /nfs/dbraw/zinc/71/30/27/723713027.db2.gz ZSZVVOFNQYMWIL-LLVKDONJSA-N 1 2 363.805 3.393 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)c2c(Cl)c1 ZINC000777553203 724237864 /nfs/dbraw/zinc/23/78/64/724237864.db2.gz SADFUJXYFYAEET-OAHLLOKOSA-N 1 2 364.833 3.446 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H](OCC4CC4)C3)c2c(Cl)c1 ZINC000777553203 724237870 /nfs/dbraw/zinc/23/78/70/724237870.db2.gz SADFUJXYFYAEET-OAHLLOKOSA-N 1 2 364.833 3.446 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c(F)c1 ZINC000778180888 724307524 /nfs/dbraw/zinc/30/75/24/724307524.db2.gz XMCYLIARCMIVOJ-UHFFFAOYSA-N 1 2 366.780 3.221 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000788461919 725065721 /nfs/dbraw/zinc/06/57/21/725065721.db2.gz YWVBJZYNCYLSKW-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809696532 725259861 /nfs/dbraw/zinc/25/98/61/725259861.db2.gz LODHWHCPJIQMCY-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809696532 725259862 /nfs/dbraw/zinc/25/98/62/725259862.db2.gz LODHWHCPJIQMCY-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810039560 725284052 /nfs/dbraw/zinc/28/40/52/725284052.db2.gz DTAYTVUPXSLWAG-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810039560 725284053 /nfs/dbraw/zinc/28/40/53/725284053.db2.gz DTAYTVUPXSLWAG-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)c1 ZINC000811800338 725380497 /nfs/dbraw/zinc/38/04/97/725380497.db2.gz OTNMTGCKNRHZAL-CYBMUJFWSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)c1 ZINC000811800338 725380498 /nfs/dbraw/zinc/38/04/98/725380498.db2.gz OTNMTGCKNRHZAL-CYBMUJFWSA-N 1 2 360.805 3.007 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839612620 730136253 /nfs/dbraw/zinc/13/62/53/730136253.db2.gz BWBACMUPLFGAPB-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839612620 730136256 /nfs/dbraw/zinc/13/62/56/730136256.db2.gz BWBACMUPLFGAPB-AWEZNQCLSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847037657 731010052 /nfs/dbraw/zinc/01/00/52/731010052.db2.gz QAQDBWMDLBZCRI-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847037657 731010055 /nfs/dbraw/zinc/01/00/55/731010055.db2.gz QAQDBWMDLBZCRI-CQSZACIVSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Cl)nc1 ZINC000851883157 731514142 /nfs/dbraw/zinc/51/41/42/731514142.db2.gz OVTXSCYSZJYBPE-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Cl)nc1 ZINC000851883157 731514145 /nfs/dbraw/zinc/51/41/45/731514145.db2.gz OVTXSCYSZJYBPE-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000857057512 732098385 /nfs/dbraw/zinc/09/83/85/732098385.db2.gz ADTDWQXORNDMLN-OAHLLOKOSA-N 1 2 366.826 3.008 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000869311923 733716584 /nfs/dbraw/zinc/71/65/84/733716584.db2.gz ZDYQDFICBHMLBB-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000877901730 736740140 /nfs/dbraw/zinc/74/01/40/736740140.db2.gz STEJFQXDWBESSL-JTQLQIEISA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000877901730 736740142 /nfs/dbraw/zinc/74/01/42/736740142.db2.gz STEJFQXDWBESSL-JTQLQIEISA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880108852 737121613 /nfs/dbraw/zinc/12/16/13/737121613.db2.gz KFGWQJRBKZPMGR-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295907 737548601 /nfs/dbraw/zinc/54/86/01/737548601.db2.gz XEXCYXOXUJPNPI-SNVBAGLBSA-N 1 2 353.220 3.425 20 5 FGBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886756014 739292197 /nfs/dbraw/zinc/29/21/97/739292197.db2.gz ZUWAMMYXOMMPAQ-NSHDSACASA-N 1 2 367.500 3.236 20 5 FGBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886756014 739292199 /nfs/dbraw/zinc/29/21/99/739292199.db2.gz ZUWAMMYXOMMPAQ-NSHDSACASA-N 1 2 367.500 3.236 20 5 FGBDLO COc1c(O)ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1[N+](=O)[O-] ZINC000892956802 740063078 /nfs/dbraw/zinc/06/30/78/740063078.db2.gz XODDVHJRDBTBIB-UHFFFAOYSA-N 1 2 351.428 3.407 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1Br ZINC000922582832 758956021 /nfs/dbraw/zinc/95/60/21/758956021.db2.gz NRZSSBMAQBZHCA-AWEZNQCLSA-N 1 2 363.215 3.388 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000930531003 760634143 /nfs/dbraw/zinc/63/41/43/760634143.db2.gz GIBOXJSKUKJABU-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000930531003 760634145 /nfs/dbraw/zinc/63/41/45/760634145.db2.gz GIBOXJSKUKJABU-ZDUSSCGKSA-N 1 2 351.204 3.001 20 5 FGBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000931617567 760912907 /nfs/dbraw/zinc/91/29/07/760912907.db2.gz HHQUTMHGIBYVOZ-JTQLQIEISA-N 1 2 351.204 3.307 20 5 FGBDLO O=C1N[C@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)CO1 ZINC000932771953 761240319 /nfs/dbraw/zinc/24/03/19/761240319.db2.gz CXWBVYBVJQGRHF-ZDUSSCGKSA-N 1 2 374.224 3.222 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000014401805 211092712 /nfs/dbraw/zinc/09/27/12/211092712.db2.gz WWLZAXGEXUMFJD-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000025416971 257336197 /nfs/dbraw/zinc/33/61/97/257336197.db2.gz KHUIOQPWBDLUNC-HXUWFJFHSA-N 1 2 362.389 3.308 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3Cl)C2)c1 ZINC000376755650 257501739 /nfs/dbraw/zinc/50/17/39/257501739.db2.gz ANQONEFDWQTVSO-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)c1 ZINC000376755650 257501740 /nfs/dbraw/zinc/50/17/40/257501740.db2.gz ANQONEFDWQTVSO-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000573980519 505665747 /nfs/dbraw/zinc/66/57/47/505665747.db2.gz WVVVMAXJSSJULP-CQSZACIVSA-N 1 2 367.409 3.451 20 5 FGBDLO Cc1cc(NCC(=O)NC2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057829382 493804773 /nfs/dbraw/zinc/80/47/73/493804773.db2.gz ZXSKJUKFKWKDDD-UHFFFAOYSA-N 1 2 369.425 3.221 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000029086437 493814376 /nfs/dbraw/zinc/81/43/76/493814376.db2.gz BGVHIGADMCAIFX-CQSZACIVSA-N 1 2 360.370 3.048 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051376798 493965349 /nfs/dbraw/zinc/96/53/49/493965349.db2.gz POLXPIQHZLYSDN-UHFFFAOYSA-N 1 2 371.422 3.125 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COCc2ccccc2)cc1 ZINC000051451882 493970070 /nfs/dbraw/zinc/97/00/70/493970070.db2.gz TWWVZEJKBBRLKF-GOSISDBHSA-N 1 2 353.378 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COc2ccccc2F)cc1 ZINC000051451845 493970789 /nfs/dbraw/zinc/97/07/89/493970789.db2.gz PWONTNYQRGQRQJ-OAHLLOKOSA-N 1 2 357.341 3.037 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000051476265 493972462 /nfs/dbraw/zinc/97/24/62/493972462.db2.gz JKCNKCLCLFDDHO-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000051476265 493972463 /nfs/dbraw/zinc/97/24/63/493972463.db2.gz JKCNKCLCLFDDHO-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000008134926 494070480 /nfs/dbraw/zinc/07/04/80/494070480.db2.gz POMXPJKMHCBBBD-UHFFFAOYSA-N 1 2 370.434 3.161 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000077583964 494120423 /nfs/dbraw/zinc/12/04/23/494120423.db2.gz RTFOPJWRJHUZBX-UHFFFAOYSA-N 1 2 352.350 3.188 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009920102 494136535 /nfs/dbraw/zinc/13/65/35/494136535.db2.gz LSGSDFCHJKDCCB-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009920102 494136539 /nfs/dbraw/zinc/13/65/39/494136539.db2.gz LSGSDFCHJKDCCB-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087322174 494194507 /nfs/dbraw/zinc/19/45/07/494194507.db2.gz OEWGLTLFFWQFTP-UHFFFAOYSA-N 1 2 350.172 3.242 20 5 FGBDLO CCOc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054143425 494199791 /nfs/dbraw/zinc/19/97/91/494199791.db2.gz UWZIAHJFBOSPEJ-UHFFFAOYSA-N 1 2 366.377 3.109 20 5 FGBDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000054323358 494220721 /nfs/dbraw/zinc/22/07/21/494220721.db2.gz YTAZIULPLZCCAT-UHFFFAOYSA-N 1 2 369.849 3.324 20 5 FGBDLO Cn1c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000089868972 494386447 /nfs/dbraw/zinc/38/64/47/494386447.db2.gz WWUFFICUYMMEGM-UHFFFAOYSA-N 1 2 366.377 3.376 20 5 FGBDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000016564672 494394459 /nfs/dbraw/zinc/39/44/59/494394459.db2.gz QCGCKMMQLCWUER-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO CC(C)COC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000055909502 494426695 /nfs/dbraw/zinc/42/66/95/494426695.db2.gz IANCLIZJBAUOCR-UHFFFAOYSA-N 1 2 372.425 3.058 20 5 FGBDLO O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067093212 494474814 /nfs/dbraw/zinc/47/48/14/494474814.db2.gz AZUWKUHZZCBHKO-CVEARBPZSA-N 1 2 366.352 3.206 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000023773849 494583160 /nfs/dbraw/zinc/58/31/60/494583160.db2.gz HVIHCXOBYKQLTH-QGZVFWFLSA-N 1 2 350.378 3.156 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091702208 494650064 /nfs/dbraw/zinc/65/00/64/494650064.db2.gz XTZVSHRDLNYAKZ-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091702208 494650071 /nfs/dbraw/zinc/65/00/71/494650071.db2.gz XTZVSHRDLNYAKZ-ZDUSSCGKSA-N 1 2 358.398 3.020 20 5 FGBDLO Cc1noc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 ZINC000091837483 494699444 /nfs/dbraw/zinc/69/94/44/494699444.db2.gz FKLNOXLCHCTBFZ-UHFFFAOYSA-N 1 2 368.340 3.267 20 5 FGBDLO Cc1ccc(S(=O)(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1[N+](=O)[O-] ZINC000108639120 494755738 /nfs/dbraw/zinc/75/57/38/494755738.db2.gz BVHKYANXKWGEGD-UHFFFAOYSA-N 1 2 372.406 3.105 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126481784 494767087 /nfs/dbraw/zinc/76/70/87/494767087.db2.gz MDAYYFMMPUHAOF-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126481784 494767093 /nfs/dbraw/zinc/76/70/93/494767093.db2.gz MDAYYFMMPUHAOF-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092099058 494789963 /nfs/dbraw/zinc/78/99/63/494789963.db2.gz HFNPJALUOCTQHI-INIZCTEOSA-N 1 2 373.384 3.237 20 5 FGBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092099058 494789980 /nfs/dbraw/zinc/78/99/80/494789980.db2.gz HFNPJALUOCTQHI-INIZCTEOSA-N 1 2 373.384 3.237 20 5 FGBDLO Cc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000026215912 494810580 /nfs/dbraw/zinc/81/05/80/494810580.db2.gz NPAJSMYTHJCFIZ-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO Cc1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000093055855 494818110 /nfs/dbraw/zinc/81/81/10/494818110.db2.gz ZKZPWVHWFFWAOX-FNORWQNLSA-N 1 2 356.426 3.031 20 5 FGBDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093841177 494926204 /nfs/dbraw/zinc/92/62/04/494926204.db2.gz PZYOTJIWYICDSQ-GOSISDBHSA-N 1 2 368.393 3.162 20 5 FGBDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093841177 494926208 /nfs/dbraw/zinc/92/62/08/494926208.db2.gz PZYOTJIWYICDSQ-GOSISDBHSA-N 1 2 368.393 3.162 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109965963 494934871 /nfs/dbraw/zinc/93/48/71/494934871.db2.gz ACDOCUOBQBSOHD-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000110300071 494966269 /nfs/dbraw/zinc/96/62/69/494966269.db2.gz QTYXWBYJHLNHIF-QGZVFWFLSA-N 1 2 367.449 3.351 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000110300068 494966737 /nfs/dbraw/zinc/96/67/37/494966737.db2.gz QTYXWBYJHLNHIF-KRWDZBQOSA-N 1 2 367.449 3.351 20 5 FGBDLO CCc1nc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000110501465 494983724 /nfs/dbraw/zinc/98/37/24/494983724.db2.gz JKVVMLRCGGWNQE-NSHDSACASA-N 1 2 371.422 3.290 20 5 FGBDLO Cc1nc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000133631258 495038157 /nfs/dbraw/zinc/03/81/57/495038157.db2.gz BIELVGBMXGNIBP-QGZVFWFLSA-N 1 2 372.450 3.027 20 5 FGBDLO CCc1cc(NCCCO[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000128313290 495077868 /nfs/dbraw/zinc/07/78/68/495077868.db2.gz KXUGWCSFKUPEEN-KRWDZBQOSA-N 1 2 372.425 3.222 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000123283747 495108426 /nfs/dbraw/zinc/10/84/26/495108426.db2.gz HOPSDNITZBGKMB-KBPBESRZSA-N 1 2 352.398 3.291 20 5 FGBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134549691 495167277 /nfs/dbraw/zinc/16/72/77/495167277.db2.gz WHIOUNSITZYYGK-UHFFFAOYSA-N 1 2 365.176 3.479 20 5 FGBDLO CS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134567983 495169308 /nfs/dbraw/zinc/16/93/08/495169308.db2.gz JELBADOXJVFYBO-LBPRGKRZSA-N 1 2 357.863 3.404 20 5 FGBDLO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000134567983 495169309 /nfs/dbraw/zinc/16/93/09/495169309.db2.gz JELBADOXJVFYBO-LBPRGKRZSA-N 1 2 357.863 3.404 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000112668931 495220646 /nfs/dbraw/zinc/22/06/46/495220646.db2.gz FAFAJWKRPDYRNG-CMDGGOBGSA-N 1 2 354.410 3.050 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000103974898 495263487 /nfs/dbraw/zinc/26/34/87/495263487.db2.gz RPHQBOPFJSMTAV-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc([N+](=O)[O-])c1 ZINC000129658972 495276328 /nfs/dbraw/zinc/27/63/28/495276328.db2.gz KXJWDSCWCCGWMY-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc([N+](=O)[O-])c1 ZINC000129659174 495277493 /nfs/dbraw/zinc/27/74/93/495277493.db2.gz KXJWDSCWCCGWMY-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO CC[C@@]1(C)C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135678695 495325726 /nfs/dbraw/zinc/32/57/26/495325726.db2.gz CKWYLUQYADUIAK-KRWDZBQOSA-N 1 2 374.384 3.248 20 5 FGBDLO CC[C@@]1(C)C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000135678695 495325731 /nfs/dbraw/zinc/32/57/31/495325731.db2.gz CKWYLUQYADUIAK-KRWDZBQOSA-N 1 2 374.384 3.248 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130413413 495388516 /nfs/dbraw/zinc/38/85/16/495388516.db2.gz RAEQQXFNLZIFTO-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130413413 495388519 /nfs/dbraw/zinc/38/85/19/495388519.db2.gz RAEQQXFNLZIFTO-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000138889397 495469622 /nfs/dbraw/zinc/46/96/22/495469622.db2.gz HEVZFUYUVLQGHG-KRWDZBQOSA-N 1 2 371.393 3.085 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000138889397 495469629 /nfs/dbraw/zinc/46/96/29/495469629.db2.gz HEVZFUYUVLQGHG-KRWDZBQOSA-N 1 2 371.393 3.085 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139684640 495481736 /nfs/dbraw/zinc/48/17/36/495481736.db2.gz IAALPHJRCZGQNK-CYBMUJFWSA-N 1 2 358.398 3.351 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139684640 495481738 /nfs/dbraw/zinc/48/17/38/495481738.db2.gz IAALPHJRCZGQNK-CYBMUJFWSA-N 1 2 358.398 3.351 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179482872 495609100 /nfs/dbraw/zinc/60/91/00/495609100.db2.gz XZOQYPRHYIIMCV-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150693824 495609720 /nfs/dbraw/zinc/60/97/20/495609720.db2.gz QOFYQDIBDZSSER-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO COc1cc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1[N+](=O)[O-] ZINC000154440582 495615490 /nfs/dbraw/zinc/61/54/90/495615490.db2.gz RCBPPRZLYICCLC-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO CCOc1cc(NC(=O)c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1OCC ZINC000170862904 495631998 /nfs/dbraw/zinc/63/19/98/495631998.db2.gz HBQOZKPQFZSSNY-UHFFFAOYSA-N 1 2 370.365 3.292 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000182878698 495738880 /nfs/dbraw/zinc/73/88/80/495738880.db2.gz SDVAELCEKULXIU-HNNXBMFYSA-N 1 2 369.421 3.128 20 5 FGBDLO Cc1cccn2cc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000186196126 495892826 /nfs/dbraw/zinc/89/28/26/495892826.db2.gz JAWZTVAMQTWZOL-LBPRGKRZSA-N 1 2 356.357 3.110 20 5 FGBDLO CCc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000183300779 495921445 /nfs/dbraw/zinc/92/14/45/495921445.db2.gz CPDSOYYZYBQNGL-UHFFFAOYSA-N 1 2 360.483 3.240 20 5 FGBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000161147875 496114000 /nfs/dbraw/zinc/11/40/00/496114000.db2.gz IJWQKLWXDWUPHZ-PWSUYJOCSA-N 1 2 364.427 3.128 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000156074246 496150083 /nfs/dbraw/zinc/15/00/83/496150083.db2.gz UITRSYAJQKPLLH-AWEZNQCLSA-N 1 2 357.414 3.123 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000152753573 496246454 /nfs/dbraw/zinc/24/64/54/496246454.db2.gz LABCPMWMNXHQDB-UHFFFAOYSA-N 1 2 361.442 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152753573 496246457 /nfs/dbraw/zinc/24/64/57/496246457.db2.gz LABCPMWMNXHQDB-UHFFFAOYSA-N 1 2 361.442 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175122690 496256269 /nfs/dbraw/zinc/25/62/69/496256269.db2.gz OEMGDSFFNHOHSX-SFHVURJKSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175122690 496256274 /nfs/dbraw/zinc/25/62/74/496256274.db2.gz OEMGDSFFNHOHSX-SFHVURJKSA-N 1 2 356.426 3.407 20 5 FGBDLO COc1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1O ZINC000184246353 496302102 /nfs/dbraw/zinc/30/21/02/496302102.db2.gz BYBHNGJINLFSQO-UHFFFAOYSA-N 1 2 362.773 3.461 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1Cl ZINC000153296916 496411488 /nfs/dbraw/zinc/41/14/88/496411488.db2.gz AAHHMQVUAYXEQS-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1Cl ZINC000153296916 496411495 /nfs/dbraw/zinc/41/14/95/496411495.db2.gz AAHHMQVUAYXEQS-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178449193 496461503 /nfs/dbraw/zinc/46/15/03/496461503.db2.gz IFPCECPYFGZLES-UHFFFAOYSA-N 1 2 365.393 3.117 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc(C)c3[N+](=O)[O-])c2cc1C ZINC000153792457 496581977 /nfs/dbraw/zinc/58/19/77/496581977.db2.gz ZLKOPIBJOTWNSU-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO Cc1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000153810258 496587583 /nfs/dbraw/zinc/58/75/83/496587583.db2.gz LEUKWHMCWYXNIP-UHFFFAOYSA-N 1 2 355.398 3.042 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164427382 496610590 /nfs/dbraw/zinc/61/05/90/496610590.db2.gz KLFDCLVTOHWEDN-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO C[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000187907998 496615957 /nfs/dbraw/zinc/61/59/57/496615957.db2.gz ILBAQAKZWNYPOS-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO C[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000187907998 496615960 /nfs/dbraw/zinc/61/59/60/496615960.db2.gz ILBAQAKZWNYPOS-LLVKDONJSA-N 1 2 370.247 3.418 20 5 FGBDLO CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000173406489 496679086 /nfs/dbraw/zinc/67/90/86/496679086.db2.gz HFWJUVOHVKQAKW-UHFFFAOYSA-N 1 2 369.421 3.242 20 5 FGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1C ZINC000182208630 496708144 /nfs/dbraw/zinc/70/81/44/496708144.db2.gz IFRGUKDBARFXTP-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1C ZINC000182208630 496708151 /nfs/dbraw/zinc/70/81/51/496708151.db2.gz IFRGUKDBARFXTP-UHFFFAOYSA-N 1 2 362.451 3.199 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000185232907 496713266 /nfs/dbraw/zinc/71/32/66/496713266.db2.gz GBTJFZDXMBFEEZ-GFCCVEGCSA-N 1 2 356.357 3.110 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264219681 496841965 /nfs/dbraw/zinc/84/19/65/496841965.db2.gz KLBJBHYZGRDZJO-CQSZACIVSA-N 1 2 355.394 3.240 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195353565 496899923 /nfs/dbraw/zinc/89/99/23/496899923.db2.gz CJFLDMDUNFAOLJ-OLZOCXBDSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195353565 496899927 /nfs/dbraw/zinc/89/99/27/496899927.db2.gz CJFLDMDUNFAOLJ-OLZOCXBDSA-N 1 2 360.439 3.258 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269680605 496988666 /nfs/dbraw/zinc/98/86/66/496988666.db2.gz ZYPWJYPERLKJNU-UHFFFAOYSA-N 1 2 350.247 3.268 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248442126 497012803 /nfs/dbraw/zinc/01/28/03/497012803.db2.gz DWZTZEICBXELNM-XJKSGUPXSA-N 1 2 373.384 3.214 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248442126 497012805 /nfs/dbraw/zinc/01/28/05/497012805.db2.gz DWZTZEICBXELNM-XJKSGUPXSA-N 1 2 373.384 3.214 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])c1C ZINC000189140334 497020922 /nfs/dbraw/zinc/02/09/22/497020922.db2.gz GPVYLUZSVVJBMQ-UHFFFAOYSA-N 1 2 370.340 3.489 20 5 FGBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000269989415 497038176 /nfs/dbraw/zinc/03/81/76/497038176.db2.gz OVCQGAGCUUCXCW-UHFFFAOYSA-N 1 2 354.410 3.189 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000192695458 497186822 /nfs/dbraw/zinc/18/68/22/497186822.db2.gz YOYACIKYAIDFFY-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO CC(C)(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000265843871 497192052 /nfs/dbraw/zinc/19/20/52/497192052.db2.gz WGGLHVRGCADRRM-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249584664 497225047 /nfs/dbraw/zinc/22/50/47/497225047.db2.gz SNCQRLSAMMHBEU-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249584664 497225050 /nfs/dbraw/zinc/22/50/50/497225050.db2.gz SNCQRLSAMMHBEU-SJKOYZFVSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000271705036 497423514 /nfs/dbraw/zinc/42/35/14/497423514.db2.gz IJAMJVARWMDFGP-JKIFEVAISA-N 1 2 357.414 3.145 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245571768 497460535 /nfs/dbraw/zinc/46/05/35/497460535.db2.gz YAAALMCQFJCZGC-DLBZAZTESA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000245571768 497460538 /nfs/dbraw/zinc/46/05/38/497460538.db2.gz YAAALMCQFJCZGC-DLBZAZTESA-N 1 2 355.394 3.098 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279737762 497525842 /nfs/dbraw/zinc/52/58/42/497525842.db2.gz KGJVNNZFSTUUOI-WFASDCNBSA-N 1 2 360.414 3.453 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279737762 497525847 /nfs/dbraw/zinc/52/58/47/497525847.db2.gz KGJVNNZFSTUUOI-WFASDCNBSA-N 1 2 360.414 3.453 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000276306106 497540647 /nfs/dbraw/zinc/54/06/47/497540647.db2.gz LDDAWXIVRVWZAG-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000276306106 497540656 /nfs/dbraw/zinc/54/06/56/497540656.db2.gz LDDAWXIVRVWZAG-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO CC(=O)NC1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000263726177 497811265 /nfs/dbraw/zinc/81/12/65/497811265.db2.gz PDCBMXYIPRABJD-UHFFFAOYSA-N 1 2 369.425 3.219 20 5 FGBDLO Cc1[nH]nc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c1[N+](=O)[O-] ZINC000299559473 497848246 /nfs/dbraw/zinc/84/82/46/497848246.db2.gz SQSYJJYLHWNCTI-UHFFFAOYSA-N 1 2 366.381 3.078 20 5 FGBDLO O=C(C1CC[NH+](CC(F)F)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000280698088 497862911 /nfs/dbraw/zinc/86/29/11/497862911.db2.gz AGUCFSKESWOPGP-UHFFFAOYSA-N 1 2 367.396 3.063 20 5 FGBDLO Cc1ccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280812275 497908829 /nfs/dbraw/zinc/90/88/29/497908829.db2.gz MDPLCXZMVFDKIJ-MLGOLLRUSA-N 1 2 368.480 3.229 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000364429453 497953300 /nfs/dbraw/zinc/95/33/00/497953300.db2.gz ZIXDPBJYDMFZKQ-CYBMUJFWSA-N 1 2 351.366 3.424 20 5 FGBDLO CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128342 497963526 /nfs/dbraw/zinc/96/35/26/497963526.db2.gz VUZHEFDGBXKAPQ-WCQYABFASA-N 1 2 357.414 3.075 20 5 FGBDLO Cc1cc(NCc2nnc3ccccn32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301128275 497964319 /nfs/dbraw/zinc/96/43/19/497964319.db2.gz VSGPEDQIVQLYKQ-UHFFFAOYSA-N 1 2 361.365 3.015 20 5 FGBDLO COc1ccc([C@H](CNc2c(C)cccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301185489 497988955 /nfs/dbraw/zinc/98/89/55/497988955.db2.gz PARLCQQPROPDCZ-IBGZPJMESA-N 1 2 371.437 3.397 20 5 FGBDLO COc1cc(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301350685 498069962 /nfs/dbraw/zinc/06/99/62/498069962.db2.gz IRFFSGGYKLEUEZ-LJQANCHMSA-N 1 2 371.437 3.397 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285455136 498090496 /nfs/dbraw/zinc/09/04/96/498090496.db2.gz YVZHQBBZSHLLSV-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285455136 498090503 /nfs/dbraw/zinc/09/05/03/498090503.db2.gz YVZHQBBZSHLLSV-CQSZACIVSA-N 1 2 362.430 3.386 20 5 FGBDLO Cc1cnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000301463568 498120866 /nfs/dbraw/zinc/12/08/66/498120866.db2.gz VPSWXXSXFVCYJP-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO Cc1cnc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000301463568 498120868 /nfs/dbraw/zinc/12/08/68/498120868.db2.gz VPSWXXSXFVCYJP-UHFFFAOYSA-N 1 2 355.442 3.445 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000281497345 498171443 /nfs/dbraw/zinc/17/14/43/498171443.db2.gz FIVYFYPLGIMWSZ-MRXNPFEDSA-N 1 2 372.425 3.334 20 5 FGBDLO C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000296755474 498182645 /nfs/dbraw/zinc/18/26/45/498182645.db2.gz ILNXIWDVHHJONG-WFASDCNBSA-N 1 2 357.414 3.182 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(F)c1 ZINC000285726715 498183689 /nfs/dbraw/zinc/18/36/89/498183689.db2.gz UEBMMCKQTIHIPX-LLVKDONJSA-N 1 2 363.368 3.248 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(F)c1 ZINC000285726715 498183698 /nfs/dbraw/zinc/18/36/98/498183698.db2.gz UEBMMCKQTIHIPX-LLVKDONJSA-N 1 2 363.368 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(CCC3CCOCC3)no2)cc1-n1cc[nH+]c1 ZINC000351159344 498188217 /nfs/dbraw/zinc/18/82/17/498188217.db2.gz RVSFQPFTVSMHGB-UHFFFAOYSA-N 1 2 369.381 3.190 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000301616632 498189358 /nfs/dbraw/zinc/18/93/58/498189358.db2.gz AIBADTIGHWSAHC-CYBMUJFWSA-N 1 2 364.199 3.410 20 5 FGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000289571836 498198924 /nfs/dbraw/zinc/19/89/24/498198924.db2.gz QMCLDKUZEUODSW-UHFFFAOYSA-N 1 2 370.240 3.405 20 5 FGBDLO Cc1cc(N[C@@H]2c3ccccc3C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301842483 498288914 /nfs/dbraw/zinc/28/89/14/498288914.db2.gz JWMQNKFWOQCHDD-IEBWSBKVSA-N 1 2 362.389 3.430 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000302022938 498372774 /nfs/dbraw/zinc/37/27/74/498372774.db2.gz OTACFGUTMSZJFF-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000286389794 498382798 /nfs/dbraw/zinc/38/27/98/498382798.db2.gz GXTMLVCQLGFVAB-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Cl)c1 ZINC000286389794 498382793 /nfs/dbraw/zinc/38/27/93/498382793.db2.gz GXTMLVCQLGFVAB-CMPLNLGQSA-N 1 2 352.740 3.241 20 5 FGBDLO CN(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290122886 498434197 /nfs/dbraw/zinc/43/41/97/498434197.db2.gz YXOLBVVCQVIMKR-UHFFFAOYSA-N 1 2 360.241 3.202 20 5 FGBDLO CC[N@H+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290140439 498439682 /nfs/dbraw/zinc/43/96/82/498439682.db2.gz QVTOSPHENUZNGB-KRWDZBQOSA-N 1 2 353.382 3.005 20 5 FGBDLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290140439 498439684 /nfs/dbraw/zinc/43/96/84/498439684.db2.gz QVTOSPHENUZNGB-KRWDZBQOSA-N 1 2 353.382 3.005 20 5 FGBDLO COc1ccc([C@H](CNc2cccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000302519673 498498996 /nfs/dbraw/zinc/49/89/96/498498996.db2.gz WZAYMVLFAZEBMU-IBGZPJMESA-N 1 2 371.437 3.397 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365530653 498516193 /nfs/dbraw/zinc/51/61/93/498516193.db2.gz WXBGCZXMIUDCQT-QIXNEVBVSA-N 1 2 353.378 3.073 20 5 FGBDLO Cc1cc(N2CCC3(C2)CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000365645473 498576510 /nfs/dbraw/zinc/57/65/10/498576510.db2.gz CEDFDFRYNCICBG-UHFFFAOYSA-N 1 2 354.410 3.367 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000576057106 506066169 /nfs/dbraw/zinc/06/61/69/506066169.db2.gz IJAXINCIWWKURH-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000576057106 506066173 /nfs/dbraw/zinc/06/61/73/506066173.db2.gz IJAXINCIWWKURH-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO Cc1cc(C2=CC[N@H+](Cc3ncc([C@@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000366061402 498755905 /nfs/dbraw/zinc/75/59/05/498755905.db2.gz OQLRLBFUHOVZBX-GFCCVEGCSA-N 1 2 374.466 3.285 20 5 FGBDLO Cc1cc(C2=CC[N@@H+](Cc3ncc([C@@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000366061402 498755910 /nfs/dbraw/zinc/75/59/10/498755910.db2.gz OQLRLBFUHOVZBX-GFCCVEGCSA-N 1 2 374.466 3.285 20 5 FGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000294634633 498757270 /nfs/dbraw/zinc/75/72/70/498757270.db2.gz UNIOKDQZTQFLPK-LBPRGKRZSA-N 1 2 354.476 3.149 20 5 FGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000294634633 498757277 /nfs/dbraw/zinc/75/72/77/498757277.db2.gz UNIOKDQZTQFLPK-LBPRGKRZSA-N 1 2 354.476 3.149 20 5 FGBDLO Cc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291137021 498811712 /nfs/dbraw/zinc/81/17/12/498811712.db2.gz FMQUQBPLGUVSFY-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291137021 498811716 /nfs/dbraw/zinc/81/17/16/498811716.db2.gz FMQUQBPLGUVSFY-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581978017 506104164 /nfs/dbraw/zinc/10/41/64/506104164.db2.gz LOWGONXWXVYPFQ-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cc1F ZINC000579176995 506110096 /nfs/dbraw/zinc/11/00/96/506110096.db2.gz MQSXVQMQBWXBNX-QMMMGPOBSA-N 1 2 357.183 3.081 20 5 FGBDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366427254 498921571 /nfs/dbraw/zinc/92/15/71/498921571.db2.gz CGDUTNAWLNQHBI-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366427254 498921575 /nfs/dbraw/zinc/92/15/75/498921575.db2.gz CGDUTNAWLNQHBI-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000366494010 498952303 /nfs/dbraw/zinc/95/23/03/498952303.db2.gz PISRIKRVGVXDQF-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000366494010 498952312 /nfs/dbraw/zinc/95/23/12/498952312.db2.gz PISRIKRVGVXDQF-OAHLLOKOSA-N 1 2 359.430 3.086 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000288290883 498985607 /nfs/dbraw/zinc/98/56/07/498985607.db2.gz BLQMAEQGZGCZMD-UHFFFAOYSA-N 1 2 370.388 3.007 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000284340986 499092037 /nfs/dbraw/zinc/09/20/37/499092037.db2.gz CFPFCBCCEUPZBJ-DZGCQCFKSA-N 1 2 372.252 3.073 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000284340986 499092040 /nfs/dbraw/zinc/09/20/40/499092040.db2.gz CFPFCBCCEUPZBJ-DZGCQCFKSA-N 1 2 372.252 3.073 20 5 FGBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000370499535 499226170 /nfs/dbraw/zinc/22/61/70/499226170.db2.gz MXNSNLDCKDQDMS-SSDOTTSWSA-N 1 2 371.216 3.119 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370709278 499246665 /nfs/dbraw/zinc/24/66/65/499246665.db2.gz RNMWTCNPPFFREK-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370709278 499246666 /nfs/dbraw/zinc/24/66/66/499246666.db2.gz RNMWTCNPPFFREK-UHFFFAOYSA-N 1 2 353.850 3.329 20 5 FGBDLO Cc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371003182 499279429 /nfs/dbraw/zinc/27/94/29/499279429.db2.gz GRQWHJCWZFWCGN-HZPDHXFCSA-N 1 2 354.410 3.223 20 5 FGBDLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000368760948 499329058 /nfs/dbraw/zinc/32/90/58/499329058.db2.gz IFOKASZDZJIBFZ-QGZVFWFLSA-N 1 2 361.373 3.300 20 5 FGBDLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000368760948 499329060 /nfs/dbraw/zinc/32/90/60/499329060.db2.gz IFOKASZDZJIBFZ-QGZVFWFLSA-N 1 2 361.373 3.300 20 5 FGBDLO Cc1ccc(NC(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000369036642 499359010 /nfs/dbraw/zinc/35/90/10/499359010.db2.gz PSIBTHIKSATZIG-UHFFFAOYSA-N 1 2 369.425 3.431 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000369143028 499370422 /nfs/dbraw/zinc/37/04/22/499370422.db2.gz HADAHPGVMOGBDQ-CQSZACIVSA-N 1 2 351.366 3.424 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752909 499486494 /nfs/dbraw/zinc/48/64/94/499486494.db2.gz ZMSLJRYUIFEUIU-MAUKXSAKSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000373752909 499486495 /nfs/dbraw/zinc/48/64/95/499486495.db2.gz ZMSLJRYUIFEUIU-MAUKXSAKSA-N 1 2 370.405 3.425 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000376791428 499634376 /nfs/dbraw/zinc/63/43/76/499634376.db2.gz ARJGAMVGIJHZPL-NSHDSACASA-N 1 2 363.805 3.452 20 5 FGBDLO Cc1cc(C=C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC000377190168 499669314 /nfs/dbraw/zinc/66/93/14/499669314.db2.gz URQNYCMREAULHX-UHFFFAOYSA-N 1 2 358.354 3.479 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000378173050 499762019 /nfs/dbraw/zinc/76/20/19/499762019.db2.gz ONOQVPBDDWEYBC-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000412180154 499831323 /nfs/dbraw/zinc/83/13/23/499831323.db2.gz BCHKQGWCUFTHAK-RUGDWHBFSA-N 1 2 354.410 3.005 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000413120824 499916204 /nfs/dbraw/zinc/91/62/04/499916204.db2.gz SLFDOTRELLBZSN-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1CC(F)(F)C1 ZINC000413340065 499943090 /nfs/dbraw/zinc/94/30/90/499943090.db2.gz RFIXGONHENJXGO-UHFFFAOYSA-N 1 2 355.385 3.274 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429124515 500007632 /nfs/dbraw/zinc/00/76/32/500007632.db2.gz AZBFVWUJBPLEHI-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429124515 500007638 /nfs/dbraw/zinc/00/76/38/500007638.db2.gz AZBFVWUJBPLEHI-KBPBESRZSA-N 1 2 355.394 3.205 20 5 FGBDLO COc1ccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000429240005 500030817 /nfs/dbraw/zinc/03/08/17/500030817.db2.gz SIVSQZMRXCRDGY-CQSZACIVSA-N 1 2 359.401 3.453 20 5 FGBDLO COc1ccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000429240005 500030822 /nfs/dbraw/zinc/03/08/22/500030822.db2.gz SIVSQZMRXCRDGY-CQSZACIVSA-N 1 2 359.401 3.453 20 5 FGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000413785536 500057732 /nfs/dbraw/zinc/05/77/32/500057732.db2.gz QWIPWDLBHUWPAT-IPMKNSEASA-N 1 2 369.396 3.011 20 5 FGBDLO COc1cc(C[NH+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000429410932 500072394 /nfs/dbraw/zinc/07/23/94/500072394.db2.gz SCVMVLIZZHIISG-ZIAGYGMSSA-N 1 2 363.458 3.071 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000429870031 500159573 /nfs/dbraw/zinc/15/95/73/500159573.db2.gz RNVNEGFUIGNSPA-UHFFFAOYSA-N 1 2 370.453 3.430 20 5 FGBDLO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000426837581 500327077 /nfs/dbraw/zinc/32/70/77/500327077.db2.gz XMWAISJVONQPKS-CYBMUJFWSA-N 1 2 373.409 3.244 20 5 FGBDLO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000426837581 500327079 /nfs/dbraw/zinc/32/70/79/500327079.db2.gz XMWAISJVONQPKS-CYBMUJFWSA-N 1 2 373.409 3.244 20 5 FGBDLO Cc1cc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc(C)[nH+]1 ZINC000420653549 500483220 /nfs/dbraw/zinc/48/32/20/500483220.db2.gz OMKLAAQLBFSHRZ-UHFFFAOYSA-N 1 2 351.204 3.107 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432338467 500501020 /nfs/dbraw/zinc/50/10/20/500501020.db2.gz WIVXHRCYWDFABE-UHFFFAOYSA-N 1 2 350.806 3.175 20 5 FGBDLO Cc1cc(N2CCCC[C@@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447811619 500667862 /nfs/dbraw/zinc/66/78/62/500667862.db2.gz OFOABABUNMVTMC-WMLDXEAASA-N 1 2 356.426 3.490 20 5 FGBDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000448339093 500749263 /nfs/dbraw/zinc/74/92/63/500749263.db2.gz JNYCMVVTKRUKCW-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000448339093 500749265 /nfs/dbraw/zinc/74/92/65/500749265.db2.gz JNYCMVVTKRUKCW-LBPRGKRZSA-N 1 2 361.471 3.430 20 5 FGBDLO C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000448914370 500868409 /nfs/dbraw/zinc/86/84/09/500868409.db2.gz RYUCMFDGSFXNOO-UHFFFAOYSA-N 1 2 367.405 3.036 20 5 FGBDLO C[N@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000448914370 500868412 /nfs/dbraw/zinc/86/84/12/500868412.db2.gz RYUCMFDGSFXNOO-UHFFFAOYSA-N 1 2 367.405 3.036 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cn21 ZINC000592746294 506227750 /nfs/dbraw/zinc/22/77/50/506227750.db2.gz TYGULJMNLHHBLY-UHFFFAOYSA-N 1 2 366.421 3.187 20 5 FGBDLO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c(N2CCCC2)n1 ZINC000602598541 506228149 /nfs/dbraw/zinc/22/81/49/506228149.db2.gz WJEGMTCKBHLQHI-UHFFFAOYSA-N 1 2 367.409 3.329 20 5 FGBDLO CCc1nc(C(C)(C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000441239700 501107124 /nfs/dbraw/zinc/10/71/24/501107124.db2.gz ASKOVJYNFMAJSF-UHFFFAOYSA-N 1 2 371.397 3.263 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598942650 506237073 /nfs/dbraw/zinc/23/70/73/506237073.db2.gz NUUPWQIZOYSXDK-AWEZNQCLSA-N 1 2 374.466 3.284 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450833429 501215193 /nfs/dbraw/zinc/21/51/93/501215193.db2.gz SXBCJADSMHEKSR-UFBFGSQYSA-N 1 2 350.762 3.349 20 5 FGBDLO CCn1cc([C@@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000450879821 501223298 /nfs/dbraw/zinc/22/32/98/501223298.db2.gz VQGZBRQXEYKHFX-CYBMUJFWSA-N 1 2 352.398 3.172 20 5 FGBDLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436867667 501224194 /nfs/dbraw/zinc/22/41/94/501224194.db2.gz DYDUWKHVRKCGPG-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000453374234 501321488 /nfs/dbraw/zinc/32/14/88/501321488.db2.gz VZUMHNODUIRNMV-GFCCVEGCSA-N 1 2 368.397 3.024 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOCC34CCCCC4)n2)c1 ZINC000451810877 501377077 /nfs/dbraw/zinc/37/70/77/501377077.db2.gz DKIVHSSHPADMLL-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOCC34CCCCC4)n2)c1 ZINC000451810877 501377079 /nfs/dbraw/zinc/37/70/79/501377079.db2.gz DKIVHSSHPADMLL-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO CCc1nnc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602667292 506254235 /nfs/dbraw/zinc/25/42/35/506254235.db2.gz PLXQYZRAYGVWQL-UHFFFAOYSA-N 1 2 363.262 3.123 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000452333473 501480231 /nfs/dbraw/zinc/48/02/31/501480231.db2.gz JFYPUYNEDPARPC-UHFFFAOYSA-N 1 2 371.216 3.204 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1Br ZINC000602673918 506256663 /nfs/dbraw/zinc/25/66/63/506256663.db2.gz DKWMQBRRIVNOCP-NSHDSACASA-N 1 2 361.261 3.298 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1Br ZINC000602673918 506256666 /nfs/dbraw/zinc/25/66/66/506256666.db2.gz DKWMQBRRIVNOCP-NSHDSACASA-N 1 2 361.261 3.298 20 5 FGBDLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454335939 501516999 /nfs/dbraw/zinc/51/69/99/501516999.db2.gz YLOCBKNQVLZUDF-AWEZNQCLSA-N 1 2 369.425 3.019 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2[nH+]ccn21 ZINC000456398627 501517404 /nfs/dbraw/zinc/51/74/04/501517404.db2.gz CLQVXMGLEGFGRZ-PELKAZGASA-N 1 2 354.288 3.246 20 5 FGBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452893032 501581648 /nfs/dbraw/zinc/58/16/48/501581648.db2.gz WRTVTJZAMPANIH-MRXNPFEDSA-N 1 2 364.405 3.191 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2n1[C@H](C)CO ZINC000456704752 501582222 /nfs/dbraw/zinc/58/22/22/501582222.db2.gz IBMLTUBYATZZJJ-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2n1[C@@H](C)CO ZINC000456707764 501582711 /nfs/dbraw/zinc/58/27/11/501582711.db2.gz JLHBZMKUXJADAA-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454767837 501625601 /nfs/dbraw/zinc/62/56/01/501625601.db2.gz IDNVEODQCIECJL-LLVKDONJSA-N 1 2 365.821 3.068 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459586490 501681616 /nfs/dbraw/zinc/68/16/16/501681616.db2.gz JPTNJOPKDWDUFE-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459749261 501708097 /nfs/dbraw/zinc/70/80/97/501708097.db2.gz MESPFJHFAFEWET-UHFFFAOYSA-N 1 2 357.341 3.048 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459749261 501708098 /nfs/dbraw/zinc/70/80/98/501708098.db2.gz MESPFJHFAFEWET-UHFFFAOYSA-N 1 2 357.341 3.048 20 5 FGBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000481304879 501738693 /nfs/dbraw/zinc/73/86/93/501738693.db2.gz DFKXBCFTZOQYLX-CQSZACIVSA-N 1 2 366.377 3.402 20 5 FGBDLO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)Cn1cc[nH+]c1 ZINC000485409102 501812766 /nfs/dbraw/zinc/81/27/66/501812766.db2.gz QTJLDDUAFPFYAM-CYBMUJFWSA-N 1 2 355.373 3.163 20 5 FGBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602733967 506278202 /nfs/dbraw/zinc/27/82/02/506278202.db2.gz DUHCJHVUPCEKHQ-KRWDZBQOSA-N 1 2 374.466 3.209 20 5 FGBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602733967 506278210 /nfs/dbraw/zinc/27/82/10/506278210.db2.gz DUHCJHVUPCEKHQ-KRWDZBQOSA-N 1 2 374.466 3.209 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@@H]2CCN(CC(F)(F)F)C2)ccc2c[nH+]ccc21 ZINC000599026733 506285254 /nfs/dbraw/zinc/28/52/54/506285254.db2.gz YKBWCBACAWIFLJ-NSHDSACASA-N 1 2 354.332 3.439 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000468544838 502099688 /nfs/dbraw/zinc/09/96/88/502099688.db2.gz UILMHQVYHIMCCI-MRXNPFEDSA-N 1 2 374.393 3.391 20 5 FGBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000468544838 502099689 /nfs/dbraw/zinc/09/96/89/502099689.db2.gz UILMHQVYHIMCCI-MRXNPFEDSA-N 1 2 374.393 3.391 20 5 FGBDLO COc1cccc(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000475354016 502146758 /nfs/dbraw/zinc/14/67/58/502146758.db2.gz GNQHKAXEYIGJHP-GOSISDBHSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cc(NCc2ccccc2N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000471826022 502146922 /nfs/dbraw/zinc/14/69/22/502146922.db2.gz MAOIRAULIOUPRY-UHFFFAOYSA-N 1 2 363.421 3.460 20 5 FGBDLO C[C@@H](N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)C(F)(F)F ZINC000599055721 506299326 /nfs/dbraw/zinc/29/93/26/506299326.db2.gz OVHLSYOGQWBINZ-LLVKDONJSA-N 1 2 354.332 3.216 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC(c2ccccc2F)C1 ZINC000461989471 502264535 /nfs/dbraw/zinc/26/45/35/502264535.db2.gz PIRXPRJAMDHOCL-UHFFFAOYSA-N 1 2 371.412 3.170 20 5 FGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000599065813 506306742 /nfs/dbraw/zinc/30/67/42/506306742.db2.gz RGEZHMVTPOLMJX-LLVKDONJSA-N 1 2 354.332 3.216 20 5 FGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462477906 502455325 /nfs/dbraw/zinc/45/53/25/502455325.db2.gz GLNIPJNUZSWBNM-UHFFFAOYSA-N 1 2 367.409 3.292 20 5 FGBDLO CC(C)[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000473286720 502558964 /nfs/dbraw/zinc/55/89/64/502558964.db2.gz GDWBYBXBWRQTQK-FQEVSTJZSA-N 1 2 374.444 3.391 20 5 FGBDLO CCc1cc(NCCCC(C)(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462862781 502603686 /nfs/dbraw/zinc/60/36/86/502603686.db2.gz OIOAANLZICYXGY-UHFFFAOYSA-N 1 2 358.442 3.247 20 5 FGBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488190743 502653066 /nfs/dbraw/zinc/65/30/66/502653066.db2.gz SPQUQZBTEQOSAG-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488190743 502653071 /nfs/dbraw/zinc/65/30/71/502653071.db2.gz SPQUQZBTEQOSAG-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000484501342 502654800 /nfs/dbraw/zinc/65/48/00/502654800.db2.gz KCCXKSMXOMNFHW-CYBMUJFWSA-N 1 2 362.455 3.358 20 5 FGBDLO CCC[C@@H](CCO)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463058009 502678647 /nfs/dbraw/zinc/67/86/47/502678647.db2.gz WBXJKHLDVWANNZ-AWEZNQCLSA-N 1 2 358.442 3.247 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470149076 502679251 /nfs/dbraw/zinc/67/92/51/502679251.db2.gz YWNAUBVUHUPYQL-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000470201399 502703981 /nfs/dbraw/zinc/70/39/81/502703981.db2.gz HOZAKDFTPLYFAP-GHRIWEEISA-N 1 2 352.438 3.211 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463413218 502789507 /nfs/dbraw/zinc/78/95/07/502789507.db2.gz BWEGSJIMBGNRFO-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463413218 502789510 /nfs/dbraw/zinc/78/95/10/502789510.db2.gz BWEGSJIMBGNRFO-UHFFFAOYSA-N 1 2 367.405 3.095 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nc3ccccc3n1C(F)F)CC2 ZINC000495500992 502847792 /nfs/dbraw/zinc/84/77/92/502847792.db2.gz CHNFNHAFIXDIOL-UHFFFAOYSA-N 1 2 359.336 3.293 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nc3ccccc3n1C(F)F)CC2 ZINC000495500992 502847796 /nfs/dbraw/zinc/84/77/96/502847796.db2.gz CHNFNHAFIXDIOL-UHFFFAOYSA-N 1 2 359.336 3.293 20 5 FGBDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509248482 502859723 /nfs/dbraw/zinc/85/97/23/502859723.db2.gz QQHNFSPJECGAQD-LBPRGKRZSA-N 1 2 369.412 3.246 20 5 FGBDLO Cc1[nH+]c2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2n1C ZINC000596286031 506341136 /nfs/dbraw/zinc/34/11/36/506341136.db2.gz QSXITPGSQYCWOJ-UHFFFAOYSA-N 1 2 355.350 3.235 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000497134176 502923191 /nfs/dbraw/zinc/92/31/91/502923191.db2.gz VJICUNARAKJZFI-MRXNPFEDSA-N 1 2 374.384 3.104 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000497134176 502923195 /nfs/dbraw/zinc/92/31/95/502923195.db2.gz VJICUNARAKJZFI-MRXNPFEDSA-N 1 2 374.384 3.104 20 5 FGBDLO COc1ccc(OCC[N@@H+]2[C@H](C)COC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061420 502924496 /nfs/dbraw/zinc/92/44/96/502924496.db2.gz FGHSCRLUBRDLCR-BEFAXECRSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2[C@H](C)COC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061420 502924501 /nfs/dbraw/zinc/92/45/01/502924501.db2.gz FGHSCRLUBRDLCR-BEFAXECRSA-N 1 2 372.421 3.444 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c1 ZINC000593022189 506342412 /nfs/dbraw/zinc/34/24/12/506342412.db2.gz DBTYWHJTFIAMFV-OAHLLOKOSA-N 1 2 361.423 3.387 20 5 FGBDLO O=C(C[NH2+]C1(C(F)F)CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000510101825 503049978 /nfs/dbraw/zinc/04/99/78/503049978.db2.gz RSFHYACEHWJZIJ-UHFFFAOYSA-N 1 2 353.369 3.042 20 5 FGBDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000514189394 503107997 /nfs/dbraw/zinc/10/79/97/503107997.db2.gz HDCSUDGOSFRUDJ-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000490130420 503114347 /nfs/dbraw/zinc/11/43/47/503114347.db2.gz LGGAJRCNGOSQKQ-LJQANCHMSA-N 1 2 370.384 3.355 20 5 FGBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498141161 503116504 /nfs/dbraw/zinc/11/65/04/503116504.db2.gz VKGVCYGILJUXMP-KRWDZBQOSA-N 1 2 354.391 3.130 20 5 FGBDLO CSC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602920377 506353666 /nfs/dbraw/zinc/35/36/66/506353666.db2.gz NCJDJULJNALHES-JTQLQIEISA-N 1 2 357.863 3.403 20 5 FGBDLO O=C(NC1CCCCC1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506596876 503140475 /nfs/dbraw/zinc/14/04/75/503140475.db2.gz VYBBCTJNVSHUIN-VURMDHGXSA-N 1 2 372.469 3.268 20 5 FGBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059098 503244121 /nfs/dbraw/zinc/24/41/21/503244121.db2.gz KCMZISTYWPUZGL-AWEZNQCLSA-N 1 2 358.446 3.322 20 5 FGBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059098 503244123 /nfs/dbraw/zinc/24/41/23/503244123.db2.gz KCMZISTYWPUZGL-AWEZNQCLSA-N 1 2 358.446 3.322 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507242780 503257969 /nfs/dbraw/zinc/25/79/69/503257969.db2.gz NTNIIYQKDRAXIU-AWEZNQCLSA-N 1 2 366.364 3.135 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507242780 503257974 /nfs/dbraw/zinc/25/79/74/503257974.db2.gz NTNIIYQKDRAXIU-AWEZNQCLSA-N 1 2 366.364 3.135 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cc2cccc(F)c2)no1 ZINC000511128266 503263653 /nfs/dbraw/zinc/26/36/53/503263653.db2.gz YNDHMMGWDHZZFL-UHFFFAOYSA-N 1 2 370.384 3.382 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cc2cccc(F)c2)no1 ZINC000511128266 503263657 /nfs/dbraw/zinc/26/36/57/503263657.db2.gz YNDHMMGWDHZZFL-UHFFFAOYSA-N 1 2 370.384 3.382 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491040402 503264686 /nfs/dbraw/zinc/26/46/86/503264686.db2.gz VRPYRIGZTIFUHQ-HNNXBMFYSA-N 1 2 357.414 3.014 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000502906992 503304621 /nfs/dbraw/zinc/30/46/21/503304621.db2.gz KPAPTHMNUAGDGI-UHFFFAOYSA-N 1 2 358.369 3.467 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000502906992 503304624 /nfs/dbraw/zinc/30/46/24/503304624.db2.gz KPAPTHMNUAGDGI-UHFFFAOYSA-N 1 2 358.369 3.467 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649534 503362228 /nfs/dbraw/zinc/36/22/28/503362228.db2.gz QBGYYRXCAVCVCU-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649534 503362230 /nfs/dbraw/zinc/36/22/30/503362230.db2.gz QBGYYRXCAVCVCU-PWSUYJOCSA-N 1 2 352.740 3.241 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503199793 503366000 /nfs/dbraw/zinc/36/60/00/503366000.db2.gz XKJNOZKTKXOMTA-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503199793 503366003 /nfs/dbraw/zinc/36/60/03/503366003.db2.gz XKJNOZKTKXOMTA-OAHLLOKOSA-N 1 2 371.437 3.255 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492746508 503382384 /nfs/dbraw/zinc/38/23/84/503382384.db2.gz JNQHXFGFLYGRRQ-GFCCVEGCSA-N 1 2 361.364 3.062 20 5 FGBDLO CCOc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492746508 503382386 /nfs/dbraw/zinc/38/23/86/503382386.db2.gz JNQHXFGFLYGRRQ-GFCCVEGCSA-N 1 2 361.364 3.062 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccc(F)cn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493736065 503443204 /nfs/dbraw/zinc/44/32/04/503443204.db2.gz MPFLQINQVPFXQC-UHFFFAOYSA-N 1 2 371.315 3.071 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000516745220 503579330 /nfs/dbraw/zinc/57/93/30/503579330.db2.gz BXURNAXBLMZXDN-MRXNPFEDSA-N 1 2 354.414 3.415 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC(F)(F)F ZINC000533034317 503707494 /nfs/dbraw/zinc/70/74/94/503707494.db2.gz HWMCXZIGHPNARC-MRVPVSSYSA-N 1 2 353.728 3.459 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC(F)(F)F ZINC000533034317 503707497 /nfs/dbraw/zinc/70/74/97/503707497.db2.gz HWMCXZIGHPNARC-MRVPVSSYSA-N 1 2 353.728 3.459 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537154867 503820574 /nfs/dbraw/zinc/82/05/74/503820574.db2.gz KUECCKYIFURJOZ-GFCCVEGCSA-N 1 2 361.373 3.340 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517968222 503878255 /nfs/dbraw/zinc/87/82/55/503878255.db2.gz BUVVXDDEYWYCKE-PKOBYXMFSA-N 1 2 367.449 3.254 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517968222 503878257 /nfs/dbraw/zinc/87/82/57/503878257.db2.gz BUVVXDDEYWYCKE-PKOBYXMFSA-N 1 2 367.449 3.254 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000530736085 504069783 /nfs/dbraw/zinc/06/97/83/504069783.db2.gz GADRUVCCWXCAQY-UHFFFAOYSA-N 1 2 374.205 3.048 20 5 FGBDLO Cc1ccc(Cc2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c[nH+]1 ZINC000544278418 504070749 /nfs/dbraw/zinc/07/07/49/504070749.db2.gz IMCOGHDTUNFJRX-UHFFFAOYSA-N 1 2 362.349 3.125 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccccn3)o2)cc1 ZINC000530963031 504144430 /nfs/dbraw/zinc/14/44/30/504144430.db2.gz TZXHZNXUQUTQID-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccccn3)o2)cc1 ZINC000530963031 504144438 /nfs/dbraw/zinc/14/44/38/504144438.db2.gz TZXHZNXUQUTQID-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000538391243 504232267 /nfs/dbraw/zinc/23/22/67/504232267.db2.gz QSSUCPASNNGODQ-HNNXBMFYSA-N 1 2 373.413 3.089 20 5 FGBDLO Cc1ccc(C(C)(C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000544759152 504247229 /nfs/dbraw/zinc/24/72/29/504247229.db2.gz UMPUBKHOFWUOIH-UHFFFAOYSA-N 1 2 353.382 3.373 20 5 FGBDLO O=[N+]([O-])c1cccc2ncnc(NCc3[nH+]ccn3CCc3ccccc3)c21 ZINC000542507253 504518319 /nfs/dbraw/zinc/51/83/19/504518319.db2.gz LUQCGXLFMQTBOT-UHFFFAOYSA-N 1 2 374.404 3.011 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)cc1 ZINC000542519223 504523958 /nfs/dbraw/zinc/52/39/58/504523958.db2.gz LXELPMIPNOREEF-QGZVFWFLSA-N 1 2 351.366 3.281 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cc2[nH+]1 ZINC000539520588 504598031 /nfs/dbraw/zinc/59/80/31/504598031.db2.gz KZFZHXMACALZPY-UHFFFAOYSA-N 1 2 354.366 3.496 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549077458 504676535 /nfs/dbraw/zinc/67/65/35/504676535.db2.gz KJEYZEYDYZUVNZ-CABZTGNLSA-N 1 2 354.313 3.019 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549077458 504676539 /nfs/dbraw/zinc/67/65/39/504676539.db2.gz KJEYZEYDYZUVNZ-CABZTGNLSA-N 1 2 354.313 3.019 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532649617 504723497 /nfs/dbraw/zinc/72/34/97/504723497.db2.gz YITSGMRZMYVQHG-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532649617 504723501 /nfs/dbraw/zinc/72/35/01/504723501.db2.gz YITSGMRZMYVQHG-HNNXBMFYSA-N 1 2 360.801 3.419 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000549308031 504788171 /nfs/dbraw/zinc/78/81/71/504788171.db2.gz YLOHKUPNTNTBSH-UHFFFAOYSA-N 1 2 366.377 3.109 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000549535624 504844385 /nfs/dbraw/zinc/84/43/85/504844385.db2.gz HICTYXXXLXFNBS-CYBMUJFWSA-N 1 2 355.394 3.278 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000565331829 504856609 /nfs/dbraw/zinc/85/66/09/504856609.db2.gz LEIQGLGBLCSUFG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000565331829 504856612 /nfs/dbraw/zinc/85/66/12/504856612.db2.gz LEIQGLGBLCSUFG-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3c(C)cccc3[N+](=O)[O-])c2cc1C ZINC000559721532 504915431 /nfs/dbraw/zinc/91/54/31/504915431.db2.gz CFDOVYXDMVCHRU-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000553608053 504961975 /nfs/dbraw/zinc/96/19/75/504961975.db2.gz SYXWHTAPYHHROO-UHFFFAOYSA-N 1 2 374.404 3.403 20 5 FGBDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])ccc2NC1=O ZINC000554319515 505144332 /nfs/dbraw/zinc/14/43/32/505144332.db2.gz FGDMFXJVWWKUEP-GTNSWQLSSA-N 1 2 371.393 3.261 20 5 FGBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563494241 505155443 /nfs/dbraw/zinc/15/54/43/505155443.db2.gz HTVODMGMHKMLQL-JTQLQIEISA-N 1 2 361.364 3.349 20 5 FGBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563494241 505155447 /nfs/dbraw/zinc/15/54/47/505155447.db2.gz HTVODMGMHKMLQL-JTQLQIEISA-N 1 2 361.364 3.349 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3nc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000560815778 505192327 /nfs/dbraw/zinc/19/23/27/505192327.db2.gz HURVKZQUZIIHMN-JTQLQIEISA-N 1 2 358.354 3.406 20 5 FGBDLO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000557941805 505268855 /nfs/dbraw/zinc/26/88/55/505268855.db2.gz ZOOHNBVRCQVSQG-UHFFFAOYSA-N 1 2 352.350 3.101 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)cn1 ZINC000561209430 505281632 /nfs/dbraw/zinc/28/16/32/505281632.db2.gz DBHLMBSTIYXCDN-INIZCTEOSA-N 1 2 370.413 3.255 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000555010280 505327992 /nfs/dbraw/zinc/32/79/92/505327992.db2.gz DZNHXSNTXIPFQC-UHFFFAOYSA-N 1 2 366.377 3.314 20 5 FGBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000566985542 505331596 /nfs/dbraw/zinc/33/15/96/505331596.db2.gz NWOXJWSJOPQIDG-KBPBESRZSA-N 1 2 372.425 3.224 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555380568 505421929 /nfs/dbraw/zinc/42/19/29/505421929.db2.gz WTNRJYUWRBSHMH-CYBMUJFWSA-N 1 2 350.415 3.244 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555380568 505421932 /nfs/dbraw/zinc/42/19/32/505421932.db2.gz WTNRJYUWRBSHMH-CYBMUJFWSA-N 1 2 350.415 3.244 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000567312408 505424215 /nfs/dbraw/zinc/42/42/15/505424215.db2.gz QNNCILLRHUJIJG-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000567312408 505424220 /nfs/dbraw/zinc/42/42/20/505424220.db2.gz QNNCILLRHUJIJG-HKUYNNGSSA-N 1 2 358.394 3.235 20 5 FGBDLO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000552219930 505432053 /nfs/dbraw/zinc/43/20/53/505432053.db2.gz DUJLIPLGRWIAPR-UHFFFAOYSA-N 1 2 370.409 3.059 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552247074 505440123 /nfs/dbraw/zinc/44/01/23/505440123.db2.gz AVOBQQIMPSDFSO-KRWDZBQOSA-N 1 2 374.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2csc(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000552396066 505481827 /nfs/dbraw/zinc/48/18/27/505481827.db2.gz ANCZRQURKRQJEW-UHFFFAOYSA-N 1 2 367.434 3.440 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115612 506401982 /nfs/dbraw/zinc/40/19/82/506401982.db2.gz GSUFMMMQRINHJC-CYBMUJFWSA-N 1 2 357.385 3.334 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115612 506401989 /nfs/dbraw/zinc/40/19/89/506401989.db2.gz GSUFMMMQRINHJC-CYBMUJFWSA-N 1 2 357.385 3.334 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512548 506480804 /nfs/dbraw/zinc/48/08/04/506480804.db2.gz KBQOMZZYBBKNFK-VXGBXAGGSA-N 1 2 371.384 3.155 20 5 FGBDLO CCC(CC)[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000599657361 506557596 /nfs/dbraw/zinc/55/75/96/506557596.db2.gz HFKSCOWDOXTVKD-LJQANCHMSA-N 1 2 363.458 3.346 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@@H]21 ZINC000599657229 506558028 /nfs/dbraw/zinc/55/80/28/506558028.db2.gz XMUXHYCBQSSFGV-XHBSWPGZSA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@@H]21 ZINC000599657229 506558037 /nfs/dbraw/zinc/55/80/37/506558037.db2.gz XMUXHYCBQSSFGV-XHBSWPGZSA-N 1 2 354.353 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599661069 506561334 /nfs/dbraw/zinc/56/13/34/506561334.db2.gz UXUOKTYXIBWTSS-UHFFFAOYSA-N 1 2 366.421 3.100 20 5 FGBDLO CCCCn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603623750 506579671 /nfs/dbraw/zinc/57/96/71/506579671.db2.gz IXDBSGCGDTWUHO-UHFFFAOYSA-N 1 2 354.370 3.029 20 5 FGBDLO CCOC(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000600111087 506781180 /nfs/dbraw/zinc/78/11/80/506781180.db2.gz DWMCJMBRTXLQNO-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000600111087 506781186 /nfs/dbraw/zinc/78/11/86/506781186.db2.gz DWMCJMBRTXLQNO-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131595 506786335 /nfs/dbraw/zinc/78/63/35/506786335.db2.gz TXTLJEHRNGWBDU-AWEZNQCLSA-N 1 2 356.407 3.483 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)C1(F)F ZINC000600185765 506828484 /nfs/dbraw/zinc/82/84/84/506828484.db2.gz LZLIIVXYZMKVLU-TXEJJXNPSA-N 1 2 364.352 3.144 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594026345 506892987 /nfs/dbraw/zinc/89/29/87/506892987.db2.gz JMSQWKUSOHUPSY-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594026345 506892995 /nfs/dbraw/zinc/89/29/95/506892995.db2.gz JMSQWKUSOHUPSY-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609622999 506950658 /nfs/dbraw/zinc/95/06/58/506950658.db2.gz CDMHJSFVGPZWGQ-JTQLQIEISA-N 1 2 360.757 3.302 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)cc1SC ZINC000609623116 506951120 /nfs/dbraw/zinc/95/11/20/506951120.db2.gz NSZSEDHDOGFOGZ-UHFFFAOYSA-N 1 2 358.379 3.225 20 5 FGBDLO CC(C)[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC12CCC2 ZINC000583769372 506963009 /nfs/dbraw/zinc/96/30/09/506963009.db2.gz CSPDMXWSPIBGJO-KRWDZBQOSA-N 1 2 354.410 3.431 20 5 FGBDLO Cc1ccn2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH+]c2c1 ZINC000609792587 507003186 /nfs/dbraw/zinc/00/31/86/507003186.db2.gz CPANNFUUNBJQRD-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000600593273 507023076 /nfs/dbraw/zinc/02/30/76/507023076.db2.gz VQYQVKYWBJVFEW-GOSISDBHSA-N 1 2 360.385 3.040 20 5 FGBDLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059291 507085360 /nfs/dbraw/zinc/08/53/60/507085360.db2.gz NJMXOMRUNODRGG-UHFFFAOYSA-N 1 2 373.478 3.278 20 5 FGBDLO O=C(C1CCCC1)N1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591151086 507133469 /nfs/dbraw/zinc/13/34/69/507133469.db2.gz JBDVYXOMXIOGIO-HNNXBMFYSA-N 1 2 354.410 3.346 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc([N+](=O)[O-])c1OC ZINC000610310655 507187631 /nfs/dbraw/zinc/18/76/31/507187631.db2.gz XILZVJSKWVTHGA-UHFFFAOYSA-N 1 2 370.365 3.059 20 5 FGBDLO COc1ccc(C[NH2+]Cc2c(OC)cc(F)cc2OC)cc1[N+](=O)[O-] ZINC000601103364 507261425 /nfs/dbraw/zinc/26/14/25/507261425.db2.gz VDBHMHLYKNXPSG-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(O)(Cc4ccncc4)CC3)c2c1 ZINC000601181157 507289461 /nfs/dbraw/zinc/28/94/61/507289461.db2.gz ATMWIHGPISLZER-UHFFFAOYSA-N 1 2 364.405 3.112 20 5 FGBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000601535685 507382745 /nfs/dbraw/zinc/38/27/45/507382745.db2.gz QJFCTDBPJORUDQ-UHFFFAOYSA-N 1 2 372.400 3.287 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000610788389 507390713 /nfs/dbraw/zinc/39/07/13/507390713.db2.gz HHUSRLKRNANOAP-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000610788389 507390723 /nfs/dbraw/zinc/39/07/23/507390723.db2.gz HHUSRLKRNANOAP-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000595311673 507457569 /nfs/dbraw/zinc/45/75/69/507457569.db2.gz FJNPSLZPAMGHAO-MRXNPFEDSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000595311673 507457579 /nfs/dbraw/zinc/45/75/79/507457579.db2.gz FJNPSLZPAMGHAO-MRXNPFEDSA-N 1 2 361.348 3.110 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCCC2)O1 ZINC000592187208 507528995 /nfs/dbraw/zinc/52/89/95/507528995.db2.gz IFJLPCMKIOJADY-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCCC2)O1 ZINC000592187208 507529001 /nfs/dbraw/zinc/52/90/01/507529001.db2.gz IFJLPCMKIOJADY-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO O=C(C[NH2+][C@@H](C(F)F)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000598649320 507533433 /nfs/dbraw/zinc/53/34/33/507533433.db2.gz LWZUTQVWTKVGJW-QGZVFWFLSA-N 1 2 367.396 3.288 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502879 507534888 /nfs/dbraw/zinc/53/48/88/507534888.db2.gz XBSCPMJRTFBSSE-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502879 507534892 /nfs/dbraw/zinc/53/48/92/507534892.db2.gz XBSCPMJRTFBSSE-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2c[nH+]c[nH]2)cc1OC ZINC000595591165 507580488 /nfs/dbraw/zinc/58/04/88/507580488.db2.gz FLJQHNKHDCSDIL-CYBMUJFWSA-N 1 2 362.430 3.383 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2c[nH]c[nH+]2)cc1OC ZINC000595591165 507580492 /nfs/dbraw/zinc/58/04/92/507580492.db2.gz FLJQHNKHDCSDIL-CYBMUJFWSA-N 1 2 362.430 3.383 20 5 FGBDLO CCN1C[C@H](C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000611253123 507581331 /nfs/dbraw/zinc/58/13/31/507581331.db2.gz MVPAYFKOSZVPTN-INIZCTEOSA-N 1 2 357.410 3.020 20 5 FGBDLO CCN1C[C@H](C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])Oc2ccccc21 ZINC000611253123 507581336 /nfs/dbraw/zinc/58/13/36/507581336.db2.gz MVPAYFKOSZVPTN-INIZCTEOSA-N 1 2 357.410 3.020 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276571 507601351 /nfs/dbraw/zinc/60/13/51/507601351.db2.gz LTATZCGGFCPBTE-NXEZZACHSA-N 1 2 358.238 3.473 20 5 FGBDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000598797822 507605953 /nfs/dbraw/zinc/60/59/53/507605953.db2.gz SCTKIFFCMDOWRR-ZDUSSCGKSA-N 1 2 351.410 3.312 20 5 FGBDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000598797822 507605960 /nfs/dbraw/zinc/60/59/60/507605960.db2.gz SCTKIFFCMDOWRR-ZDUSSCGKSA-N 1 2 351.410 3.312 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595658366 507618211 /nfs/dbraw/zinc/61/82/11/507618211.db2.gz UKGHYDRYCTYVHW-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595658366 507618213 /nfs/dbraw/zinc/61/82/13/507618213.db2.gz UKGHYDRYCTYVHW-UHFFFAOYSA-N 1 2 368.220 3.122 20 5 FGBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000614925208 507695232 /nfs/dbraw/zinc/69/52/32/507695232.db2.gz WQQQBXODNBFXDU-CQSZACIVSA-N 1 2 359.304 3.279 20 5 FGBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000614925208 507695235 /nfs/dbraw/zinc/69/52/35/507695235.db2.gz WQQQBXODNBFXDU-CQSZACIVSA-N 1 2 359.304 3.279 20 5 FGBDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)s1 ZINC000595915412 507742528 /nfs/dbraw/zinc/74/25/28/507742528.db2.gz QRUXVCKVJCNZIR-NSHDSACASA-N 1 2 367.452 3.279 20 5 FGBDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)s1 ZINC000595915412 507742533 /nfs/dbraw/zinc/74/25/33/507742533.db2.gz QRUXVCKVJCNZIR-NSHDSACASA-N 1 2 367.452 3.279 20 5 FGBDLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546053 507744291 /nfs/dbraw/zinc/74/42/91/507744291.db2.gz OEBSUQLBZYRASZ-CYBMUJFWSA-N 1 2 355.350 3.358 20 5 FGBDLO Cc1nc(C)c(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000103821189 700490571 /nfs/dbraw/zinc/49/05/71/700490571.db2.gz DIZZFZMYLMOWET-UHFFFAOYSA-N 1 2 358.379 3.211 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccnc1Cl ZINC000130925317 700807941 /nfs/dbraw/zinc/80/79/41/700807941.db2.gz ULXZRRRDTWEXFQ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccnc1Cl ZINC000130925317 700807943 /nfs/dbraw/zinc/80/79/43/700807943.db2.gz ULXZRRRDTWEXFQ-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000131028840 700809349 /nfs/dbraw/zinc/80/93/49/700809349.db2.gz RBUQCFBLWFGHRW-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000131028840 700809351 /nfs/dbraw/zinc/80/93/51/700809351.db2.gz RBUQCFBLWFGHRW-CYBMUJFWSA-N 1 2 360.863 3.037 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154925014 705055617 /nfs/dbraw/zinc/05/56/17/705055617.db2.gz IHIGBDWOOGVTOS-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[NH+](C)[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000803424089 724449700 /nfs/dbraw/zinc/44/97/00/724449700.db2.gz IICCRVMUILHBNH-MRXNPFEDSA-N 1 2 350.321 3.219 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755893482 722958081 /nfs/dbraw/zinc/95/80/81/722958081.db2.gz DOWIGUQQVBNEEL-GFCCVEGCSA-N 1 2 361.423 3.280 20 5 FGBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])n2C ZINC000769938195 723701453 /nfs/dbraw/zinc/70/14/53/723701453.db2.gz VDNOPXONVOTIAP-UHFFFAOYSA-N 1 2 360.801 3.433 20 5 FGBDLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000775557902 724000343 /nfs/dbraw/zinc/00/03/43/724000343.db2.gz JYAOCLPTDJXKIR-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801561754 724313501 /nfs/dbraw/zinc/31/35/01/724313501.db2.gz QXUNMPADWJVMBK-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801561754 724313505 /nfs/dbraw/zinc/31/35/05/724313505.db2.gz QXUNMPADWJVMBK-UHFFFAOYSA-N 1 2 365.430 3.242 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805773414 725093492 /nfs/dbraw/zinc/09/34/92/725093492.db2.gz QRPIYYIVTIQGPQ-HNNXBMFYSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000805773414 725093496 /nfs/dbraw/zinc/09/34/96/725093496.db2.gz QRPIYYIVTIQGPQ-HNNXBMFYSA-N 1 2 353.394 3.225 20 5 FGBDLO Cc1cnc(OC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000847031603 731009609 /nfs/dbraw/zinc/00/96/09/731009609.db2.gz BCCIIZNUOLXQJH-UHFFFAOYSA-N 1 2 362.817 3.390 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852047330 731537777 /nfs/dbraw/zinc/53/77/77/731537777.db2.gz ZTPRYXXYBALHOT-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852047330 731537780 /nfs/dbraw/zinc/53/77/80/731537780.db2.gz ZTPRYXXYBALHOT-OAHLLOKOSA-N 1 2 353.394 3.223 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000883295224 737548361 /nfs/dbraw/zinc/54/83/61/737548361.db2.gz AGLFLWLKSRVYPR-LBPRGKRZSA-N 1 2 351.204 3.179 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898497400 742800581 /nfs/dbraw/zinc/80/05/81/742800581.db2.gz CAKMDSALDUCPDS-ZDUSSCGKSA-N 1 2 369.462 3.259 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898497400 742800587 /nfs/dbraw/zinc/80/05/87/742800587.db2.gz CAKMDSALDUCPDS-ZDUSSCGKSA-N 1 2 369.462 3.259 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3cccs3)no2)cc1-n1cc[nH+]c1 ZINC000904344329 743948401 /nfs/dbraw/zinc/94/84/01/743948401.db2.gz VPZAQRMDZVQBNJ-UHFFFAOYSA-N 1 2 353.363 3.483 20 5 FGBDLO CC(C)[N@@H+](Cc1cccc(Br)c1)Cn1nccc1[N+](=O)[O-] ZINC000919955461 758493616 /nfs/dbraw/zinc/49/36/16/758493616.db2.gz ZYGWLJFGUBMGNM-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)[N@H+](Cc1cccc(Br)c1)Cn1nccc1[N+](=O)[O-] ZINC000919955461 758493620 /nfs/dbraw/zinc/49/36/20/758493620.db2.gz ZYGWLJFGUBMGNM-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927087969 759889734 /nfs/dbraw/zinc/88/97/34/759889734.db2.gz SFQJMHOUWBZHTJ-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927091860 759889814 /nfs/dbraw/zinc/88/98/14/759889814.db2.gz PASZBYVEKGMTQO-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000934315284 761593755 /nfs/dbraw/zinc/59/37/55/761593755.db2.gz LQOYDSOSCXNODY-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000934315284 761593760 /nfs/dbraw/zinc/59/37/60/761593760.db2.gz LQOYDSOSCXNODY-UHFFFAOYSA-N 1 2 362.817 3.310 20 5 FGBDLO O=C1[C@@H](Sc2[nH+]cc3ccccn32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067428719 221252743 /nfs/dbraw/zinc/25/27/43/221252743.db2.gz SPJUZHDLADOLCA-HNNXBMFYSA-N 1 2 354.391 3.140 20 5 FGBDLO Cc1c(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000081089317 493829465 /nfs/dbraw/zinc/82/94/65/493829465.db2.gz GQMQVDABBGEAEH-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cn21 ZINC000068570710 493843645 /nfs/dbraw/zinc/84/36/45/493843645.db2.gz IWIMJCOOQCAYOX-UHFFFAOYSA-N 1 2 367.409 3.059 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029658615 493850130 /nfs/dbraw/zinc/85/01/30/493850130.db2.gz SHZQUNLFOITIAJ-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029658615 493850132 /nfs/dbraw/zinc/85/01/32/493850132.db2.gz SHZQUNLFOITIAJ-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO CN1CC[NH+](C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910662 493893657 /nfs/dbraw/zinc/89/36/57/493893657.db2.gz SBOPPWURRMEUFU-SFHVURJKSA-N 1 2 358.417 3.135 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031314159 493938329 /nfs/dbraw/zinc/93/83/29/493938329.db2.gz VUWXJOROXBFSAD-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000060843173 493955703 /nfs/dbraw/zinc/95/57/03/493955703.db2.gz MFDNIWKNSWWXJI-NSHDSACASA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000060843173 493955707 /nfs/dbraw/zinc/95/57/07/493955707.db2.gz MFDNIWKNSWWXJI-NSHDSACASA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COc2ccccc2F)cc1 ZINC000051451846 493970713 /nfs/dbraw/zinc/97/07/13/493970713.db2.gz PWONTNYQRGQRQJ-HNNXBMFYSA-N 1 2 357.341 3.037 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000032499568 493993733 /nfs/dbraw/zinc/99/37/33/493993733.db2.gz CFBBUSPESPZUTH-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)on1 ZINC000052009084 493998621 /nfs/dbraw/zinc/99/86/21/493998621.db2.gz HHRVOPCXYFTUCG-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)on1 ZINC000052009084 493998623 /nfs/dbraw/zinc/99/86/23/493998623.db2.gz HHRVOPCXYFTUCG-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589796 494043943 /nfs/dbraw/zinc/04/39/43/494043943.db2.gz HDYYMQTZMYSQLV-UHFFFAOYSA-N 1 2 353.422 3.222 20 5 FGBDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589796 494043947 /nfs/dbraw/zinc/04/39/47/494043947.db2.gz HDYYMQTZMYSQLV-UHFFFAOYSA-N 1 2 353.422 3.222 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)n1 ZINC000071951301 494111621 /nfs/dbraw/zinc/11/16/21/494111621.db2.gz XZEGGBZRPCLGJR-UHFFFAOYSA-N 1 2 369.469 3.447 20 5 FGBDLO CC(C)Cc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000042047619 494196600 /nfs/dbraw/zinc/19/66/00/494196600.db2.gz YAKIDQOHLGHLRN-UHFFFAOYSA-N 1 2 372.410 3.083 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088494253 494243907 /nfs/dbraw/zinc/24/39/07/494243907.db2.gz OTZVRHNVVPMKCE-MRXNPFEDSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088494253 494243909 /nfs/dbraw/zinc/24/39/09/494243909.db2.gz OTZVRHNVVPMKCE-MRXNPFEDSA-N 1 2 361.348 3.110 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000088606503 494252995 /nfs/dbraw/zinc/25/29/95/494252995.db2.gz AUDZCFMXJJXCEU-UHFFFAOYSA-N 1 2 369.465 3.038 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000088606503 494252999 /nfs/dbraw/zinc/25/29/99/494252999.db2.gz AUDZCFMXJJXCEU-UHFFFAOYSA-N 1 2 369.465 3.038 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836286 494260511 /nfs/dbraw/zinc/26/05/11/494260511.db2.gz UDHYRCRJZGPQDO-BLLLJJGKSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836286 494260513 /nfs/dbraw/zinc/26/05/13/494260513.db2.gz UDHYRCRJZGPQDO-BLLLJJGKSA-N 1 2 367.471 3.004 20 5 FGBDLO Cn1c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2[nH+]c1C(C)(C)C ZINC000089870976 494387750 /nfs/dbraw/zinc/38/77/50/494387750.db2.gz KPXOCWUKGLFYRX-UHFFFAOYSA-N 1 2 370.413 3.004 20 5 FGBDLO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016475625 494392481 /nfs/dbraw/zinc/39/24/81/494392481.db2.gz WOZNRHYSCWJANU-QWRGUYRKSA-N 1 2 370.247 3.274 20 5 FGBDLO Cc1[nH]c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2[nH+]1 ZINC000045056749 494394631 /nfs/dbraw/zinc/39/46/31/494394631.db2.gz CYDHFHNWLPFPBI-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO Cc1[nH]c2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc2[nH+]1 ZINC000045056749 494394633 /nfs/dbraw/zinc/39/46/33/494394633.db2.gz CYDHFHNWLPFPBI-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)Cc3ccccc3)co2)cc1 ZINC000089892820 494395114 /nfs/dbraw/zinc/39/51/14/494395114.db2.gz BFFVIKQOHILMOQ-UHFFFAOYSA-N 1 2 353.378 3.244 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)Cc3ccccc3)co2)cc1 ZINC000089892820 494395118 /nfs/dbraw/zinc/39/51/18/494395118.db2.gz BFFVIKQOHILMOQ-UHFFFAOYSA-N 1 2 353.378 3.244 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000079102742 494405040 /nfs/dbraw/zinc/40/50/40/494405040.db2.gz VUVGARKKBIWWER-UHFFFAOYSA-N 1 2 355.398 3.302 20 5 FGBDLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OC ZINC000046105588 494495439 /nfs/dbraw/zinc/49/54/39/494495439.db2.gz ZSGIQYXQVAXKIC-UHFFFAOYSA-N 1 2 368.349 3.050 20 5 FGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046342296 494517935 /nfs/dbraw/zinc/51/79/35/494517935.db2.gz CUVIGMPIGSQBQQ-GJZGRUSLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376435 494526665 /nfs/dbraw/zinc/52/66/65/494526665.db2.gz CAEFFGHOYQEFHC-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376435 494526670 /nfs/dbraw/zinc/52/66/70/494526670.db2.gz CAEFFGHOYQEFHC-QGZVFWFLSA-N 1 2 361.348 3.110 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000131433060 494617778 /nfs/dbraw/zinc/61/77/78/494617778.db2.gz XMCJOMGVXWSFCJ-APWZRJJASA-N 1 2 357.454 3.134 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000131433060 494617779 /nfs/dbraw/zinc/61/77/79/494617779.db2.gz XMCJOMGVXWSFCJ-APWZRJJASA-N 1 2 357.454 3.134 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067753181 494634203 /nfs/dbraw/zinc/63/42/03/494634203.db2.gz GXHJFWWBTNWTPH-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000057220813 494685114 /nfs/dbraw/zinc/68/51/14/494685114.db2.gz ZPOGKDSSLABLSD-CYBMUJFWSA-N 1 2 353.382 3.111 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815117 494688921 /nfs/dbraw/zinc/68/89/21/494688921.db2.gz VZTGPVLLGHYODP-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815117 494688928 /nfs/dbraw/zinc/68/89/28/494688928.db2.gz VZTGPVLLGHYODP-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000092758837 494739025 /nfs/dbraw/zinc/73/90/25/494739025.db2.gz XLOPAESQSGPMIM-INIZCTEOSA-N 1 2 370.453 3.348 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)c1 ZINC000047743180 494768796 /nfs/dbraw/zinc/76/87/96/494768796.db2.gz XCHDNUKEJDDHLP-UHFFFAOYSA-N 1 2 354.366 3.165 20 5 FGBDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026190121 494807456 /nfs/dbraw/zinc/80/74/56/494807456.db2.gz YEFJSVUMBWERQS-AWEZNQCLSA-N 1 2 357.410 3.371 20 5 FGBDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026190121 494807464 /nfs/dbraw/zinc/80/74/64/494807464.db2.gz YEFJSVUMBWERQS-AWEZNQCLSA-N 1 2 357.410 3.371 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000132084985 494816560 /nfs/dbraw/zinc/81/65/60/494816560.db2.gz JSDXFCFIPVZYOB-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126809560 494841885 /nfs/dbraw/zinc/84/18/85/494841885.db2.gz KFSUMVIJXCUHIO-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126809560 494841888 /nfs/dbraw/zinc/84/18/88/494841888.db2.gz KFSUMVIJXCUHIO-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1cc(NCCCOC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126917805 494862204 /nfs/dbraw/zinc/86/22/04/494862204.db2.gz CLWFXROVKHSOJY-KRWDZBQOSA-N 1 2 372.425 3.358 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121879559 494881057 /nfs/dbraw/zinc/88/10/57/494881057.db2.gz XKUGIXLOXWZGMV-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121879559 494881059 /nfs/dbraw/zinc/88/10/59/494881059.db2.gz XKUGIXLOXWZGMV-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000577543264 505747832 /nfs/dbraw/zinc/74/78/32/505747832.db2.gz KWTGCYTWOJMSEN-KRWDZBQOSA-N 1 2 374.441 3.129 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420709 494890353 /nfs/dbraw/zinc/89/03/53/494890353.db2.gz LCXVUDLAYGMPQJ-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093420709 494890357 /nfs/dbraw/zinc/89/03/57/494890357.db2.gz LCXVUDLAYGMPQJ-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)on1 ZINC000122374420 494965349 /nfs/dbraw/zinc/96/53/49/494965349.db2.gz VRYXPAFJZPAJEI-UHFFFAOYSA-N 1 2 358.442 3.332 20 5 FGBDLO Cc1cc(CN2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)on1 ZINC000122374420 494965351 /nfs/dbraw/zinc/96/53/51/494965351.db2.gz VRYXPAFJZPAJEI-UHFFFAOYSA-N 1 2 358.442 3.332 20 5 FGBDLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000122458529 494979389 /nfs/dbraw/zinc/97/93/89/494979389.db2.gz AMVXKRJBDCOALX-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124410595 495282412 /nfs/dbraw/zinc/28/24/12/495282412.db2.gz FYLSECAGDATSPF-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC(C)(C)C ZINC000104682087 495296752 /nfs/dbraw/zinc/29/67/52/495296752.db2.gz AGXAQODQYWICAT-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC(C)(C)C ZINC000104682087 495296757 /nfs/dbraw/zinc/29/67/57/495296757.db2.gz AGXAQODQYWICAT-UHFFFAOYSA-N 1 2 361.398 3.066 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000120312592 495349516 /nfs/dbraw/zinc/34/95/16/495349516.db2.gz JNWBEEABQKDNKV-CYBMUJFWSA-N 1 2 374.466 3.145 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125132054 495394700 /nfs/dbraw/zinc/39/47/00/495394700.db2.gz QLXFUKMPCZIBHG-MRXNPFEDSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125132054 495394702 /nfs/dbraw/zinc/39/47/02/495394702.db2.gz QLXFUKMPCZIBHG-MRXNPFEDSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000139595373 495480147 /nfs/dbraw/zinc/48/01/47/495480147.db2.gz CKPTWYAAKLPAIO-UHFFFAOYSA-N 1 2 351.366 3.377 20 5 FGBDLO Cc1cc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000115411076 495500543 /nfs/dbraw/zinc/50/05/43/495500543.db2.gz KUHOBNGATWSKSG-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574505405 505787617 /nfs/dbraw/zinc/78/76/17/505787617.db2.gz VXGFBYCQEJXUGE-ZDUSSCGKSA-N 1 2 352.394 3.173 20 5 FGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000179392989 495574431 /nfs/dbraw/zinc/57/44/31/495574431.db2.gz JXAWWRCRVRWFBS-CYBMUJFWSA-N 1 2 359.430 3.162 20 5 FGBDLO COCC1=CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000185874949 495759532 /nfs/dbraw/zinc/75/95/32/495759532.db2.gz HXKFLPBRRBNJRH-UHFFFAOYSA-N 1 2 372.368 3.026 20 5 FGBDLO COCC1=CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000185874949 495759536 /nfs/dbraw/zinc/75/95/36/495759536.db2.gz HXKFLPBRRBNJRH-UHFFFAOYSA-N 1 2 372.368 3.026 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154881007 495759682 /nfs/dbraw/zinc/75/96/82/495759682.db2.gz RSIVJYZDHZXDHB-UHFFFAOYSA-N 1 2 371.422 3.077 20 5 FGBDLO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015115 495788289 /nfs/dbraw/zinc/78/82/89/495788289.db2.gz DXLHBTMQLMTNFH-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015115 495788292 /nfs/dbraw/zinc/78/82/92/495788292.db2.gz DXLHBTMQLMTNFH-MNOVXSKESA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000180141274 495876820 /nfs/dbraw/zinc/87/68/20/495876820.db2.gz UKKZUVWLIUDIRJ-CYBMUJFWSA-N 1 2 359.407 3.227 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cc(F)cc([N+](=O)[O-])c3)c2cc1C ZINC000155276959 495901979 /nfs/dbraw/zinc/90/19/79/495901979.db2.gz TUFVLUZCSYCXMZ-HNNXBMFYSA-N 1 2 359.357 3.140 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160941661 496072696 /nfs/dbraw/zinc/07/26/96/496072696.db2.gz VVOLOWBGEJKCTD-UHFFFAOYSA-N 1 2 372.450 3.064 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171919565 496092175 /nfs/dbraw/zinc/09/21/75/496092175.db2.gz XUBFGBQFCYRGNK-SFHVURJKSA-N 1 2 372.421 3.210 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171919565 496092180 /nfs/dbraw/zinc/09/21/80/496092180.db2.gz XUBFGBQFCYRGNK-SFHVURJKSA-N 1 2 372.421 3.210 20 5 FGBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000574645070 505823228 /nfs/dbraw/zinc/82/32/28/505823228.db2.gz KFHVFCCRXFCOIB-LLVKDONJSA-N 1 2 361.348 3.113 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186692596 496110048 /nfs/dbraw/zinc/11/00/48/496110048.db2.gz WXZFBUKYQAIMPF-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186692596 496110054 /nfs/dbraw/zinc/11/00/54/496110054.db2.gz WXZFBUKYQAIMPF-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000152448490 496155096 /nfs/dbraw/zinc/15/50/96/496155096.db2.gz PMTIXQMFOVPZOG-GFCCVEGCSA-N 1 2 360.801 3.042 20 5 FGBDLO COc1c(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c(C)nn1C ZINC000161734720 496229640 /nfs/dbraw/zinc/22/96/40/496229640.db2.gz NOOJDVMSWKCUNU-UHFFFAOYSA-N 1 2 368.397 3.023 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172346383 496263481 /nfs/dbraw/zinc/26/34/81/496263481.db2.gz FSIJIGVUTGAPJG-UHFFFAOYSA-N 1 2 356.407 3.437 20 5 FGBDLO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184738456 496513827 /nfs/dbraw/zinc/51/38/27/496513827.db2.gz CJSNGEQZUAZUQC-UHFFFAOYSA-N 1 2 370.409 3.059 20 5 FGBDLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184962366 496601984 /nfs/dbraw/zinc/60/19/84/496601984.db2.gz SYEGNLZZAYOUKV-UHFFFAOYSA-N 1 2 357.410 3.024 20 5 FGBDLO Cc1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000154058930 496670287 /nfs/dbraw/zinc/67/02/87/496670287.db2.gz IPKZMUQOAPNSCL-HNNXBMFYSA-N 1 2 355.394 3.310 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182199208 496704026 /nfs/dbraw/zinc/70/40/26/496704026.db2.gz WUDJJVMVZTZQKA-ZDUSSCGKSA-N 1 2 366.414 3.201 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182199208 496704031 /nfs/dbraw/zinc/70/40/31/496704031.db2.gz WUDJJVMVZTZQKA-ZDUSSCGKSA-N 1 2 366.414 3.201 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195017502 496792800 /nfs/dbraw/zinc/79/28/00/496792800.db2.gz SOTABAZRESTKJF-GOSISDBHSA-N 1 2 360.435 3.315 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195017502 496792805 /nfs/dbraw/zinc/79/28/05/496792805.db2.gz SOTABAZRESTKJF-GOSISDBHSA-N 1 2 360.435 3.315 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247536442 496883383 /nfs/dbraw/zinc/88/33/83/496883383.db2.gz JTXISTHDVBPHFJ-MPGHIAIKSA-N 1 2 371.441 3.453 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000195336158 496894720 /nfs/dbraw/zinc/89/47/20/496894720.db2.gz SEZRPMIDEQFGSC-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192490970 497131373 /nfs/dbraw/zinc/13/13/73/497131373.db2.gz ZDSLABBVRFRTKM-GJZGRUSLSA-N 1 2 362.455 3.143 20 5 FGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192490970 497131375 /nfs/dbraw/zinc/13/13/75/497131375.db2.gz ZDSLABBVRFRTKM-GJZGRUSLSA-N 1 2 362.455 3.143 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000278489666 497131501 /nfs/dbraw/zinc/13/15/01/497131501.db2.gz WDNYPTVLYNZRBU-NSHDSACASA-N 1 2 367.331 3.342 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000192557580 497149457 /nfs/dbraw/zinc/14/94/57/497149457.db2.gz MGRIIDSPCYPNFK-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000192557580 497149461 /nfs/dbraw/zinc/14/94/61/497149461.db2.gz MGRIIDSPCYPNFK-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000192606029 497162251 /nfs/dbraw/zinc/16/22/51/497162251.db2.gz MAPIDTCZTVVQJF-ZDUSSCGKSA-N 1 2 358.398 3.003 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000192638314 497171736 /nfs/dbraw/zinc/17/17/36/497171736.db2.gz NRRSZIZECLYLRJ-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000192638314 497171740 /nfs/dbraw/zinc/17/17/40/497171740.db2.gz NRRSZIZECLYLRJ-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663562 497173682 /nfs/dbraw/zinc/17/36/82/497173682.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663562 497173686 /nfs/dbraw/zinc/17/36/86/497173686.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000270663562 497173692 /nfs/dbraw/zinc/17/36/92/497173692.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000270663562 497173694 /nfs/dbraw/zinc/17/36/94/497173694.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270663562 497173699 /nfs/dbraw/zinc/17/36/99/497173699.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270663562 497173701 /nfs/dbraw/zinc/17/37/01/497173701.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 1 2 368.397 3.056 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278882132 497254014 /nfs/dbraw/zinc/25/40/14/497254014.db2.gz DCEVCLKRQJDDDW-UHFFFAOYSA-N 1 2 368.437 3.076 20 5 FGBDLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc([N+](=O)[O-])c1 ZINC000278933367 497272581 /nfs/dbraw/zinc/27/25/81/497272581.db2.gz KFKVCKGXOFTMCD-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000268059408 497670407 /nfs/dbraw/zinc/67/04/07/497670407.db2.gz SSCJXMKSVWUTPU-DZGCQCFKSA-N 1 2 357.414 3.277 20 5 FGBDLO CSCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000194513396 497691154 /nfs/dbraw/zinc/69/11/54/497691154.db2.gz KCYWFVHIIADJMY-AWEZNQCLSA-N 1 2 357.439 3.222 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246495138 497753457 /nfs/dbraw/zinc/75/34/57/497753457.db2.gz DUYWINKFRAUXEC-WQGACYEGSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246495138 497753458 /nfs/dbraw/zinc/75/34/58/497753458.db2.gz DUYWINKFRAUXEC-WQGACYEGSA-N 1 2 367.833 3.076 20 5 FGBDLO Cc1cc(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000301108981 497954761 /nfs/dbraw/zinc/95/47/61/497954761.db2.gz XQZJCWTYJNWPDQ-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000288993683 497972864 /nfs/dbraw/zinc/97/28/64/497972864.db2.gz DIYOUWNAAYESLV-UHFFFAOYSA-N 1 2 361.423 3.261 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000288993683 497972873 /nfs/dbraw/zinc/97/28/73/497972873.db2.gz DIYOUWNAAYESLV-UHFFFAOYSA-N 1 2 361.423 3.261 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285341330 498057058 /nfs/dbraw/zinc/05/70/58/498057058.db2.gz OVQJTJOPRXRFAK-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285341330 498057066 /nfs/dbraw/zinc/05/70/66/498057066.db2.gz OVQJTJOPRXRFAK-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO CCc1cc(N[C@H]2CCC[C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301334775 498062155 /nfs/dbraw/zinc/06/21/55/498062155.db2.gz BTGAVVZXYONOIX-HIFRSBDPSA-N 1 2 369.425 3.070 20 5 FGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cc2ccccc2)no1 ZINC000285446634 498087708 /nfs/dbraw/zinc/08/77/08/498087708.db2.gz XZOBISOCYYRVCQ-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(Cc2ccccc2)no1 ZINC000285446634 498087715 /nfs/dbraw/zinc/08/77/15/498087715.db2.gz XZOBISOCYYRVCQ-UHFFFAOYSA-N 1 2 352.394 3.243 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000281366308 498122120 /nfs/dbraw/zinc/12/21/20/498122120.db2.gz CDZDIRPAVUMRTH-OAHLLOKOSA-N 1 2 369.425 3.428 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1C(F)(F)F ZINC000301501209 498136920 /nfs/dbraw/zinc/13/69/20/498136920.db2.gz DWKYTKAMBFWHLR-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO CC(C)(C)c1nccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000301500892 498137175 /nfs/dbraw/zinc/13/71/75/498137175.db2.gz DTCIVKIZQMHPDT-UHFFFAOYSA-N 1 2 355.442 3.005 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289487480 498165072 /nfs/dbraw/zinc/16/50/72/498165072.db2.gz IUBNKNAGMHJWRR-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289487480 498165079 /nfs/dbraw/zinc/16/50/79/498165079.db2.gz IUBNKNAGMHJWRR-RDJZCZTQSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000289487478 498165971 /nfs/dbraw/zinc/16/59/71/498165971.db2.gz IUBNKNAGMHJWRR-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000289487478 498165977 /nfs/dbraw/zinc/16/59/77/498165977.db2.gz IUBNKNAGMHJWRR-NVXWUHKLSA-N 1 2 370.409 3.178 20 5 FGBDLO CNC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289551034 498190252 /nfs/dbraw/zinc/19/02/52/498190252.db2.gz DGTPHKNVUKPNIZ-UHFFFAOYSA-N 1 2 360.241 3.250 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285754369 498191220 /nfs/dbraw/zinc/19/12/20/498191220.db2.gz RBTHXNZASZBDBW-WDEREUQCSA-N 1 2 364.352 3.254 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000581467736 505995386 /nfs/dbraw/zinc/99/53/86/505995386.db2.gz KCRITUNLWLIWMH-CYBMUJFWSA-N 1 2 374.441 3.415 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000581467736 505995390 /nfs/dbraw/zinc/99/53/90/505995390.db2.gz KCRITUNLWLIWMH-CYBMUJFWSA-N 1 2 374.441 3.415 20 5 FGBDLO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000301840890 498289688 /nfs/dbraw/zinc/28/96/88/498289688.db2.gz YLQOKYGFMPUAPA-NSHDSACASA-N 1 2 352.398 3.435 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281877624 498302381 /nfs/dbraw/zinc/30/23/81/498302381.db2.gz DAACWJLLEYPRFO-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000281884756 498305958 /nfs/dbraw/zinc/30/59/58/498305958.db2.gz DJCAPOWEWOFKLW-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@@H]3CC(F)F)o2)c1 ZINC000286286600 498350691 /nfs/dbraw/zinc/35/06/91/498350691.db2.gz CPFPWMFZEMOBTK-AWEZNQCLSA-N 1 2 367.352 3.148 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@@H]3CC(F)F)o2)c1 ZINC000286286600 498350696 /nfs/dbraw/zinc/35/06/96/498350696.db2.gz CPFPWMFZEMOBTK-AWEZNQCLSA-N 1 2 367.352 3.148 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282212156 498425418 /nfs/dbraw/zinc/42/54/18/498425418.db2.gz GRUJWNFCKHQVJH-INIZCTEOSA-N 1 2 368.437 3.456 20 5 FGBDLO CCc1cc(NCCc2ccnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302177293 498428974 /nfs/dbraw/zinc/42/89/74/498428974.db2.gz WVRVUOUSITYWNU-UHFFFAOYSA-N 1 2 352.398 3.002 20 5 FGBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000581680588 506043431 /nfs/dbraw/zinc/04/34/31/506043431.db2.gz CDLILYROWLLMMN-MRXNPFEDSA-N 1 2 357.439 3.476 20 5 FGBDLO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365529838 498516773 /nfs/dbraw/zinc/51/67/73/498516773.db2.gz RRWAISITRHHNFS-IRXDYDNUSA-N 1 2 359.430 3.121 20 5 FGBDLO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365529838 498516775 /nfs/dbraw/zinc/51/67/75/498516775.db2.gz RRWAISITRHHNFS-IRXDYDNUSA-N 1 2 359.430 3.121 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000365800655 498645802 /nfs/dbraw/zinc/64/58/02/498645802.db2.gz ZCGWEZIYJFPDRQ-ZDUSSCGKSA-N 1 2 373.369 3.143 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000365800655 498645812 /nfs/dbraw/zinc/64/58/12/498645812.db2.gz ZCGWEZIYJFPDRQ-ZDUSSCGKSA-N 1 2 373.369 3.143 20 5 FGBDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116508 498668640 /nfs/dbraw/zinc/66/86/40/498668640.db2.gz OSYUQAYLDZXWFK-CYBMUJFWSA-N 1 2 353.382 3.014 20 5 FGBDLO Cc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000332491739 498702731 /nfs/dbraw/zinc/70/27/31/498702731.db2.gz ZVWLYNADUIXETQ-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298240683 498706130 /nfs/dbraw/zinc/70/61/30/498706130.db2.gz IYNIRNFSMSYUMD-GFCCVEGCSA-N 1 2 369.849 3.466 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332724802 498776146 /nfs/dbraw/zinc/77/61/46/498776146.db2.gz YAZUQQMFMKAOAV-ZDUSSCGKSA-N 1 2 356.426 3.142 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2)c1C ZINC000291217766 498849098 /nfs/dbraw/zinc/84/90/98/498849098.db2.gz OPYGDDZRKMVQDV-UHFFFAOYSA-N 1 2 368.397 3.496 20 5 FGBDLO Cc1cc(NCc2nnc(C(C)C)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294965459 498865197 /nfs/dbraw/zinc/86/51/97/498865197.db2.gz NKACIBZSUPJYKO-UHFFFAOYSA-N 1 2 353.386 3.214 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000364042572 499096572 /nfs/dbraw/zinc/09/65/72/499096572.db2.gz ORIUONTVOQPAGN-IRXDYDNUSA-N 1 2 370.453 3.362 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000370161079 499189941 /nfs/dbraw/zinc/18/99/41/499189941.db2.gz JBWDAMWJWXJORJ-PWSUYJOCSA-N 1 2 369.347 3.162 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000579293180 506138140 /nfs/dbraw/zinc/13/81/40/506138140.db2.gz RNDGMSUNVOFSGC-UHFFFAOYSA-N 1 2 357.414 3.054 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000371377793 499317356 /nfs/dbraw/zinc/31/73/56/499317356.db2.gz FFNHAUVCZDFPLK-NSHDSACASA-N 1 2 368.340 3.267 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000371377793 499317357 /nfs/dbraw/zinc/31/73/57/499317357.db2.gz FFNHAUVCZDFPLK-NSHDSACASA-N 1 2 368.340 3.267 20 5 FGBDLO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372274081 499415648 /nfs/dbraw/zinc/41/56/48/499415648.db2.gz PKMHFKDEMJRVCP-LBPRGKRZSA-N 1 2 366.853 3.139 20 5 FGBDLO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372274081 499415649 /nfs/dbraw/zinc/41/56/49/499415649.db2.gz PKMHFKDEMJRVCP-LBPRGKRZSA-N 1 2 366.853 3.139 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCn2cc[nH+]c21 ZINC000373270600 499460814 /nfs/dbraw/zinc/46/08/14/499460814.db2.gz MJQKORFXAXEQBU-ZDUSSCGKSA-N 1 2 368.315 3.004 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)c1 ZINC000373584679 499478241 /nfs/dbraw/zinc/47/82/41/499478241.db2.gz LRUDXJPQFSGRNL-CQSZACIVSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)c1 ZINC000373584679 499478242 /nfs/dbraw/zinc/47/82/42/499478242.db2.gz LRUDXJPQFSGRNL-CQSZACIVSA-N 1 2 370.438 3.147 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000373766805 499486934 /nfs/dbraw/zinc/48/69/34/499486934.db2.gz APZNJKQBNDLFRK-CYBMUJFWSA-N 1 2 353.382 3.035 20 5 FGBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])o1 ZINC000378278081 499497524 /nfs/dbraw/zinc/49/75/24/499497524.db2.gz SVPISBREMJLCMV-UHFFFAOYSA-N 1 2 350.334 3.355 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000375770723 499554128 /nfs/dbraw/zinc/55/41/28/499554128.db2.gz IXYIAPIOMQVPLV-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000375770723 499554130 /nfs/dbraw/zinc/55/41/30/499554130.db2.gz IXYIAPIOMQVPLV-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377388218 499685976 /nfs/dbraw/zinc/68/59/76/499685976.db2.gz DCVYULUQAFSOLD-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377388218 499685977 /nfs/dbraw/zinc/68/59/77/499685977.db2.gz DCVYULUQAFSOLD-LLVKDONJSA-N 1 2 355.822 3.076 20 5 FGBDLO CSc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000411024111 499690795 /nfs/dbraw/zinc/69/07/95/499690795.db2.gz UOHRGWREFBTNCP-AWEZNQCLSA-N 1 2 360.439 3.274 20 5 FGBDLO CCn1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)n1 ZINC000414476898 499797064 /nfs/dbraw/zinc/79/70/64/499797064.db2.gz BRYSLKBIFIWKJI-UHFFFAOYSA-N 1 2 356.382 3.370 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411876797 499798909 /nfs/dbraw/zinc/79/89/09/499798909.db2.gz QKFDKFASYBZKQJ-WBMJQRKESA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411876797 499798910 /nfs/dbraw/zinc/79/89/10/499798910.db2.gz QKFDKFASYBZKQJ-WBMJQRKESA-N 1 2 358.398 3.207 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412135560 499826657 /nfs/dbraw/zinc/82/66/57/499826657.db2.gz SUKGKVNJCHZZLS-UHFFFAOYSA-N 1 2 360.414 3.165 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000412185304 499831776 /nfs/dbraw/zinc/83/17/76/499831776.db2.gz LWDAPZKNEWVCSZ-MRXNPFEDSA-N 1 2 371.393 3.071 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000412185303 499831804 /nfs/dbraw/zinc/83/18/04/499831804.db2.gz LWDAPZKNEWVCSZ-INIZCTEOSA-N 1 2 371.393 3.071 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000412191993 499832259 /nfs/dbraw/zinc/83/22/59/499832259.db2.gz ZLWZMRIJVZVRKI-RHSMWYFYSA-N 1 2 372.425 3.302 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412298886 499842529 /nfs/dbraw/zinc/84/25/29/499842529.db2.gz HCDUUUDNHSUAQQ-ZWKOTPCHSA-N 1 2 370.453 3.396 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000412373784 499849888 /nfs/dbraw/zinc/84/98/88/499849888.db2.gz NKAUEHNPNIRGHD-XHSDSOJGSA-N 1 2 354.410 3.042 20 5 FGBDLO O=[N+]([O-])c1cnc(NC2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000413057712 499908146 /nfs/dbraw/zinc/90/81/46/499908146.db2.gz YOWHZLHXAYKGCN-UHFFFAOYSA-N 1 2 367.331 3.485 20 5 FGBDLO COc1cccc([C@H](C)[NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c1 ZINC000413127727 499916979 /nfs/dbraw/zinc/91/69/79/499916979.db2.gz VYRMERIGUMMRFU-ZDUSSCGKSA-N 1 2 360.389 3.021 20 5 FGBDLO O=C1CCCCN1CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413167170 499921580 /nfs/dbraw/zinc/92/15/80/499921580.db2.gz LGQDNXWQPUOSKM-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000579404249 506166061 /nfs/dbraw/zinc/16/60/61/506166061.db2.gz BDDFOCKNAPEOIC-UHFFFAOYSA-N 1 2 362.389 3.433 20 5 FGBDLO Cc1cc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421372943 500029676 /nfs/dbraw/zinc/02/96/76/500029676.db2.gz GGCGNRYNOSPVRT-GOSISDBHSA-N 1 2 351.410 3.219 20 5 FGBDLO CN(CCc1cccs1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799129 500664178 /nfs/dbraw/zinc/66/41/78/500664178.db2.gz FRIXPOJJSPEKLF-UHFFFAOYSA-N 1 2 361.467 3.167 20 5 FGBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000447802114 500665242 /nfs/dbraw/zinc/66/52/42/500665242.db2.gz HIMBXYVVQATXBP-INIZCTEOSA-N 1 2 371.437 3.306 20 5 FGBDLO CCC(CC)(CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803937 500665940 /nfs/dbraw/zinc/66/59/40/500665940.db2.gz CJUGOMKSORQSDV-UHFFFAOYSA-N 1 2 365.474 3.028 20 5 FGBDLO CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448930076 500872048 /nfs/dbraw/zinc/87/20/48/500872048.db2.gz PBVOWDNBCUJDKK-MRXNPFEDSA-N 1 2 372.425 3.202 20 5 FGBDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444669990 500876158 /nfs/dbraw/zinc/87/61/58/500876158.db2.gz WMDJAFYPJGDRDD-UHFFFAOYSA-N 1 2 364.405 3.275 20 5 FGBDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444669990 500876162 /nfs/dbraw/zinc/87/61/62/500876162.db2.gz WMDJAFYPJGDRDD-UHFFFAOYSA-N 1 2 364.405 3.275 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431599 501001199 /nfs/dbraw/zinc/00/11/99/501001199.db2.gz YNOHGGYZQSZGKL-ICSRJNTNSA-N 1 2 374.412 3.294 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449431599 501001202 /nfs/dbraw/zinc/00/12/02/501001202.db2.gz YNOHGGYZQSZGKL-ICSRJNTNSA-N 1 2 374.412 3.294 20 5 FGBDLO CCc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445817999 501036860 /nfs/dbraw/zinc/03/68/60/501036860.db2.gz IMEHTSNUVJWKEW-GDBMZVCRSA-N 1 2 358.398 3.133 20 5 FGBDLO CCc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445817999 501036863 /nfs/dbraw/zinc/03/68/63/501036863.db2.gz IMEHTSNUVJWKEW-GDBMZVCRSA-N 1 2 358.398 3.133 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1N1CCC(CCCn3cc[nH+]c3)CC1)CCN2 ZINC000436355085 501113377 /nfs/dbraw/zinc/11/33/77/501113377.db2.gz XJITZIGTPZSQNZ-UHFFFAOYSA-N 1 2 355.442 3.456 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413070 501115390 /nfs/dbraw/zinc/11/53/90/501115390.db2.gz RTXDPDCGPZEKLC-RDJZCZTQSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccc(Cl)cc2)C1 ZINC000450413070 501115392 /nfs/dbraw/zinc/11/53/92/501115392.db2.gz RTXDPDCGPZEKLC-RDJZCZTQSA-N 1 2 362.817 3.127 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735150 501159089 /nfs/dbraw/zinc/15/90/89/501159089.db2.gz NJQYDFPFAUSVMM-CUYVQJCZSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735150 501159093 /nfs/dbraw/zinc/15/90/93/501159093.db2.gz NJQYDFPFAUSVMM-CUYVQJCZSA-N 1 2 359.470 3.282 20 5 FGBDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738926 501159252 /nfs/dbraw/zinc/15/92/52/501159252.db2.gz OBNSRDLPIRXVOV-OAQYLSRUSA-N 1 2 367.449 3.466 20 5 FGBDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738926 501159257 /nfs/dbraw/zinc/15/92/57/501159257.db2.gz OBNSRDLPIRXVOV-OAQYLSRUSA-N 1 2 367.449 3.466 20 5 FGBDLO COc1cc2c(c(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)c1)O[C@@H](C)C2 ZINC000446847361 501173275 /nfs/dbraw/zinc/17/32/75/501173275.db2.gz LSISNQSAGKBUFP-NSHDSACASA-N 1 2 368.393 3.093 20 5 FGBDLO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450774239 501205923 /nfs/dbraw/zinc/20/59/23/501205923.db2.gz NVWZWICFSWBNHJ-MAUKXSAKSA-N 1 2 372.425 3.104 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450828069 501214862 /nfs/dbraw/zinc/21/48/62/501214862.db2.gz JKWLSPREDAUDSS-ZDUSSCGKSA-N 1 2 352.398 3.172 20 5 FGBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2[nH+]ccn21 ZINC000450832214 501215180 /nfs/dbraw/zinc/21/51/80/501215180.db2.gz RDDPKPDPJMQWOV-ZFWWWQNUSA-N 1 2 365.393 3.305 20 5 FGBDLO Cc1c(Br)c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450830500 501215411 /nfs/dbraw/zinc/21/54/11/501215411.db2.gz OBUYIEWXGYQJPH-VXNVDRBHSA-N 1 2 352.192 3.375 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450835923 501216100 /nfs/dbraw/zinc/21/61/00/501216100.db2.gz XXWHMISNYURMAS-AWEZNQCLSA-N 1 2 367.409 3.380 20 5 FGBDLO COCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC1 ZINC000450920281 501230062 /nfs/dbraw/zinc/23/00/62/501230062.db2.gz VLDAPJMZZAFMTQ-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901901 501396294 /nfs/dbraw/zinc/39/62/94/501396294.db2.gz NPLBDRXEIUUKDA-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901901 501396295 /nfs/dbraw/zinc/39/62/95/501396295.db2.gz NPLBDRXEIUUKDA-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000456324704 501498251 /nfs/dbraw/zinc/49/82/51/501498251.db2.gz AYZZMGMOBYBNDH-VIFPVBQESA-N 1 2 356.304 3.321 20 5 FGBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2nccn21 ZINC000602682540 506259845 /nfs/dbraw/zinc/25/98/45/506259845.db2.gz LZHRVXHQRKBDCI-XCBNKYQSSA-N 1 2 357.233 3.411 20 5 FGBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452848664 501573302 /nfs/dbraw/zinc/57/33/02/501573302.db2.gz KXQRMNRFPRGBDR-HNNXBMFYSA-N 1 2 350.378 3.262 20 5 FGBDLO CC1(CC(F)(F)F)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457088971 501648479 /nfs/dbraw/zinc/64/84/79/501648479.db2.gz CIWFVELEMZJNLI-UHFFFAOYSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459638296 501691463 /nfs/dbraw/zinc/69/14/63/501691463.db2.gz UEUJCJRYGOBGOJ-LLVKDONJSA-N 1 2 360.439 3.138 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459642142 501691955 /nfs/dbraw/zinc/69/19/55/501691955.db2.gz YXGBNCBSFNDXCF-NSHDSACASA-N 1 2 360.439 3.138 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000459646559 501692277 /nfs/dbraw/zinc/69/22/77/501692277.db2.gz AOUIVNCLJPTPFB-KBPBESRZSA-N 1 2 354.353 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000459646559 501692278 /nfs/dbraw/zinc/69/22/78/501692278.db2.gz AOUIVNCLJPTPFB-KBPBESRZSA-N 1 2 354.353 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459646564 501692285 /nfs/dbraw/zinc/69/22/85/501692285.db2.gz AOUIVNCLJPTPFB-UONOGXRCSA-N 1 2 354.353 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459646564 501692286 /nfs/dbraw/zinc/69/22/86/501692286.db2.gz AOUIVNCLJPTPFB-UONOGXRCSA-N 1 2 354.353 3.197 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000460332472 501794448 /nfs/dbraw/zinc/79/44/48/501794448.db2.gz ZXPGCNGVNYTNQI-INIZCTEOSA-N 1 2 366.421 3.436 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000481712674 501860209 /nfs/dbraw/zinc/86/02/09/501860209.db2.gz OXHWSXJMVHNLOI-HXUWFJFHSA-N 1 2 367.405 3.055 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000481712674 501860213 /nfs/dbraw/zinc/86/02/13/501860213.db2.gz OXHWSXJMVHNLOI-HXUWFJFHSA-N 1 2 367.405 3.055 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(c2nnc3n2CCC3)CC1 ZINC000599023528 506283495 /nfs/dbraw/zinc/28/34/95/506283495.db2.gz IMOKOJJUOIWMGH-UHFFFAOYSA-N 1 2 364.409 3.065 20 5 FGBDLO CC[N@H+](CC(N)=O)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000475371861 502151668 /nfs/dbraw/zinc/15/16/68/502151668.db2.gz PHWLULGPQFXWKA-UHFFFAOYSA-N 1 2 359.451 3.362 20 5 FGBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000475371861 502151676 /nfs/dbraw/zinc/15/16/76/502151676.db2.gz PHWLULGPQFXWKA-UHFFFAOYSA-N 1 2 359.451 3.362 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccccc1F ZINC000472038972 502207859 /nfs/dbraw/zinc/20/78/59/502207859.db2.gz UCZMICMEHQRUFY-UHFFFAOYSA-N 1 2 359.401 3.221 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000469444631 502420505 /nfs/dbraw/zinc/42/05/05/502420505.db2.gz ONBMUPPNHHFSPK-SFHVURJKSA-N 1 2 357.410 3.113 20 5 FGBDLO CCC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000479944510 502427035 /nfs/dbraw/zinc/42/70/35/502427035.db2.gz YGZWELCUHOFRDW-UHFFFAOYSA-N 1 2 356.382 3.163 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005310 502443565 /nfs/dbraw/zinc/44/35/65/502443565.db2.gz XWFWDVDTRJECJI-STQMWFEESA-N 1 2 371.441 3.039 20 5 FGBDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000483635684 502449051 /nfs/dbraw/zinc/44/90/51/502449051.db2.gz KTUNSZDFFBHHHG-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO CC(C)(C[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1)C(N)=O ZINC000599083843 506316528 /nfs/dbraw/zinc/31/65/28/506316528.db2.gz QGTCIDVLWIORPU-CYBMUJFWSA-N 1 2 356.426 3.261 20 5 FGBDLO Cn1c2ccc(Cl)cc2[nH+]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487874238 502553681 /nfs/dbraw/zinc/55/36/81/502553681.db2.gz LESSPDLBTGDQED-UHFFFAOYSA-N 1 2 368.780 3.498 20 5 FGBDLO Cc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480394203 502556755 /nfs/dbraw/zinc/55/67/55/502556755.db2.gz NRCFNTFPWHADBV-DYVFJYSZSA-N 1 2 354.410 3.364 20 5 FGBDLO CCc1cc(NCCc2cccc(C)[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480515047 502588655 /nfs/dbraw/zinc/58/86/55/502588655.db2.gz NVXHAXUMTVUMJY-UHFFFAOYSA-N 1 2 363.421 3.394 20 5 FGBDLO Cn1cc([C@@H]2C[C@@H](Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCO2)cn1 ZINC000599106814 506324831 /nfs/dbraw/zinc/32/48/31/506324831.db2.gz HKQVTLCUKNYTQD-YOEHRIQHSA-N 1 2 353.382 3.209 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000480689166 502644228 /nfs/dbraw/zinc/64/42/28/502644228.db2.gz MAORLIBTIJAYAC-PHIMTYICSA-N 1 2 363.805 3.395 20 5 FGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000470148924 502679170 /nfs/dbraw/zinc/67/91/70/502679170.db2.gz NRFUFSFIYKBXBN-UHFFFAOYSA-N 1 2 364.402 3.145 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000470170556 502692557 /nfs/dbraw/zinc/69/25/57/502692557.db2.gz WYUYIBNSCZAKRS-RVDMUPIBSA-N 1 2 370.453 3.421 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000470170556 502692561 /nfs/dbraw/zinc/69/25/61/502692561.db2.gz WYUYIBNSCZAKRS-RVDMUPIBSA-N 1 2 370.453 3.421 20 5 FGBDLO CC(C)Oc1ccnc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593001088 506328935 /nfs/dbraw/zinc/32/89/35/506328935.db2.gz XSDILYYDXRZXSA-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO CC(C)Oc1cc[nH+]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593001088 506328944 /nfs/dbraw/zinc/32/89/44/506328944.db2.gz XSDILYYDXRZXSA-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000481240672 502794166 /nfs/dbraw/zinc/79/41/66/502794166.db2.gz SALXPLWFGYTDSH-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000481240672 502794169 /nfs/dbraw/zinc/79/41/69/502794169.db2.gz SALXPLWFGYTDSH-UHFFFAOYSA-N 1 2 364.405 3.218 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C(F)F ZINC000500652249 502832975 /nfs/dbraw/zinc/83/29/75/502832975.db2.gz NKOOOBVNEPBYCP-ZDUSSCGKSA-N 1 2 350.325 3.040 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000593017089 506338130 /nfs/dbraw/zinc/33/81/30/506338130.db2.gz DCKDXVBXMMRYDT-UHFFFAOYSA-N 1 2 363.439 3.480 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505182706 502865558 /nfs/dbraw/zinc/86/55/58/502865558.db2.gz GSVDDJQIMPSSTC-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO Cc1cc(NCCc2ccccc2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489221586 502904439 /nfs/dbraw/zinc/90/44/39/502904439.db2.gz GANPLQAINDSRNU-UHFFFAOYSA-N 1 2 350.378 3.142 20 5 FGBDLO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Oc1cc[nH+]cc1 ZINC000489411066 502950577 /nfs/dbraw/zinc/95/05/77/502950577.db2.gz KUMDKCVSFRTVLQ-UHFFFAOYSA-N 1 2 353.338 3.076 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000588815448 506344783 /nfs/dbraw/zinc/34/47/83/506344783.db2.gz BGIZLACQGPXGSC-UHFFFAOYSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000513661953 502994029 /nfs/dbraw/zinc/99/40/29/502994029.db2.gz RNJXCNFLFPJHOR-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029499 506345850 /nfs/dbraw/zinc/34/58/50/506345850.db2.gz USPVDJMACKSRGP-KRWDZBQOSA-N 1 2 372.425 3.325 20 5 FGBDLO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000510027719 503032636 /nfs/dbraw/zinc/03/26/36/503032636.db2.gz FOYRDUHORLMXDM-UHFFFAOYSA-N 1 2 353.338 3.432 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000489782679 503033742 /nfs/dbraw/zinc/03/37/42/503033742.db2.gz JWEBJBSKJJNBKL-HOCLYGCPSA-N 1 2 372.425 3.058 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513995526 503063289 /nfs/dbraw/zinc/06/32/89/503063289.db2.gz YAGFTXWBNRSNAL-INIZCTEOSA-N 1 2 363.776 3.174 20 5 FGBDLO CN(Cc1c[nH+]c[nH]1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596306965 506350262 /nfs/dbraw/zinc/35/02/62/506350262.db2.gz UUWSWKHCMFNQNO-UHFFFAOYSA-N 1 2 351.235 3.003 20 5 FGBDLO CN(Cc1c[nH]c[nH+]1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596306965 506350268 /nfs/dbraw/zinc/35/02/68/506350268.db2.gz UUWSWKHCMFNQNO-UHFFFAOYSA-N 1 2 351.235 3.003 20 5 FGBDLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506262741 503081311 /nfs/dbraw/zinc/08/13/11/503081311.db2.gz QHCDWNABJAMCCN-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506262741 503081313 /nfs/dbraw/zinc/08/13/13/503081313.db2.gz QHCDWNABJAMCCN-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc2n(n1)CCC2)[C@H]1CC[C@H](O)CC1 ZINC000593034520 506351332 /nfs/dbraw/zinc/35/13/32/506351332.db2.gz IUQFIWSEVWLGCZ-UAPYVXQJSA-N 1 2 370.453 3.043 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc2n(n1)CCC2)[C@H]1CC[C@H](O)CC1 ZINC000593034520 506351338 /nfs/dbraw/zinc/35/13/38/506351338.db2.gz IUQFIWSEVWLGCZ-UAPYVXQJSA-N 1 2 370.453 3.043 20 5 FGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000501950657 503115024 /nfs/dbraw/zinc/11/50/24/503115024.db2.gz UHWNNYQCZLULGR-UHFFFAOYSA-N 1 2 358.379 3.184 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000510539708 503137965 /nfs/dbraw/zinc/13/79/65/503137965.db2.gz SDYXVJBJPKCSII-UHFFFAOYSA-N 1 2 356.426 3.019 20 5 FGBDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593045248 506356010 /nfs/dbraw/zinc/35/60/10/506356010.db2.gz HGXKQNFHEJOKFY-LJQANCHMSA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593045248 506356018 /nfs/dbraw/zinc/35/60/18/506356018.db2.gz HGXKQNFHEJOKFY-LJQANCHMSA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@]1(c2cccc(F)c2)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593045247 506356852 /nfs/dbraw/zinc/35/68/52/506356852.db2.gz HGXKQNFHEJOKFY-IBGZPJMESA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593045247 506356858 /nfs/dbraw/zinc/35/68/58/506356858.db2.gz HGXKQNFHEJOKFY-IBGZPJMESA-N 1 2 357.385 3.336 20 5 FGBDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059099 503244166 /nfs/dbraw/zinc/24/41/66/503244166.db2.gz KCMZISTYWPUZGL-CQSZACIVSA-N 1 2 358.446 3.322 20 5 FGBDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059099 503244169 /nfs/dbraw/zinc/24/41/69/503244169.db2.gz KCMZISTYWPUZGL-CQSZACIVSA-N 1 2 358.446 3.322 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055822 506364560 /nfs/dbraw/zinc/36/45/60/506364560.db2.gz RHVWMZPQWDLEGN-TZMCWYRMSA-N 1 2 369.849 3.465 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055822 506364562 /nfs/dbraw/zinc/36/45/62/506364562.db2.gz RHVWMZPQWDLEGN-TZMCWYRMSA-N 1 2 369.849 3.465 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)ccc1F ZINC000515405300 503331954 /nfs/dbraw/zinc/33/19/54/503331954.db2.gz UTAKYBDCDIFREZ-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836453 503332560 /nfs/dbraw/zinc/33/25/60/503332560.db2.gz CHXBXBTXPLWSTI-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836453 503332563 /nfs/dbraw/zinc/33/25/63/503332563.db2.gz CHXBXBTXPLWSTI-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062649 506368832 /nfs/dbraw/zinc/36/88/32/506368832.db2.gz QJSPDPGVZAFGNT-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062649 506368838 /nfs/dbraw/zinc/36/88/38/506368838.db2.gz QJSPDPGVZAFGNT-DGCLKSJQSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062648 506368974 /nfs/dbraw/zinc/36/89/74/506368974.db2.gz QJSPDPGVZAFGNT-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062648 506368984 /nfs/dbraw/zinc/36/89/84/506368984.db2.gz QJSPDPGVZAFGNT-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO CCO[C@@H](C)c1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602965719 506369228 /nfs/dbraw/zinc/36/92/28/506369228.db2.gz MNYMKJBZTLVTIH-YVEFUNNKSA-N 1 2 365.455 3.146 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000511889995 503409057 /nfs/dbraw/zinc/40/90/57/503409057.db2.gz KQSZPRRIFVPVLJ-AWEZNQCLSA-N 1 2 368.437 3.463 20 5 FGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000512268353 503503507 /nfs/dbraw/zinc/50/35/07/503503507.db2.gz IIEVDFBUVLPKQZ-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO Cc1ccc2c(c1)C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000512268353 503503510 /nfs/dbraw/zinc/50/35/10/503503510.db2.gz IIEVDFBUVLPKQZ-UHFFFAOYSA-N 1 2 366.377 3.348 20 5 FGBDLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000516771856 503583802 /nfs/dbraw/zinc/58/38/02/503583802.db2.gz BPNQKNHIODIXPW-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611983828 506382138 /nfs/dbraw/zinc/38/21/38/506382138.db2.gz PGHNELYLIQJFJF-CYBMUJFWSA-N 1 2 356.378 3.149 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611983828 506382144 /nfs/dbraw/zinc/38/21/44/506382144.db2.gz PGHNELYLIQJFJF-CYBMUJFWSA-N 1 2 356.378 3.149 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)C2 ZINC000527251334 503739708 /nfs/dbraw/zinc/73/97/08/503739708.db2.gz HQEQRVNCCWXHMQ-CYBMUJFWSA-N 1 2 368.437 3.131 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)CC2 ZINC000527251334 503739714 /nfs/dbraw/zinc/73/97/14/503739714.db2.gz HQEQRVNCCWXHMQ-CYBMUJFWSA-N 1 2 368.437 3.131 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024431 503976916 /nfs/dbraw/zinc/97/69/16/503976916.db2.gz RYBNYWBNYTZMNV-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C)cn1 ZINC000538277977 504186240 /nfs/dbraw/zinc/18/62/40/504186240.db2.gz WOYMMHFLZIVHML-MRXNPFEDSA-N 1 2 370.413 3.255 20 5 FGBDLO CC(C)OC(=O)c1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541620580 504203150 /nfs/dbraw/zinc/20/31/50/504203150.db2.gz LTXWMHAFWKNQGY-UHFFFAOYSA-N 1 2 355.394 3.113 20 5 FGBDLO CC(C)OC(=O)c1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541620580 504203155 /nfs/dbraw/zinc/20/31/55/504203155.db2.gz LTXWMHAFWKNQGY-UHFFFAOYSA-N 1 2 355.394 3.113 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000519608931 504271704 /nfs/dbraw/zinc/27/17/04/504271704.db2.gz PKNNAKYUJDMDKP-AWEZNQCLSA-N 1 2 371.393 3.010 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000541875289 504286656 /nfs/dbraw/zinc/28/66/56/504286656.db2.gz VUMXWHILZCIIKN-ZDUSSCGKSA-N 1 2 355.398 3.324 20 5 FGBDLO CCc1cnccc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539099424 504471976 /nfs/dbraw/zinc/47/19/76/504471976.db2.gz FFQZLBQZPNNGFZ-CYBMUJFWSA-N 1 2 365.393 3.229 20 5 FGBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nnc2n1CCC2 ZINC000535779825 504542355 /nfs/dbraw/zinc/54/23/55/504542355.db2.gz LUNVNTCVFRTVLZ-UHFFFAOYSA-N 1 2 369.450 3.493 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nnc2n1CCC2 ZINC000535779825 504542358 /nfs/dbraw/zinc/54/23/58/504542358.db2.gz LUNVNTCVFRTVLZ-UHFFFAOYSA-N 1 2 369.450 3.493 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000536625286 504770989 /nfs/dbraw/zinc/77/09/89/504770989.db2.gz BXLAAHQYZCAKSJ-VIFPVBQESA-N 1 2 369.219 3.330 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559142402 504790031 /nfs/dbraw/zinc/79/00/31/504790031.db2.gz FPLCSWVZNUUQSR-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559142402 504790033 /nfs/dbraw/zinc/79/00/33/504790033.db2.gz FPLCSWVZNUUQSR-FQEVSTJZSA-N 1 2 365.433 3.144 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000565331830 504856864 /nfs/dbraw/zinc/85/68/64/504856864.db2.gz LEIQGLGBLCSUFG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000565331830 504856869 /nfs/dbraw/zinc/85/68/69/504856869.db2.gz LEIQGLGBLCSUFG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO COc1ccc(F)cc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556889764 505007486 /nfs/dbraw/zinc/00/74/86/505007486.db2.gz FXIGALYZCJWPFP-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000565922560 505026813 /nfs/dbraw/zinc/02/68/13/505026813.db2.gz JCIXYWRYCNSEMV-UHFFFAOYSA-N 1 2 372.356 3.479 20 5 FGBDLO Cc1cccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000556979559 505036659 /nfs/dbraw/zinc/03/66/59/505036659.db2.gz GETRGOIINDJELL-UHFFFAOYSA-N 1 2 374.485 3.040 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2(C)C)c([N+](=O)[O-])c1 ZINC000557341560 505111279 /nfs/dbraw/zinc/11/12/79/505111279.db2.gz JXFVHELWZBWLAJ-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2(C)C)c([N+](=O)[O-])c1 ZINC000557341560 505111285 /nfs/dbraw/zinc/11/12/85/505111285.db2.gz JXFVHELWZBWLAJ-UHFFFAOYSA-N 1 2 369.421 3.335 20 5 FGBDLO CC(C)CCn1ccc(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000560549645 505122594 /nfs/dbraw/zinc/12/25/94/505122594.db2.gz GKORSZYZDYYOGF-GOSISDBHSA-N 1 2 368.441 3.194 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551095747 505156913 /nfs/dbraw/zinc/15/69/13/505156913.db2.gz PAKDHHQTHYHZFX-UHFFFAOYSA-N 1 2 356.304 3.020 20 5 FGBDLO CCOC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC1 ZINC000555231606 505386272 /nfs/dbraw/zinc/38/62/72/505386272.db2.gz WEVZJGHZYVNMLF-UHFFFAOYSA-N 1 2 363.458 3.188 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000596589577 506475994 /nfs/dbraw/zinc/47/59/94/506475994.db2.gz ABWXILHJSADOQB-GOSISDBHSA-N 1 2 357.410 3.460 20 5 FGBDLO COc1ccc(OCC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000596589577 506475996 /nfs/dbraw/zinc/47/59/96/506475996.db2.gz ABWXILHJSADOQB-GOSISDBHSA-N 1 2 357.410 3.460 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511562 506478476 /nfs/dbraw/zinc/47/84/76/506478476.db2.gz AEFJYHBWVWNZFO-TUAOUCFPSA-N 1 2 371.384 3.154 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511562 506478478 /nfs/dbraw/zinc/47/84/78/506478478.db2.gz AEFJYHBWVWNZFO-TUAOUCFPSA-N 1 2 371.384 3.154 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1(F)F ZINC000599514701 506481914 /nfs/dbraw/zinc/48/19/14/506481914.db2.gz YVHXFQIKDVYTGH-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1(F)F ZINC000599514701 506481916 /nfs/dbraw/zinc/48/19/16/506481916.db2.gz YVHXFQIKDVYTGH-AOOOYVTPSA-N 1 2 361.776 3.410 20 5 FGBDLO Cc1c(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000582913757 506487161 /nfs/dbraw/zinc/48/71/61/506487161.db2.gz SJIYAPBKRFIMCJ-JTQLQIEISA-N 1 2 356.304 3.311 20 5 FGBDLO CCOc1cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599666165 506565993 /nfs/dbraw/zinc/56/59/93/506565993.db2.gz LMJNAYHPEXYYKO-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000599666165 506565996 /nfs/dbraw/zinc/56/59/96/506565996.db2.gz LMJNAYHPEXYYKO-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO COCC[N@H+](Cc1cccs1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495367 506568121 /nfs/dbraw/zinc/56/81/21/506568121.db2.gz RPJVIPSEUNGMLJ-UHFFFAOYSA-N 1 2 364.423 3.092 20 5 FGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495367 506568125 /nfs/dbraw/zinc/56/81/25/506568125.db2.gz RPJVIPSEUNGMLJ-UHFFFAOYSA-N 1 2 364.423 3.092 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000589510729 506573657 /nfs/dbraw/zinc/57/36/57/506573657.db2.gz JEHXXWLJKLNAOD-UHFFFAOYSA-N 1 2 352.390 3.429 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000589510729 506573663 /nfs/dbraw/zinc/57/36/63/506573663.db2.gz JEHXXWLJKLNAOD-UHFFFAOYSA-N 1 2 352.390 3.429 20 5 FGBDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599679227 506573853 /nfs/dbraw/zinc/57/38/53/506573853.db2.gz LKACOPKOHHQIJG-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000599679227 506573858 /nfs/dbraw/zinc/57/38/58/506573858.db2.gz LKACOPKOHHQIJG-AWEZNQCLSA-N 1 2 373.384 3.171 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000589517564 506575437 /nfs/dbraw/zinc/57/54/37/506575437.db2.gz NKSIVBIUUBEXPP-LJQANCHMSA-N 1 2 358.369 3.452 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000589517564 506575444 /nfs/dbraw/zinc/57/54/44/506575444.db2.gz NKSIVBIUUBEXPP-LJQANCHMSA-N 1 2 358.369 3.452 20 5 FGBDLO COc1cc2c(c(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)c1)O[C@@H](C)C2 ZINC000589521575 506577904 /nfs/dbraw/zinc/57/79/04/506577904.db2.gz JWGMTVBESYBEHS-ZDUSSCGKSA-N 1 2 370.405 3.321 20 5 FGBDLO COc1cc2c(c(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)c1)O[C@@H](C)C2 ZINC000589521575 506577907 /nfs/dbraw/zinc/57/79/07/506577907.db2.gz JWGMTVBESYBEHS-ZDUSSCGKSA-N 1 2 370.405 3.321 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603737988 506607082 /nfs/dbraw/zinc/60/70/82/506607082.db2.gz DCXRKVBPEIZENZ-UHFFFAOYSA-N 1 2 364.361 3.429 20 5 FGBDLO COc1ccc2[nH+]c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2c1 ZINC000603838226 506628230 /nfs/dbraw/zinc/62/82/30/506628230.db2.gz LKERXAWZFPNROF-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO Cc1ncc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000600106193 506777897 /nfs/dbraw/zinc/77/78/97/506777897.db2.gz CESBZIZVTZPELD-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000609193564 506808821 /nfs/dbraw/zinc/80/88/21/506808821.db2.gz UNXZGNMFIKUFNB-UHFFFAOYSA-N 1 2 371.437 3.410 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234411 506821852 /nfs/dbraw/zinc/82/18/52/506821852.db2.gz ROPUJUYPSVZATE-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234411 506821863 /nfs/dbraw/zinc/82/18/63/506821863.db2.gz ROPUJUYPSVZATE-HNAYVOBHSA-N 1 2 369.421 3.385 20 5 FGBDLO COc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000593897335 506825524 /nfs/dbraw/zinc/82/55/24/506825524.db2.gz WOFHYEWMYPNXOW-HDJSIYSDSA-N 1 2 370.409 3.152 20 5 FGBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000593896991 506826182 /nfs/dbraw/zinc/82/61/82/506826182.db2.gz BRDBODKJPBCVKF-WKILWMFISA-N 1 2 372.400 3.211 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435436 506831869 /nfs/dbraw/zinc/83/18/69/506831869.db2.gz XDNBRUAIXKLANH-JSGCOSHPSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604435436 506831874 /nfs/dbraw/zinc/83/18/74/506831874.db2.gz XDNBRUAIXKLANH-JSGCOSHPSA-N 1 2 366.364 3.306 20 5 FGBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000609513495 506905211 /nfs/dbraw/zinc/90/52/11/506905211.db2.gz DXHSQGIZENZSDC-UHFFFAOYSA-N 1 2 355.423 3.244 20 5 FGBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000609513495 506905214 /nfs/dbraw/zinc/90/52/14/506905214.db2.gz DXHSQGIZENZSDC-UHFFFAOYSA-N 1 2 355.423 3.244 20 5 FGBDLO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000609677951 506972941 /nfs/dbraw/zinc/97/29/41/506972941.db2.gz PBLMAHXKVQDYAY-HNNXBMFYSA-N 1 2 364.352 3.297 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000609705390 506978493 /nfs/dbraw/zinc/97/84/93/506978493.db2.gz YPAAEVXYLYKRQP-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000609705390 506978501 /nfs/dbraw/zinc/97/85/01/506978501.db2.gz YPAAEVXYLYKRQP-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO Cc1ccc(NCCCNC(=O)Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC000610095830 507098275 /nfs/dbraw/zinc/09/82/75/507098275.db2.gz FEHUVNJGYMMCDK-UHFFFAOYSA-N 1 2 368.397 3.175 20 5 FGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000597863212 507139117 /nfs/dbraw/zinc/13/91/17/507139117.db2.gz LAHNPFRPPMUSFW-OKILXGFUSA-N 1 2 371.441 3.072 20 5 FGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000597863212 507139121 /nfs/dbraw/zinc/13/91/21/507139121.db2.gz LAHNPFRPPMUSFW-OKILXGFUSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000591505217 507274112 /nfs/dbraw/zinc/27/41/12/507274112.db2.gz BYKJZGVTFFWSLP-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO Cn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc21 ZINC000601150094 507279285 /nfs/dbraw/zinc/27/92/85/507279285.db2.gz UQUQEUNTTDGAFS-GOSISDBHSA-N 1 2 374.828 3.132 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613929958 507304113 /nfs/dbraw/zinc/30/41/13/507304113.db2.gz WNPCXKAYTROBDP-UHFFFAOYSA-N 1 2 361.442 3.029 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541985 507402094 /nfs/dbraw/zinc/40/20/94/507402094.db2.gz GQFUCVNHWWVPTR-ICSRJNTNSA-N 1 2 369.396 3.271 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541985 507402098 /nfs/dbraw/zinc/40/20/98/507402098.db2.gz GQFUCVNHWWVPTR-ICSRJNTNSA-N 1 2 369.396 3.271 20 5 FGBDLO Cc1cccc2[nH+]c(CCNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cn21 ZINC000592006619 507448251 /nfs/dbraw/zinc/44/82/51/507448251.db2.gz PSHGBTJSAKDLQL-UHFFFAOYSA-N 1 2 365.393 3.090 20 5 FGBDLO CC(C)c1noc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592131265 507496467 /nfs/dbraw/zinc/49/64/67/507496467.db2.gz VOGBWLBWFSNKSS-WKILWMFISA-N 1 2 374.441 3.407 20 5 FGBDLO CC(C)c1noc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592131265 507496473 /nfs/dbraw/zinc/49/64/73/507496473.db2.gz VOGBWLBWFSNKSS-WKILWMFISA-N 1 2 374.441 3.407 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611201417 507559360 /nfs/dbraw/zinc/55/93/60/507559360.db2.gz OBXQYDFQFZTXOE-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO CC(C)Oc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000614592116 507576913 /nfs/dbraw/zinc/57/69/13/507576913.db2.gz GMBFUJXYEFCXKS-UHFFFAOYSA-N 1 2 367.365 3.215 20 5 FGBDLO C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602076636 507581992 /nfs/dbraw/zinc/58/19/92/507581992.db2.gz ZMCGJPYLYNWSLW-MFKMUULPSA-N 1 2 356.304 3.162 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595618110 507593353 /nfs/dbraw/zinc/59/33/53/507593353.db2.gz LSBFTFSSCVFQPQ-QGZVFWFLSA-N 1 2 372.368 3.206 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595618110 507593357 /nfs/dbraw/zinc/59/33/57/507593357.db2.gz LSBFTFSSCVFQPQ-QGZVFWFLSA-N 1 2 372.368 3.206 20 5 FGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1nnc2n1CCCCC2 ZINC000595799251 507693011 /nfs/dbraw/zinc/69/30/11/507693011.db2.gz KGQMOPOXPBMKHJ-AWEZNQCLSA-N 1 2 359.430 3.162 20 5 FGBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000305167236 713792667 /nfs/dbraw/zinc/79/26/67/713792667.db2.gz ULJUNSHNYFXLPF-UHFFFAOYSA-N 1 2 359.813 3.206 20 5 FGBDLO Cc1ccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804432010 724516576 /nfs/dbraw/zinc/51/65/76/724516576.db2.gz NBSCMRXWRZVPSS-VXGBXAGGSA-N 1 2 372.263 3.187 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783559042 724765311 /nfs/dbraw/zinc/76/53/11/724765311.db2.gz MTTXEYBXSRIRGI-CQSZACIVSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783559042 724765316 /nfs/dbraw/zinc/76/53/16/724765316.db2.gz MTTXEYBXSRIRGI-CQSZACIVSA-N 1 2 351.834 3.225 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000728834188 722454745 /nfs/dbraw/zinc/45/47/45/722454745.db2.gz RQCNQZSAVLWZQI-UHFFFAOYSA-N 1 2 357.435 3.409 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000728834188 722454746 /nfs/dbraw/zinc/45/47/46/722454746.db2.gz RQCNQZSAVLWZQI-UHFFFAOYSA-N 1 2 357.435 3.409 20 5 FGBDLO O=C(CCCn1cc[nH+]c1)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739578995 722533390 /nfs/dbraw/zinc/53/33/90/722533390.db2.gz SQQOVSARIBYEFN-UHFFFAOYSA-N 1 2 368.187 3.077 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH+]c12 ZINC000746540660 722607427 /nfs/dbraw/zinc/60/74/27/722607427.db2.gz VUIXNAYLSJODPE-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO Cc1ccccc1C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000746709240 722615542 /nfs/dbraw/zinc/61/55/42/722615542.db2.gz LWECFEREWQMYND-UHFFFAOYSA-N 1 2 365.231 3.484 20 5 FGBDLO Cc1ccccc1C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000746709240 722615543 /nfs/dbraw/zinc/61/55/43/722615543.db2.gz LWECFEREWQMYND-UHFFFAOYSA-N 1 2 365.231 3.484 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000747812689 722661737 /nfs/dbraw/zinc/66/17/37/722661737.db2.gz HLCJPGLCBCNYOY-UHFFFAOYSA-N 1 2 362.455 3.383 20 5 FGBDLO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000754377497 722936374 /nfs/dbraw/zinc/93/63/74/722936374.db2.gz YCWWVXAAGZYWFA-SNVBAGLBSA-N 1 2 354.819 3.384 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000790626390 723160585 /nfs/dbraw/zinc/16/05/85/723160585.db2.gz HYEFDHRQLBTHEV-CYBMUJFWSA-N 1 2 352.272 3.092 20 5 FGBDLO CN(C)c1cc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000790746759 723173114 /nfs/dbraw/zinc/17/31/14/723173114.db2.gz VKEVLVBZXKNIOC-UHFFFAOYSA-N 1 2 367.764 3.134 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796163742 723624292 /nfs/dbraw/zinc/62/42/92/723624292.db2.gz QHZQXIYOAGXKHF-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796163742 723624293 /nfs/dbraw/zinc/62/42/93/723624293.db2.gz QHZQXIYOAGXKHF-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796164193 723624459 /nfs/dbraw/zinc/62/44/59/723624459.db2.gz KDADYFCKFZXFKH-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796164193 723624462 /nfs/dbraw/zinc/62/44/62/723624462.db2.gz KDADYFCKFZXFKH-AWEZNQCLSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796164325 723624478 /nfs/dbraw/zinc/62/44/78/723624478.db2.gz VYSWNIVVCLEODW-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796164325 723624480 /nfs/dbraw/zinc/62/44/80/723624480.db2.gz VYSWNIVVCLEODW-CQSZACIVSA-N 1 2 355.822 3.349 20 5 FGBDLO COC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000768931044 723672431 /nfs/dbraw/zinc/67/24/31/723672431.db2.gz BNNNVNDSWOHBKO-UHFFFAOYSA-N 1 2 361.423 3.207 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528901 723831689 /nfs/dbraw/zinc/83/16/89/723831689.db2.gz ZHYBLAGKISEVJD-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528901 723831693 /nfs/dbraw/zinc/83/16/93/723831693.db2.gz ZHYBLAGKISEVJD-PBFPGSCMSA-N 1 2 354.834 3.407 20 5 FGBDLO O=C(C[N@@H+]1CCOCC2(CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775850891 724072158 /nfs/dbraw/zinc/07/21/58/724072158.db2.gz YVCIQNFVCILMBR-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCOCC2(CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775850891 724072161 /nfs/dbraw/zinc/07/21/61/724072161.db2.gz YVCIQNFVCILMBR-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(F)(F)F ZINC000801541313 724311823 /nfs/dbraw/zinc/31/18/23/724311823.db2.gz CVJOBFJGOMUSLO-CQSZACIVSA-N 1 2 350.312 3.259 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000809697535 725260087 /nfs/dbraw/zinc/26/00/87/725260087.db2.gz IPCUBROMLVQWDO-WDEREUQCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000809697535 725260089 /nfs/dbraw/zinc/26/00/89/725260089.db2.gz IPCUBROMLVQWDO-WDEREUQCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000810040677 725284223 /nfs/dbraw/zinc/28/42/23/725284223.db2.gz VBBFLFVDWSAZQS-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000810040677 725284225 /nfs/dbraw/zinc/28/42/25/725284225.db2.gz VBBFLFVDWSAZQS-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO Cc1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)sc1C ZINC000813172126 726845951 /nfs/dbraw/zinc/84/59/51/726845951.db2.gz GCKIZJGDJRXKDN-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO Cc1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)sc1C ZINC000813172126 726845955 /nfs/dbraw/zinc/84/59/55/726845955.db2.gz GCKIZJGDJRXKDN-HNNXBMFYSA-N 1 2 361.423 3.099 20 5 FGBDLO Cn1c(=O)oc2cc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000816482697 727166705 /nfs/dbraw/zinc/16/67/05/727166705.db2.gz PIKDGZKCUDQSDU-UHFFFAOYSA-N 1 2 361.785 3.325 20 5 FGBDLO Cn1c(=O)oc2cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000816482697 727166707 /nfs/dbraw/zinc/16/67/07/727166707.db2.gz PIKDGZKCUDQSDU-UHFFFAOYSA-N 1 2 361.785 3.325 20 5 FGBDLO Cc1cc(C)c(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000829463682 729482630 /nfs/dbraw/zinc/48/26/30/729482630.db2.gz NZHLLZKEVXYPAJ-UHFFFAOYSA-N 1 2 371.365 3.215 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000836474682 729956962 /nfs/dbraw/zinc/95/69/62/729956962.db2.gz FDCQORQAVYQPQG-UHFFFAOYSA-N 1 2 359.813 3.302 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839612625 730136205 /nfs/dbraw/zinc/13/62/05/730136205.db2.gz BWBACMUPLFGAPB-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839612625 730136206 /nfs/dbraw/zinc/13/62/06/730136206.db2.gz BWBACMUPLFGAPB-CQSZACIVSA-N 1 2 355.847 3.014 20 5 FGBDLO C[C@]1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]1(F)Cl ZINC000844803597 730769460 /nfs/dbraw/zinc/76/94/60/730769460.db2.gz RVWAQGKVPPGUKA-JKSUJKDBSA-N 1 2 366.780 3.215 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852047329 731537759 /nfs/dbraw/zinc/53/77/59/731537759.db2.gz ZTPRYXXYBALHOT-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852047329 731537762 /nfs/dbraw/zinc/53/77/62/731537762.db2.gz ZTPRYXXYBALHOT-HNNXBMFYSA-N 1 2 353.394 3.223 20 5 FGBDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2N1 ZINC000852495744 731593060 /nfs/dbraw/zinc/59/30/60/731593060.db2.gz NEPHFVXOLUWVGY-TVQRCGJNSA-N 1 2 358.225 3.002 20 5 FGBDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2N1 ZINC000852495744 731593061 /nfs/dbraw/zinc/59/30/61/731593061.db2.gz NEPHFVXOLUWVGY-TVQRCGJNSA-N 1 2 358.225 3.002 20 5 FGBDLO COc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853412559 731701345 /nfs/dbraw/zinc/70/13/45/731701345.db2.gz BCCGAIXEHIUWAG-UHFFFAOYSA-N 1 2 363.792 3.423 20 5 FGBDLO COc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853412559 731701348 /nfs/dbraw/zinc/70/13/48/731701348.db2.gz BCCGAIXEHIUWAG-UHFFFAOYSA-N 1 2 363.792 3.423 20 5 FGBDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000859411828 732325250 /nfs/dbraw/zinc/32/52/50/732325250.db2.gz NQRQIKJGWPLTQI-NXEZZACHSA-N 1 2 361.776 3.410 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2nccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880317767 737153510 /nfs/dbraw/zinc/15/35/10/737153510.db2.gz RZJQXWLJCQUJMP-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2nccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880317767 737153513 /nfs/dbraw/zinc/15/35/13/737153513.db2.gz RZJQXWLJCQUJMP-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000888796415 739578153 /nfs/dbraw/zinc/57/81/53/739578153.db2.gz JZDLNZUTGNRNIO-ZDUSSCGKSA-N 1 2 360.439 3.185 20 5 FGBDLO COc1c(O)ccc(C[NH2+]Cc2c(F)cccc2SC)c1[N+](=O)[O-] ZINC000894389918 742277478 /nfs/dbraw/zinc/27/74/78/742277478.db2.gz WDSKNCYEKYLPSZ-UHFFFAOYSA-N 1 2 352.387 3.460 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)nc2c1 ZINC000931910916 761001788 /nfs/dbraw/zinc/00/17/88/761001788.db2.gz GVWZFUZSYQAYIV-ZDUSSCGKSA-N 1 2 358.295 3.338 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)nc2c1 ZINC000931910916 761001798 /nfs/dbraw/zinc/00/17/98/761001798.db2.gz GVWZFUZSYQAYIV-ZDUSSCGKSA-N 1 2 358.295 3.338 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000932825303 761255657 /nfs/dbraw/zinc/25/56/57/761255657.db2.gz MUDUJWQALJIFCK-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000007669718 257332662 /nfs/dbraw/zinc/33/26/62/257332662.db2.gz HXRHBOOCKZQNQL-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000007669718 257332664 /nfs/dbraw/zinc/33/26/64/257332664.db2.gz HXRHBOOCKZQNQL-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO O=C(NCc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068745778 493866868 /nfs/dbraw/zinc/86/68/68/493866868.db2.gz CYIONVGFDHEVDU-UHFFFAOYSA-N 1 2 373.372 3.259 20 5 FGBDLO O=C(c1cccc(Cl)c1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000059402483 493906158 /nfs/dbraw/zinc/90/61/58/493906158.db2.gz MHTXCKOFJSXRCW-UHFFFAOYSA-N 1 2 373.840 3.249 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000077326935 494059147 /nfs/dbraw/zinc/05/91/47/494059147.db2.gz UOOFLFWUWONQAB-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000077326935 494059150 /nfs/dbraw/zinc/05/91/50/494059150.db2.gz UOOFLFWUWONQAB-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320623 494084210 /nfs/dbraw/zinc/08/42/10/494084210.db2.gz VMJHFQLKVYHMKF-AWEZNQCLSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320623 494084213 /nfs/dbraw/zinc/08/42/13/494084213.db2.gz VMJHFQLKVYHMKF-AWEZNQCLSA-N 1 2 361.423 3.441 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000053124786 494096672 /nfs/dbraw/zinc/09/66/72/494096672.db2.gz VGWVTXVOJZKPBP-LBPRGKRZSA-N 1 2 361.373 3.374 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000053124786 494096675 /nfs/dbraw/zinc/09/66/75/494096675.db2.gz VGWVTXVOJZKPBP-LBPRGKRZSA-N 1 2 361.373 3.374 20 5 FGBDLO CCc1cc(NCCC(=O)N[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053573733 494149112 /nfs/dbraw/zinc/14/91/12/494149112.db2.gz FDZIJLGPMMDWTG-ZDUSSCGKSA-N 1 2 371.441 3.331 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000086624331 494157182 /nfs/dbraw/zinc/15/71/82/494157182.db2.gz LUDGZOJHUGPGTR-OAHLLOKOSA-N 1 2 354.410 3.462 20 5 FGBDLO CSc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000010737110 494160461 /nfs/dbraw/zinc/16/04/61/494160461.db2.gz DZFQNEVMUIHXOS-UHFFFAOYSA-N 1 2 370.434 3.405 20 5 FGBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccsc1 ZINC000064992245 494164787 /nfs/dbraw/zinc/16/47/87/494164787.db2.gz RELUFGULRFTGEA-UHFFFAOYSA-N 1 2 351.453 3.112 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781786 494165454 /nfs/dbraw/zinc/16/54/54/494165454.db2.gz QGMHENQQRQMKRT-NSHDSACASA-N 1 2 370.434 3.496 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781786 494165458 /nfs/dbraw/zinc/16/54/58/494165458.db2.gz QGMHENQQRQMKRT-NSHDSACASA-N 1 2 370.434 3.496 20 5 FGBDLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000011916073 494196867 /nfs/dbraw/zinc/19/68/67/494196867.db2.gz DROCWEUPDPVYMS-UHFFFAOYSA-N 1 2 353.281 3.161 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(F)c1 ZINC000042096728 494200550 /nfs/dbraw/zinc/20/05/50/494200550.db2.gz GECNQLSCFMHQKF-HNNXBMFYSA-N 1 2 351.403 3.281 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607967 494253322 /nfs/dbraw/zinc/25/33/22/494253322.db2.gz JSXLDDGBUYDLHI-INIZCTEOSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607967 494253324 /nfs/dbraw/zinc/25/33/24/494253324.db2.gz JSXLDDGBUYDLHI-INIZCTEOSA-N 1 2 367.449 3.308 20 5 FGBDLO Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072905815 494280537 /nfs/dbraw/zinc/28/05/37/494280537.db2.gz ZFARVTMUELOPMS-QGZVFWFLSA-N 1 2 365.393 3.096 20 5 FGBDLO CC[N@H+](CCCNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000043804999 494320579 /nfs/dbraw/zinc/32/05/79/494320579.db2.gz FNEOFNJIGOQLCO-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO CC[N@@H+](CCCNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000043804999 494320582 /nfs/dbraw/zinc/32/05/82/494320582.db2.gz FNEOFNJIGOQLCO-UHFFFAOYSA-N 1 2 357.410 3.006 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@H]3CO)co2)cc1 ZINC000089920664 494401715 /nfs/dbraw/zinc/40/17/15/494401715.db2.gz AKOVDXXOOBUAII-LJQANCHMSA-N 1 2 365.389 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@H]3CO)co2)cc1 ZINC000089920664 494401721 /nfs/dbraw/zinc/40/17/21/494401721.db2.gz AKOVDXXOOBUAII-LJQANCHMSA-N 1 2 365.389 3.342 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000021919795 494511052 /nfs/dbraw/zinc/51/10/52/494511052.db2.gz YVFXUNJQIXLVCK-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000021919795 494511055 /nfs/dbraw/zinc/51/10/55/494511055.db2.gz YVFXUNJQIXLVCK-UHFFFAOYSA-N 1 2 361.373 3.203 20 5 FGBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000079754212 494519994 /nfs/dbraw/zinc/51/99/94/494519994.db2.gz BPGBWNQSTICNIR-UHFFFAOYSA-N 1 2 350.378 3.446 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121186017 494637170 /nfs/dbraw/zinc/63/71/70/494637170.db2.gz FALJHVZHSJLCFI-XJKSGUPXSA-N 1 2 373.434 3.150 20 5 FGBDLO Cn1c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH+]c1C1CC1 ZINC000131808888 494738233 /nfs/dbraw/zinc/73/82/33/494738233.db2.gz FUGZPFBERVWOJP-UHFFFAOYSA-N 1 2 372.406 3.160 20 5 FGBDLO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092965194 494797744 /nfs/dbraw/zinc/79/77/44/494797744.db2.gz ULTBGOVYWDRWBX-UHFFFAOYSA-N 1 2 373.384 3.290 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000075681985 494815152 /nfs/dbraw/zinc/81/51/52/494815152.db2.gz USSGBUDGFLTVNY-KRWDZBQOSA-N 1 2 367.449 3.351 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348703 494820169 /nfs/dbraw/zinc/82/01/69/494820169.db2.gz FHNXYTAPMXCCFN-CYBMUJFWSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348703 494820173 /nfs/dbraw/zinc/82/01/73/494820173.db2.gz FHNXYTAPMXCCFN-CYBMUJFWSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348615 494820703 /nfs/dbraw/zinc/82/07/03/494820703.db2.gz XVGYPGLLHSQIDW-CYBMUJFWSA-N 1 2 361.829 3.385 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348615 494820709 /nfs/dbraw/zinc/82/07/09/494820709.db2.gz XVGYPGLLHSQIDW-CYBMUJFWSA-N 1 2 361.829 3.385 20 5 FGBDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349972 494821457 /nfs/dbraw/zinc/82/14/57/494821457.db2.gz FDQNMPQTYQAMJN-CYBMUJFWSA-N 1 2 370.409 3.012 20 5 FGBDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349972 494821460 /nfs/dbraw/zinc/82/14/60/494821460.db2.gz FDQNMPQTYQAMJN-CYBMUJFWSA-N 1 2 370.409 3.012 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000027052055 494851013 /nfs/dbraw/zinc/85/10/13/494851013.db2.gz OVULVSWYAWANBZ-INIZCTEOSA-N 1 2 373.796 3.012 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000027052055 494851015 /nfs/dbraw/zinc/85/10/15/494851015.db2.gz OVULVSWYAWANBZ-INIZCTEOSA-N 1 2 373.796 3.012 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093341853 494874014 /nfs/dbraw/zinc/87/40/14/494874014.db2.gz PQGKKTPQULRMIG-FQEVSTJZSA-N 1 2 372.421 3.360 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093341853 494874018 /nfs/dbraw/zinc/87/40/18/494874018.db2.gz PQGKKTPQULRMIG-FQEVSTJZSA-N 1 2 372.421 3.360 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093341852 494874176 /nfs/dbraw/zinc/87/41/76/494874176.db2.gz PQGKKTPQULRMIG-HXUWFJFHSA-N 1 2 372.421 3.360 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093341852 494874179 /nfs/dbraw/zinc/87/41/79/494874179.db2.gz PQGKKTPQULRMIG-HXUWFJFHSA-N 1 2 372.421 3.360 20 5 FGBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000093414041 494889083 /nfs/dbraw/zinc/88/90/83/494889083.db2.gz GFZYTJVSJNPDNU-AWEZNQCLSA-N 1 2 356.488 3.363 20 5 FGBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000093414041 494889086 /nfs/dbraw/zinc/88/90/86/494889086.db2.gz GFZYTJVSJNPDNU-AWEZNQCLSA-N 1 2 356.488 3.363 20 5 FGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000093608104 494902923 /nfs/dbraw/zinc/90/29/23/494902923.db2.gz KBFBRCMRANLBQB-KDOFPFPSSA-N 1 2 369.421 3.269 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000117331349 494911385 /nfs/dbraw/zinc/91/13/85/494911385.db2.gz YMDHDQQLUVEXKW-UHFFFAOYSA-N 1 2 352.350 3.013 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110193384 494956703 /nfs/dbraw/zinc/95/67/03/494956703.db2.gz MXCRYWSKEXOWAB-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000133163311 494979109 /nfs/dbraw/zinc/97/91/09/494979109.db2.gz UMKOLWIEZUJVIR-RDJZCZTQSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000133163311 494979111 /nfs/dbraw/zinc/97/91/11/494979111.db2.gz UMKOLWIEZUJVIR-RDJZCZTQSA-N 1 2 361.348 3.048 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133490141 495020179 /nfs/dbraw/zinc/02/01/79/495020179.db2.gz BXRJYXXYHLVJFJ-UHFFFAOYSA-N 1 2 368.368 3.251 20 5 FGBDLO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000111255923 495054822 /nfs/dbraw/zinc/05/48/22/495054822.db2.gz JOQMFDLMTFIRDT-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000111255923 495054826 /nfs/dbraw/zinc/05/48/26/495054826.db2.gz JOQMFDLMTFIRDT-UHFFFAOYSA-N 1 2 364.348 3.438 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000119295559 495135822 /nfs/dbraw/zinc/13/58/22/495135822.db2.gz MUHGJQSMFAJGRR-UHFFFAOYSA-N 1 2 362.455 3.489 20 5 FGBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000577612871 505764485 /nfs/dbraw/zinc/76/44/85/505764485.db2.gz VUEVFXIRBMEJIX-UHFFFAOYSA-N 1 2 358.304 3.240 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123882613 495201174 /nfs/dbraw/zinc/20/11/74/495201174.db2.gz JOPWAQCWNDMUGK-OAHLLOKOSA-N 1 2 371.437 3.431 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123882613 495201178 /nfs/dbraw/zinc/20/11/78/495201178.db2.gz JOPWAQCWNDMUGK-OAHLLOKOSA-N 1 2 371.437 3.431 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000129215783 495211970 /nfs/dbraw/zinc/21/19/70/495211970.db2.gz YTBUJPUOIWTGQN-HNNXBMFYSA-N 1 2 373.478 3.494 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000135221696 495264410 /nfs/dbraw/zinc/26/44/10/495264410.db2.gz UEBXFDLBOJDIDN-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000135221696 495264415 /nfs/dbraw/zinc/26/44/15/495264415.db2.gz UEBXFDLBOJDIDN-UHFFFAOYSA-N 1 2 371.412 3.323 20 5 FGBDLO C[C@H](NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000135233670 495266464 /nfs/dbraw/zinc/26/64/64/495266464.db2.gz NHIVHNANZQTYLK-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000135233670 495266469 /nfs/dbraw/zinc/26/64/69/495266469.db2.gz NHIVHNANZQTYLK-ZDUSSCGKSA-N 1 2 359.451 3.498 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3nnc4ccccn43)cs2)c1 ZINC000113314003 495295723 /nfs/dbraw/zinc/29/57/23/495295723.db2.gz OETHWZNZJCDBEB-UHFFFAOYSA-N 1 2 366.406 3.051 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000120235720 495333318 /nfs/dbraw/zinc/33/33/18/495333318.db2.gz REDMJXULUQKKKJ-UHFFFAOYSA-N 1 2 369.425 3.351 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130544089 495408243 /nfs/dbraw/zinc/40/82/43/495408243.db2.gz IJINBLNSRXKRFQ-INIZCTEOSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130544089 495408248 /nfs/dbraw/zinc/40/82/48/495408248.db2.gz IJINBLNSRXKRFQ-INIZCTEOSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000140255170 495491829 /nfs/dbraw/zinc/49/18/29/495491829.db2.gz WEKHTZMLCLTVPT-INIZCTEOSA-N 1 2 354.410 3.382 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000140255170 495491833 /nfs/dbraw/zinc/49/18/33/495491833.db2.gz WEKHTZMLCLTVPT-INIZCTEOSA-N 1 2 354.410 3.382 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCc3[nH]c4ccccc4[nH+]3)cc2N1 ZINC000170639567 495542382 /nfs/dbraw/zinc/54/23/82/495542382.db2.gz XTSBQWUHNFHVSI-UHFFFAOYSA-N 1 2 351.366 3.010 20 5 FGBDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182680039 495662546 /nfs/dbraw/zinc/66/25/46/495662546.db2.gz BKPSBYVNXQQAPU-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182680039 495662550 /nfs/dbraw/zinc/66/25/50/495662550.db2.gz BKPSBYVNXQQAPU-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150890591 495670588 /nfs/dbraw/zinc/67/05/88/495670588.db2.gz AIODPKHZBKKWFL-ZDUSSCGKSA-N 1 2 353.382 3.035 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000182873674 495736675 /nfs/dbraw/zinc/73/66/75/495736675.db2.gz CDGNHPBIJMTQPZ-GOSISDBHSA-N 1 2 368.437 3.260 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174220018 495869565 /nfs/dbraw/zinc/86/95/65/495869565.db2.gz PZGQDLOSYXSTBT-VXGBXAGGSA-N 1 2 361.373 3.420 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000171445875 495877691 /nfs/dbraw/zinc/87/76/91/495877691.db2.gz OHDYRGXHESJJBC-GFCCVEGCSA-N 1 2 350.378 3.231 20 5 FGBDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247721 495881129 /nfs/dbraw/zinc/88/11/29/495881129.db2.gz AGQHZWIKGJVEDX-GFCCVEGCSA-N 1 2 358.398 3.460 20 5 FGBDLO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174248220 495881395 /nfs/dbraw/zinc/88/13/95/495881395.db2.gz KYKFTOWHMVIAHR-UHFFFAOYSA-N 1 2 369.421 3.385 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180446927 496000108 /nfs/dbraw/zinc/00/01/08/496000108.db2.gz LWUPPOYWJNWVJP-IBGZPJMESA-N 1 2 370.384 3.355 20 5 FGBDLO Cc1csc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)n1 ZINC000174541581 496002056 /nfs/dbraw/zinc/00/20/56/496002056.db2.gz KNGFQBGPGXWOLO-HNNXBMFYSA-N 1 2 361.423 3.467 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccccn3)C3CC3)n2)c1 ZINC000180866906 496178649 /nfs/dbraw/zinc/17/86/49/496178649.db2.gz ZGBABQWPOGZCHC-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccccn3)C3CC3)n2)c1 ZINC000180866906 496178654 /nfs/dbraw/zinc/17/86/54/496178654.db2.gz ZGBABQWPOGZCHC-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000175038423 496221274 /nfs/dbraw/zinc/22/12/74/496221274.db2.gz GKJRVISOLAXGPW-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175145168 496265929 /nfs/dbraw/zinc/26/59/29/496265929.db2.gz NVIQASVMOFYZRT-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175145168 496265932 /nfs/dbraw/zinc/26/59/32/496265932.db2.gz NVIQASVMOFYZRT-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184221254 496292386 /nfs/dbraw/zinc/29/23/86/496292386.db2.gz KRIUEKXGMATCID-MNOVXSKESA-N 1 2 364.427 3.046 20 5 FGBDLO COc1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000184236996 496299544 /nfs/dbraw/zinc/29/95/44/496299544.db2.gz QIMOMOLVNNDSBH-CYBMUJFWSA-N 1 2 362.357 3.014 20 5 FGBDLO COc1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000184236996 496299547 /nfs/dbraw/zinc/29/95/47/496299547.db2.gz QIMOMOLVNNDSBH-CYBMUJFWSA-N 1 2 362.357 3.014 20 5 FGBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc[nH+]1 ZINC000162332904 496338473 /nfs/dbraw/zinc/33/84/73/496338473.db2.gz MBKFVRMEEZHTJL-UHFFFAOYSA-N 1 2 361.301 3.118 20 5 FGBDLO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187331578 496396842 /nfs/dbraw/zinc/39/68/42/496396842.db2.gz SAAIRSMZBIBAAR-QAPCUYQASA-N 1 2 372.425 3.104 20 5 FGBDLO CCN(C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153297871 496411991 /nfs/dbraw/zinc/41/19/91/496411991.db2.gz VERKDNZKSARQBS-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO CCN(C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153297871 496411993 /nfs/dbraw/zinc/41/19/93/496411993.db2.gz VERKDNZKSARQBS-OAHLLOKOSA-N 1 2 353.422 3.395 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2sccc2C1 ZINC000153328399 496421852 /nfs/dbraw/zinc/42/18/52/496421852.db2.gz QGKBHZASZRCQON-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2sccc2C1 ZINC000153328399 496421860 /nfs/dbraw/zinc/42/18/60/496421860.db2.gz QGKBHZASZRCQON-UHFFFAOYSA-N 1 2 371.462 3.206 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000181650955 496486975 /nfs/dbraw/zinc/48/69/75/496486975.db2.gz ICGVSZMCAJGPAD-UHFFFAOYSA-N 1 2 362.455 3.454 20 5 FGBDLO Cc1cnc([C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000184770412 496524933 /nfs/dbraw/zinc/52/49/33/496524933.db2.gz NMWQHHHHALEWAJ-LLVKDONJSA-N 1 2 371.422 3.079 20 5 FGBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000185029543 496629012 /nfs/dbraw/zinc/62/90/12/496629012.db2.gz SUNAXAWIOGBGOE-VIFPVBQESA-N 1 2 354.819 3.302 20 5 FGBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000182347505 496730752 /nfs/dbraw/zinc/73/07/52/496730752.db2.gz LQEIIURRYLBTEO-MRXNPFEDSA-N 1 2 368.220 3.392 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)n1 ZINC000191583538 496821450 /nfs/dbraw/zinc/82/14/50/496821450.db2.gz YCERPYXZVYKUNH-UHFFFAOYSA-N 1 2 353.338 3.251 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000277624303 496832884 /nfs/dbraw/zinc/83/28/84/496832884.db2.gz RSGSBGYVKHZOAW-UHFFFAOYSA-N 1 2 373.457 3.095 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc(C(C)C)n1 ZINC000195269976 496870929 /nfs/dbraw/zinc/87/09/29/496870929.db2.gz IPRJFVYREVNVLD-UHFFFAOYSA-N 1 2 366.381 3.255 20 5 FGBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264819945 496991289 /nfs/dbraw/zinc/99/12/89/496991289.db2.gz GADZOFCJCGPJEE-UHFFFAOYSA-N 1 2 364.409 3.398 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(CNc2cccc[nH+]2)c1 ZINC000572083995 505885134 /nfs/dbraw/zinc/88/51/34/505885134.db2.gz XCMAAZFKSVMLQG-UHFFFAOYSA-N 1 2 355.135 3.207 20 5 FGBDLO Cc1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000255439497 497367800 /nfs/dbraw/zinc/36/78/00/497367800.db2.gz ZKZPWVHWFFWAOX-ALCCZGGFSA-N 1 2 356.426 3.031 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000279255265 497383738 /nfs/dbraw/zinc/38/37/38/497383738.db2.gz UIELHGKVYGMWGQ-QGZVFWFLSA-N 1 2 354.410 3.184 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279370405 497419415 /nfs/dbraw/zinc/41/94/15/497419415.db2.gz RULTYBNXJSYYOM-XHBSWPGZSA-N 1 2 358.398 3.205 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279370405 497419419 /nfs/dbraw/zinc/41/94/19/497419419.db2.gz RULTYBNXJSYYOM-XHBSWPGZSA-N 1 2 358.398 3.205 20 5 FGBDLO CCc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000266849217 497432169 /nfs/dbraw/zinc/43/21/69/497432169.db2.gz BTXOLKPHFKKOLI-UHFFFAOYSA-N 1 2 370.331 3.188 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000193699654 497450794 /nfs/dbraw/zinc/45/07/94/497450794.db2.gz MFDNIWKNSWWXJI-LLVKDONJSA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000193699654 497450797 /nfs/dbraw/zinc/45/07/97/497450797.db2.gz MFDNIWKNSWWXJI-LLVKDONJSA-N 1 2 356.304 3.419 20 5 FGBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267034417 497473781 /nfs/dbraw/zinc/47/37/81/497473781.db2.gz WNKFSAJXFSVCDA-UHFFFAOYSA-N 1 2 371.412 3.437 20 5 FGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000245959458 497584723 /nfs/dbraw/zinc/58/47/23/497584723.db2.gz UNPKLOCRQBVZBS-WDEREUQCSA-N 1 2 370.247 3.274 20 5 FGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000245959458 497584725 /nfs/dbraw/zinc/58/47/25/497584725.db2.gz UNPKLOCRQBVZBS-WDEREUQCSA-N 1 2 370.247 3.274 20 5 FGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272552911 497660051 /nfs/dbraw/zinc/66/00/51/497660051.db2.gz RSBBNHDOFJRJMO-MOPGFXCFSA-N 1 2 366.421 3.395 20 5 FGBDLO COCCN(C)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000191233027 497750808 /nfs/dbraw/zinc/75/08/08/497750808.db2.gz HSFKZQDUHNGSCV-UHFFFAOYSA-N 1 2 370.453 3.237 20 5 FGBDLO COCCN(C)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000191233027 497750814 /nfs/dbraw/zinc/75/08/14/497750814.db2.gz HSFKZQDUHNGSCV-UHFFFAOYSA-N 1 2 370.453 3.237 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000268517257 497770720 /nfs/dbraw/zinc/77/07/20/497770720.db2.gz YQYFYZSRHYNANH-UHFFFAOYSA-N 1 2 357.395 3.386 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000268517257 497770722 /nfs/dbraw/zinc/77/07/22/497770722.db2.gz YQYFYZSRHYNANH-UHFFFAOYSA-N 1 2 357.395 3.386 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCCO)CC1 ZINC000272957336 497771438 /nfs/dbraw/zinc/77/14/38/497771438.db2.gz NGLCPIPNIIFQMY-LBPRGKRZSA-N 1 2 369.849 3.060 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)nc2c1 ZINC000288580647 497836895 /nfs/dbraw/zinc/83/68/95/497836895.db2.gz CCUMGWDBQXGTHS-UHFFFAOYSA-N 1 2 353.334 3.109 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)nc2c1 ZINC000288580647 497836903 /nfs/dbraw/zinc/83/69/03/497836903.db2.gz CCUMGWDBQXGTHS-UHFFFAOYSA-N 1 2 353.334 3.109 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cc([N+](=O)[O-])c1 ZINC000284647753 497853784 /nfs/dbraw/zinc/85/37/84/497853784.db2.gz PFVVRYZLMGVEDE-SFHVURJKSA-N 1 2 368.437 3.493 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295929413 497858060 /nfs/dbraw/zinc/85/80/60/497858060.db2.gz PHPOKEJHTRZRNQ-QGZVFWFLSA-N 1 2 371.441 3.130 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000572322109 505940920 /nfs/dbraw/zinc/94/09/20/505940920.db2.gz NRPCTILXNIYIHK-HNNXBMFYSA-N 1 2 357.414 3.220 20 5 FGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280774595 497892691 /nfs/dbraw/zinc/89/26/91/497892691.db2.gz HOYQKLXJNICBPY-KDOFPFPSSA-N 1 2 362.451 3.167 20 5 FGBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000301093263 497947469 /nfs/dbraw/zinc/94/74/69/497947469.db2.gz LMSOUTXKSMDJEI-OAHLLOKOSA-N 1 2 372.263 3.126 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281184440 498047589 /nfs/dbraw/zinc/04/75/89/498047589.db2.gz RQKHKGWLSVXFEA-KRWDZBQOSA-N 1 2 372.425 3.405 20 5 FGBDLO Cc1cc(NCC[S@](=O)C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301324307 498056497 /nfs/dbraw/zinc/05/64/97/498056497.db2.gz XIWJUPBLPRAYGQ-VWLOTQADSA-N 1 2 362.455 3.319 20 5 FGBDLO COc1ccc([C@H](CNc2ccc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301461237 498120054 /nfs/dbraw/zinc/12/00/54/498120054.db2.gz ZJHJFIWGYCOJHL-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)c4ccccc4C3)n2)cc1 ZINC000364742740 498124567 /nfs/dbraw/zinc/12/45/67/498124567.db2.gz UIGOJPYCEBQTSQ-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](O)c4ccccc4C3)n2)cc1 ZINC000364742740 498124570 /nfs/dbraw/zinc/12/45/70/498124570.db2.gz UIGOJPYCEBQTSQ-KRWDZBQOSA-N 1 2 366.377 3.084 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000281435010 498149311 /nfs/dbraw/zinc/14/93/11/498149311.db2.gz PNHWDNIOLQQAFH-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000281435010 498149317 /nfs/dbraw/zinc/14/93/17/498149317.db2.gz PNHWDNIOLQQAFH-INIZCTEOSA-N 1 2 368.397 3.106 20 5 FGBDLO CC(C)OCCCc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351080801 498175288 /nfs/dbraw/zinc/17/52/88/498175288.db2.gz ILZVVILWOZPYPI-UHFFFAOYSA-N 1 2 357.370 3.188 20 5 FGBDLO COc1cccc([C@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2[nH+]ccn2C)c1 ZINC000301615966 498189512 /nfs/dbraw/zinc/18/95/12/498189512.db2.gz BSQMHFPCKGPHQZ-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO CCc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301680691 498221618 /nfs/dbraw/zinc/22/16/18/498221618.db2.gz UYDNGVQGCQWFPZ-HZPDHXFCSA-N 1 2 369.425 3.070 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000572577747 506002454 /nfs/dbraw/zinc/00/24/54/506002454.db2.gz TVNXPSHWDOYPOT-ZDUSSCGKSA-N 1 2 352.740 3.383 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000365194589 498345342 /nfs/dbraw/zinc/34/53/42/498345342.db2.gz XVWLNTARJLCJSC-UHFFFAOYSA-N 1 2 363.458 3.074 20 5 FGBDLO CCOc1cc(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000365194589 498345346 /nfs/dbraw/zinc/34/53/46/498345346.db2.gz XVWLNTARJLCJSC-UHFFFAOYSA-N 1 2 363.458 3.074 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281998581 498350690 /nfs/dbraw/zinc/35/06/90/498350690.db2.gz QFIUROWMLJNTNR-GFCCVEGCSA-N 1 2 359.386 3.128 20 5 FGBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)[nH+]c12 ZINC000302005859 498365245 /nfs/dbraw/zinc/36/52/45/498365245.db2.gz VDJVOJCUWDCOSU-UHFFFAOYSA-N 1 2 367.365 3.120 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000578831998 506030912 /nfs/dbraw/zinc/03/09/12/506030912.db2.gz KCMVMVUGUPWCQQ-ZCGHOXCVSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000578831998 506030914 /nfs/dbraw/zinc/03/09/14/506030914.db2.gz KCMVMVUGUPWCQQ-ZCGHOXCVSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000365460186 498478780 /nfs/dbraw/zinc/47/87/80/498478780.db2.gz LUXQRMSCANWVNB-UHFFFAOYSA-N 1 2 364.287 3.201 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000302802073 498581317 /nfs/dbraw/zinc/58/13/17/498581317.db2.gz CUNCJIBWVBKNDD-INIZCTEOSA-N 1 2 371.890 3.176 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000294796038 498808176 /nfs/dbraw/zinc/80/81/76/498808176.db2.gz BMNVFORMWKSTRG-MEDUHNTESA-N 1 2 362.817 3.476 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000291521949 498975710 /nfs/dbraw/zinc/97/57/10/498975710.db2.gz YIHKWRUSFAIJNR-UHFFFAOYSA-N 1 2 369.421 3.242 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1(C)C ZINC000295368751 498993318 /nfs/dbraw/zinc/99/33/18/498993318.db2.gz CXSLJIHMEUVOCY-INIZCTEOSA-N 1 2 369.425 3.126 20 5 FGBDLO COCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000291650531 499023330 /nfs/dbraw/zinc/02/33/30/499023330.db2.gz BVARAKWCWATYOU-UHFFFAOYSA-N 1 2 372.425 3.215 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000370057212 499172160 /nfs/dbraw/zinc/17/21/60/499172160.db2.gz VUKLROKDSZKJLU-UHFFFAOYSA-N 1 2 362.817 3.077 20 5 FGBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000370540598 499230103 /nfs/dbraw/zinc/23/01/03/499230103.db2.gz UTMFBVCFOSJBLE-UHFFFAOYSA-N 1 2 363.377 3.442 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)CN(C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000371247804 499302378 /nfs/dbraw/zinc/30/23/78/499302378.db2.gz QQMCUDFMJBTWIT-UHFFFAOYSA-N 1 2 365.393 3.368 20 5 FGBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529555 499338409 /nfs/dbraw/zinc/33/84/09/499338409.db2.gz SQTKIBPBOHJIDB-WBVHZDCISA-N 1 2 374.393 3.007 20 5 FGBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000371529555 499338410 /nfs/dbraw/zinc/33/84/10/499338410.db2.gz SQTKIBPBOHJIDB-WBVHZDCISA-N 1 2 374.393 3.007 20 5 FGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000376556798 499618244 /nfs/dbraw/zinc/61/82/44/499618244.db2.gz OTMYCKOVZFDKDE-JTQLQIEISA-N 1 2 366.780 3.059 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCOC(C)(C)C1 ZINC000377394529 499686481 /nfs/dbraw/zinc/68/64/81/499686481.db2.gz XPHSHWHSVUGGPC-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCOC(C)(C)C1 ZINC000377394529 499686483 /nfs/dbraw/zinc/68/64/83/499686483.db2.gz XPHSHWHSVUGGPC-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@]2(CCOC2)O1 ZINC000573270563 506158570 /nfs/dbraw/zinc/15/85/70/506158570.db2.gz QQQWLLJWLVUBKF-IEBWSBKVSA-N 1 2 364.442 3.152 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@]2(CCOC2)O1 ZINC000573270563 506158573 /nfs/dbraw/zinc/15/85/73/506158573.db2.gz QQQWLLJWLVUBKF-IEBWSBKVSA-N 1 2 364.442 3.152 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000411947855 499805623 /nfs/dbraw/zinc/80/56/23/499805623.db2.gz PVQIBNFOEWJQSN-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000411947855 499805624 /nfs/dbraw/zinc/80/56/24/499805624.db2.gz PVQIBNFOEWJQSN-UHFFFAOYSA-N 1 2 367.405 3.450 20 5 FGBDLO Cn1cc(C[NH2+]Cc2nnc(C3CC3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414558125 499808636 /nfs/dbraw/zinc/80/86/36/499808636.db2.gz RHAXRPLQIAIIPE-UHFFFAOYSA-N 1 2 370.438 3.014 20 5 FGBDLO O=C(C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1)N1CCCCC1 ZINC000413024745 499904655 /nfs/dbraw/zinc/90/46/55/499904655.db2.gz FMQIUJIMPXDCTK-UHFFFAOYSA-N 1 2 368.437 3.372 20 5 FGBDLO O=C(c1ccoc1)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413046549 499906581 /nfs/dbraw/zinc/90/65/81/499906581.db2.gz SHFATWMVJPFKDE-UHFFFAOYSA-N 1 2 366.377 3.453 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCN(CC(F)(F)F)C3)c2c1 ZINC000413085498 499911734 /nfs/dbraw/zinc/91/17/34/499911734.db2.gz WIRDMEUAZXQOCE-NSHDSACASA-N 1 2 354.332 3.439 20 5 FGBDLO CCCCNC(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413099987 499913855 /nfs/dbraw/zinc/91/38/55/499913855.db2.gz GZOMLSFMMNNFCX-HNNXBMFYSA-N 1 2 356.426 3.276 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269936 506172544 /nfs/dbraw/zinc/17/25/44/506172544.db2.gz ADHKJYVPIWJKID-RDJZCZTQSA-N 1 2 350.390 3.276 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269936 506172548 /nfs/dbraw/zinc/17/25/48/506172548.db2.gz ADHKJYVPIWJKID-RDJZCZTQSA-N 1 2 350.390 3.276 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429482167 500085386 /nfs/dbraw/zinc/08/53/86/500085386.db2.gz RZNHTNWUIVGALZ-UHFFFAOYSA-N 1 2 354.366 3.146 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430202341 500208244 /nfs/dbraw/zinc/20/82/44/500208244.db2.gz CDVBSIYGVYCZNR-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000428696009 500544701 /nfs/dbraw/zinc/54/47/01/500544701.db2.gz XQKQZZNRKSPGPS-UHFFFAOYSA-N 1 2 352.341 3.365 20 5 FGBDLO O=C(NCc1c[nH+]c[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442709028 500612498 /nfs/dbraw/zinc/61/24/98/500612498.db2.gz AJBJJGYKQHGIRI-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO O=C(NCc1c[nH]c[nH+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442709028 500612503 /nfs/dbraw/zinc/61/25/03/500612503.db2.gz AJBJJGYKQHGIRI-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO Cc1noc(C)c1[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805427 500666126 /nfs/dbraw/zinc/66/61/26/500666126.db2.gz IJWDVSRKMXYWRZ-CYBMUJFWSA-N 1 2 374.441 3.247 20 5 FGBDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000438316589 500768627 /nfs/dbraw/zinc/76/86/27/500768627.db2.gz WRGDHEWAFIPSBI-KRWDZBQOSA-N 1 2 362.813 3.165 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)co2)cc1 ZINC000611580057 506221716 /nfs/dbraw/zinc/22/17/16/506221716.db2.gz QITQNHVUBVCDIL-CQSZACIVSA-N 1 2 353.325 3.453 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](OC(F)F)C3)co2)cc1 ZINC000611580057 506221722 /nfs/dbraw/zinc/22/17/22/506221722.db2.gz QITQNHVUBVCDIL-CQSZACIVSA-N 1 2 353.325 3.453 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000444688464 500880047 /nfs/dbraw/zinc/88/00/47/500880047.db2.gz JZZKLKRWPZTRRY-IBGZPJMESA-N 1 2 350.378 3.103 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000444688464 500880049 /nfs/dbraw/zinc/88/00/49/500880049.db2.gz JZZKLKRWPZTRRY-IBGZPJMESA-N 1 2 350.378 3.103 20 5 FGBDLO Cc1cc(N2CCc3ncsc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445663179 501016719 /nfs/dbraw/zinc/01/67/19/501016719.db2.gz FLUHYLYPBUYAJF-UHFFFAOYSA-N 1 2 353.407 3.379 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506661 501020115 /nfs/dbraw/zinc/02/01/15/501020115.db2.gz ZGMNUWKDSDXTRH-KRWDZBQOSA-N 1 2 374.462 3.378 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506661 501020116 /nfs/dbraw/zinc/02/01/16/501020116.db2.gz ZGMNUWKDSDXTRH-KRWDZBQOSA-N 1 2 374.462 3.378 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000446110599 501076562 /nfs/dbraw/zinc/07/65/62/501076562.db2.gz ZNVQBQCBHYCATQ-UHFFFAOYSA-N 1 2 354.341 3.233 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000441066354 501082937 /nfs/dbraw/zinc/08/29/37/501082937.db2.gz OQVJYUOHPHGHBC-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000441066354 501082940 /nfs/dbraw/zinc/08/29/40/501082940.db2.gz OQVJYUOHPHGHBC-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(Cl)cc1 ZINC000446735060 501158389 /nfs/dbraw/zinc/15/83/89/501158389.db2.gz IJEFJSDXLVWRQK-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(Cl)cc1 ZINC000446735060 501158391 /nfs/dbraw/zinc/15/83/91/501158391.db2.gz IJEFJSDXLVWRQK-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596065260 506238190 /nfs/dbraw/zinc/23/81/90/506238190.db2.gz OSXGMFFLDVPWFM-OAHLLOKOSA-N 1 2 366.364 3.025 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000450832529 501215392 /nfs/dbraw/zinc/21/53/92/501215392.db2.gz RFNIVQMFDKHNOZ-SECBINFHSA-N 1 2 352.778 3.424 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451259034 501255896 /nfs/dbraw/zinc/25/58/96/501255896.db2.gz HKVLUTIEJLIXJI-BEFAXECRSA-N 1 2 371.368 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451259034 501255897 /nfs/dbraw/zinc/25/58/97/501255897.db2.gz HKVLUTIEJLIXJI-BEFAXECRSA-N 1 2 371.368 3.036 20 5 FGBDLO CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451525231 501312612 /nfs/dbraw/zinc/31/26/12/501312612.db2.gz FVHJZGWOLRZUEJ-HWWQOWPSSA-N 1 2 369.849 3.322 20 5 FGBDLO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451525231 501312614 /nfs/dbraw/zinc/31/26/14/501312614.db2.gz FVHJZGWOLRZUEJ-HWWQOWPSSA-N 1 2 369.849 3.322 20 5 FGBDLO C[C@@H]1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000451524686 501313052 /nfs/dbraw/zinc/31/30/52/501313052.db2.gz LOTWICFLNPOADU-ZIAGYGMSSA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000451812538 501377730 /nfs/dbraw/zinc/37/77/30/501377730.db2.gz HIBKTLHSNGMLKA-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000451812538 501377731 /nfs/dbraw/zinc/37/77/31/501377731.db2.gz HIBKTLHSNGMLKA-UHFFFAOYSA-N 1 2 358.398 3.180 20 5 FGBDLO C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458891243 501553941 /nfs/dbraw/zinc/55/39/41/501553941.db2.gz RUTWHNVVJZIBHE-LSDHHAIUSA-N 1 2 371.441 3.054 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454547584 501574932 /nfs/dbraw/zinc/57/49/32/501574932.db2.gz IHCVPANHXGTPLI-BBRMVZONSA-N 1 2 357.414 3.119 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000596112237 506265703 /nfs/dbraw/zinc/26/57/03/506265703.db2.gz KNJCHUROVLAXAB-NSHDSACASA-N 1 2 364.789 3.073 20 5 FGBDLO C[NH+](C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000457312838 501680005 /nfs/dbraw/zinc/68/00/05/501680005.db2.gz LJIGBAQHGIOKCN-UHFFFAOYSA-N 1 2 374.344 3.384 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000459646566 501692372 /nfs/dbraw/zinc/69/23/72/501692372.db2.gz AOUIVNCLJPTPFB-ZIAGYGMSSA-N 1 2 354.353 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000459646566 501692373 /nfs/dbraw/zinc/69/23/73/501692373.db2.gz AOUIVNCLJPTPFB-ZIAGYGMSSA-N 1 2 354.353 3.197 20 5 FGBDLO CCc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000468034200 501936794 /nfs/dbraw/zinc/93/67/94/501936794.db2.gz SNQRZTJKJQZHIM-UHFFFAOYSA-N 1 2 353.382 3.352 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)nc2c1 ZINC000482697025 502155948 /nfs/dbraw/zinc/15/59/48/502155948.db2.gz PHOFJSLLDCTNGI-UHFFFAOYSA-N 1 2 371.828 3.447 20 5 FGBDLO Cc1ccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000472035170 502206393 /nfs/dbraw/zinc/20/63/93/502206393.db2.gz NGZYXQQXPDNDFH-UHFFFAOYSA-N 1 2 355.438 3.372 20 5 FGBDLO Cc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000475623666 502232204 /nfs/dbraw/zinc/23/22/04/502232204.db2.gz RQNVIQHGCWROQR-UHFFFAOYSA-N 1 2 356.325 3.092 20 5 FGBDLO Cc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000475623666 502232207 /nfs/dbraw/zinc/23/22/07/502232207.db2.gz RQNVIQHGCWROQR-UHFFFAOYSA-N 1 2 356.325 3.092 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486829553 502276506 /nfs/dbraw/zinc/27/65/06/502276506.db2.gz VYRRTFVICIUCMR-UHFFFAOYSA-N 1 2 368.418 3.373 20 5 FGBDLO Cc1ccc([C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000469623899 502484333 /nfs/dbraw/zinc/48/43/33/502484333.db2.gz WONXRVSVJZIAIR-IBGZPJMESA-N 1 2 369.421 3.176 20 5 FGBDLO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000599086333 506316298 /nfs/dbraw/zinc/31/62/98/506316298.db2.gz JWVUCCLUBPBWLS-NUJGCVRESA-N 1 2 353.382 3.170 20 5 FGBDLO Cc1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000466635550 502628849 /nfs/dbraw/zinc/62/88/49/502628849.db2.gz ORFZDQPWMOFFSG-UYAOXDASSA-N 1 2 368.437 3.399 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000477205508 502707814 /nfs/dbraw/zinc/70/78/14/502707814.db2.gz JJDHKUNAJMVOLE-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO O=C(CC[N@@H+]1CCn2c(cc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000463418836 502792755 /nfs/dbraw/zinc/79/27/55/502792755.db2.gz UDDOPEDDFODZRI-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO O=C(CC[N@H+]1CCn2c(cc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000463418836 502792756 /nfs/dbraw/zinc/79/27/56/502792756.db2.gz UDDOPEDDFODZRI-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484985863 502793874 /nfs/dbraw/zinc/79/38/74/502793874.db2.gz SRNSXWNIPAWDNC-OAHLLOKOSA-N 1 2 364.490 3.210 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488741869 502799687 /nfs/dbraw/zinc/79/96/87/502799687.db2.gz CQAUSFRITJGQGS-NVXWUHKLSA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488741869 502799693 /nfs/dbraw/zinc/79/96/93/502799693.db2.gz CQAUSFRITJGQGS-NVXWUHKLSA-N 1 2 360.458 3.042 20 5 FGBDLO CCn1c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2cc(F)ccc21 ZINC000495512508 502849501 /nfs/dbraw/zinc/84/95/01/502849501.db2.gz GPKBUOAOKDSUDU-UHFFFAOYSA-N 1 2 355.373 3.057 20 5 FGBDLO CCn1c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2cc(F)ccc21 ZINC000495512508 502849506 /nfs/dbraw/zinc/84/95/06/502849506.db2.gz GPKBUOAOKDSUDU-UHFFFAOYSA-N 1 2 355.373 3.057 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000593021013 506341267 /nfs/dbraw/zinc/34/12/67/506341267.db2.gz JQGZXTVPVKZAAH-OAHLLOKOSA-N 1 2 361.423 3.387 20 5 FGBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505574592 502938654 /nfs/dbraw/zinc/93/86/54/502938654.db2.gz KNPYTFZPWZFERZ-KRWDZBQOSA-N 1 2 374.384 3.248 20 5 FGBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505574592 502938657 /nfs/dbraw/zinc/93/86/57/502938657.db2.gz KNPYTFZPWZFERZ-KRWDZBQOSA-N 1 2 374.384 3.248 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000505602781 502947039 /nfs/dbraw/zinc/94/70/39/502947039.db2.gz BDRXDOXVXFBQDY-UHFFFAOYSA-N 1 2 363.421 3.307 20 5 FGBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603388 502947100 /nfs/dbraw/zinc/94/71/00/502947100.db2.gz CTXAVPNXSMNDQX-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505603388 502947102 /nfs/dbraw/zinc/94/71/02/502947102.db2.gz CTXAVPNXSMNDQX-JQWIXIFHSA-N 1 2 360.357 3.204 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC000505737332 502975723 /nfs/dbraw/zinc/97/57/23/502975723.db2.gz WZPIRKNEQKBOIE-UHFFFAOYSA-N 1 2 360.439 3.334 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CCC2 ZINC000505898178 503008029 /nfs/dbraw/zinc/00/80/29/503008029.db2.gz HFJSYVLCFVDKTQ-LBPRGKRZSA-N 1 2 354.366 3.153 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000489782680 503033783 /nfs/dbraw/zinc/03/37/83/503033783.db2.gz JWEBJBSKJJNBKL-ZBFHGGJFSA-N 1 2 372.425 3.058 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000498139358 503116071 /nfs/dbraw/zinc/11/60/71/503116071.db2.gz UXOQCZRCJMOCJL-UHFFFAOYSA-N 1 2 370.453 3.398 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1C1CC1 ZINC000502361867 503187081 /nfs/dbraw/zinc/18/70/81/503187081.db2.gz DLHGCJLFLGLGDJ-UHFFFAOYSA-N 1 2 357.435 3.130 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1C1CC1 ZINC000502361867 503187082 /nfs/dbraw/zinc/18/70/82/503187082.db2.gz DLHGCJLFLGLGDJ-UHFFFAOYSA-N 1 2 357.435 3.130 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000498750483 503256527 /nfs/dbraw/zinc/25/65/27/503256527.db2.gz IAFRXGCLVGSNBD-VUCTXSBTSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000498750483 503256529 /nfs/dbraw/zinc/25/65/29/503256529.db2.gz IAFRXGCLVGSNBD-VUCTXSBTSA-N 1 2 354.834 3.000 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)ccc1[N+](=O)[O-] ZINC000492746525 503383695 /nfs/dbraw/zinc/38/36/95/503383695.db2.gz JVKQFFUFWYKRDC-UHFFFAOYSA-N 1 2 370.405 3.338 20 5 FGBDLO CCOc1cc(C[N@H+]2CCc3ccc(C(=O)OC)cc3C2)ccc1[N+](=O)[O-] ZINC000492746525 503383700 /nfs/dbraw/zinc/38/37/00/503383700.db2.gz JVKQFFUFWYKRDC-UHFFFAOYSA-N 1 2 370.405 3.338 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492776090 503384314 /nfs/dbraw/zinc/38/43/14/503384314.db2.gz UEPTVZFVRCBKKW-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO CCOc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492776090 503384317 /nfs/dbraw/zinc/38/43/17/503384317.db2.gz UEPTVZFVRCBKKW-GOSISDBHSA-N 1 2 356.422 3.437 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062885 506369003 /nfs/dbraw/zinc/36/90/03/506369003.db2.gz KEZXOQSIYCDZJR-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593062885 506369011 /nfs/dbraw/zinc/36/90/11/506369011.db2.gz KEZXOQSIYCDZJR-ZYHUDNBSSA-N 1 2 360.357 3.204 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493460788 503427917 /nfs/dbraw/zinc/42/79/17/503427917.db2.gz KGKGGSWXNZEECK-GFCCVEGCSA-N 1 2 374.466 3.353 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493460788 503427923 /nfs/dbraw/zinc/42/79/23/503427923.db2.gz KGKGGSWXNZEECK-GFCCVEGCSA-N 1 2 374.466 3.353 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000512128427 503464516 /nfs/dbraw/zinc/46/45/16/503464516.db2.gz CUBOMWFLBOENBF-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC000593075375 506378219 /nfs/dbraw/zinc/37/82/19/506378219.db2.gz QTLWNYDMFPKFHG-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC000593075375 506378226 /nfs/dbraw/zinc/37/82/26/506378226.db2.gz QTLWNYDMFPKFHG-UHFFFAOYSA-N 1 2 350.415 3.157 20 5 FGBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000512511878 503573728 /nfs/dbraw/zinc/57/37/28/503573728.db2.gz MXVKTVVHJUWAJV-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494631090 503577951 /nfs/dbraw/zinc/57/79/51/503577951.db2.gz BHZAAZSBXRAKRK-HNNXBMFYSA-N 1 2 359.407 3.443 20 5 FGBDLO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494641097 503581095 /nfs/dbraw/zinc/58/10/95/503581095.db2.gz DILUQQJMNJOJRH-SMDDNHRTSA-N 1 2 374.422 3.399 20 5 FGBDLO COc1ccc(CNc2nc(-c3ccncc3)[nH+]c(C)c2C)cc1[N+](=O)[O-] ZINC000500461021 503629911 /nfs/dbraw/zinc/62/99/11/503629911.db2.gz ZIJDACFAHONURW-UHFFFAOYSA-N 1 2 365.393 3.106 20 5 FGBDLO CN(C)c1nccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000495042765 503652210 /nfs/dbraw/zinc/65/22/10/503652210.db2.gz CZLXULQDIGXFRS-LJQANCHMSA-N 1 2 363.421 3.330 20 5 FGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000536647295 503657419 /nfs/dbraw/zinc/65/74/19/503657419.db2.gz NGNCKRYBRCHPPR-UHFFFAOYSA-N 1 2 362.451 3.409 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000536647295 503657427 /nfs/dbraw/zinc/65/74/27/503657427.db2.gz NGNCKRYBRCHPPR-UHFFFAOYSA-N 1 2 362.451 3.409 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000540327201 503737809 /nfs/dbraw/zinc/73/78/09/503737809.db2.gz SWPSAVXUWHTBCD-UONOGXRCSA-N 1 2 357.414 3.038 20 5 FGBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000546609360 503806832 /nfs/dbraw/zinc/80/68/32/503806832.db2.gz JOAMHLBZOZOUSE-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533366885 503819280 /nfs/dbraw/zinc/81/92/80/503819280.db2.gz VWULBIVAJTWLTP-MRXNPFEDSA-N 1 2 354.410 3.028 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533366885 503819287 /nfs/dbraw/zinc/81/92/87/503819287.db2.gz VWULBIVAJTWLTP-MRXNPFEDSA-N 1 2 354.410 3.028 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859079 503918683 /nfs/dbraw/zinc/91/86/83/503918683.db2.gz IMCSJXOHGFRQAF-CABCVRRESA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859079 503918687 /nfs/dbraw/zinc/91/86/87/503918687.db2.gz IMCSJXOHGFRQAF-CABCVRRESA-N 1 2 353.850 3.470 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2[nH+]1 ZINC000534683543 504215306 /nfs/dbraw/zinc/21/53/06/504215306.db2.gz XRQNXNJEWNIEJD-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)nc2c1 ZINC000547853053 504249170 /nfs/dbraw/zinc/24/91/70/504249170.db2.gz ZGWOPHZNDPSLMQ-INIZCTEOSA-N 1 2 374.441 3.021 20 5 FGBDLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542070008 504355707 /nfs/dbraw/zinc/35/57/07/504355707.db2.gz SZERNRQOBDLVAD-INIZCTEOSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542070008 504355712 /nfs/dbraw/zinc/35/57/12/504355712.db2.gz SZERNRQOBDLVAD-INIZCTEOSA-N 1 2 373.384 3.346 20 5 FGBDLO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000520293228 504456679 /nfs/dbraw/zinc/45/66/79/504456679.db2.gz YTOUMHPOUUOYKJ-INIZCTEOSA-N 1 2 361.442 3.075 20 5 FGBDLO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000520293228 504456682 /nfs/dbraw/zinc/45/66/82/504456682.db2.gz YTOUMHPOUUOYKJ-INIZCTEOSA-N 1 2 361.442 3.075 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000535516945 504457453 /nfs/dbraw/zinc/45/74/53/504457453.db2.gz RFQRYWGVAFXZJU-UHFFFAOYSA-N 1 2 352.394 3.302 20 5 FGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2cccc(F)c2[nH+]1 ZINC000531949689 504484520 /nfs/dbraw/zinc/48/45/20/504484520.db2.gz XPGQEGRSYXDQSI-UHFFFAOYSA-N 1 2 367.384 3.312 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4cn5ccccc5[nH+]4)no3)c2c1 ZINC000545600368 504537630 /nfs/dbraw/zinc/53/76/30/504537630.db2.gz DWFMUNJCRATLKB-UHFFFAOYSA-N 1 2 360.333 3.365 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000552926787 504789646 /nfs/dbraw/zinc/78/96/46/504789646.db2.gz YXMAAZTUMAATIJ-YOEHRIQHSA-N 1 2 356.426 3.165 20 5 FGBDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000553544967 504945555 /nfs/dbraw/zinc/94/55/55/504945555.db2.gz QFWDAINIHLXBTQ-SFHVURJKSA-N 1 2 364.405 3.199 20 5 FGBDLO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000563046458 505032864 /nfs/dbraw/zinc/03/28/64/505032864.db2.gz AYBYKGBOOXOICI-AWEZNQCLSA-N 1 2 363.414 3.219 20 5 FGBDLO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000563046458 505032869 /nfs/dbraw/zinc/03/28/69/505032869.db2.gz AYBYKGBOOXOICI-AWEZNQCLSA-N 1 2 363.414 3.219 20 5 FGBDLO CC[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000554424393 505172063 /nfs/dbraw/zinc/17/20/63/505172063.db2.gz DLHZBTNMCSQXNN-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO CC[N@@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000554424393 505172066 /nfs/dbraw/zinc/17/20/66/505172066.db2.gz DLHZBTNMCSQXNN-UHFFFAOYSA-N 1 2 361.829 3.387 20 5 FGBDLO Nc1nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]c2ccccc12 ZINC000566537897 505198894 /nfs/dbraw/zinc/19/88/94/505198894.db2.gz KLBCVKHONFIYAU-UHFFFAOYSA-N 1 2 363.299 3.003 20 5 FGBDLO CC(C)(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000557715291 505212052 /nfs/dbraw/zinc/21/20/52/505212052.db2.gz RNPMMOXOPNTGFH-UHFFFAOYSA-N 1 2 365.393 3.151 20 5 FGBDLO CN(C(=O)C[NH+]1CCC(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000551402009 505219257 /nfs/dbraw/zinc/21/92/57/505219257.db2.gz QQNUZSFFQLZJIB-UHFFFAOYSA-N 1 2 359.348 3.222 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cn2c1 ZINC000551726667 505293634 /nfs/dbraw/zinc/29/36/34/505293634.db2.gz WBNGNWJAPUUKRS-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000561390093 505333678 /nfs/dbraw/zinc/33/36/78/505333678.db2.gz OBWGREYPWADTGD-SFHVURJKSA-N 1 2 353.378 3.123 20 5 FGBDLO CC(=O)Nc1ccc(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552070952 505389874 /nfs/dbraw/zinc/38/98/74/505389874.db2.gz JZGVZUSXQLTHNC-SFHVURJKSA-N 1 2 365.393 3.488 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccnc3)n2)cc1 ZINC000561866292 505454034 /nfs/dbraw/zinc/45/40/34/505454034.db2.gz SELODQSGKQHZCH-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccnc3)n2)cc1 ZINC000561866292 505454035 /nfs/dbraw/zinc/45/40/35/505454035.db2.gz SELODQSGKQHZCH-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO COc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552311998 505457323 /nfs/dbraw/zinc/45/73/23/505457323.db2.gz LMKMUWJKGHYEBY-SECBINFHSA-N 1 2 367.203 3.007 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558734051 505476833 /nfs/dbraw/zinc/47/68/33/505476833.db2.gz LRELYKWRYYBGHD-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000558734051 505476839 /nfs/dbraw/zinc/47/68/39/505476839.db2.gz LRELYKWRYYBGHD-UHFFFAOYSA-N 1 2 371.393 3.314 20 5 FGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000599421315 506450119 /nfs/dbraw/zinc/45/01/19/506450119.db2.gz CDVNBVXQAWJGPD-ZDUSSCGKSA-N 1 2 374.441 3.310 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000582857262 506457944 /nfs/dbraw/zinc/45/79/44/506457944.db2.gz YQPWQCCOASJPPZ-UHFFFAOYSA-N 1 2 354.414 3.496 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000596589588 506476387 /nfs/dbraw/zinc/47/63/87/506476387.db2.gz ABWXILHJSADOQB-SFHVURJKSA-N 1 2 357.410 3.460 20 5 FGBDLO COc1ccc(OCC[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000596589588 506476391 /nfs/dbraw/zinc/47/63/91/506476391.db2.gz ABWXILHJSADOQB-SFHVURJKSA-N 1 2 357.410 3.460 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000589272711 506503992 /nfs/dbraw/zinc/50/39/92/506503992.db2.gz OLQRNJWKTIPVJC-HOCLYGCPSA-N 1 2 367.833 3.076 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000589272711 506503998 /nfs/dbraw/zinc/50/39/98/506503998.db2.gz OLQRNJWKTIPVJC-HOCLYGCPSA-N 1 2 367.833 3.076 20 5 FGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000589272713 506504455 /nfs/dbraw/zinc/50/44/55/506504455.db2.gz OLQRNJWKTIPVJC-ZBFHGGJFSA-N 1 2 367.833 3.076 20 5 FGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000589272713 506504460 /nfs/dbraw/zinc/50/44/60/506504460.db2.gz OLQRNJWKTIPVJC-ZBFHGGJFSA-N 1 2 367.833 3.076 20 5 FGBDLO O=C1C[C@]2(CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576916 506507433 /nfs/dbraw/zinc/50/74/33/506507433.db2.gz XYLZIDDTHJEZPE-FQEVSTJZSA-N 1 2 368.389 3.300 20 5 FGBDLO O=C1C[C@]2(CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576916 506507438 /nfs/dbraw/zinc/50/74/38/506507438.db2.gz XYLZIDDTHJEZPE-FQEVSTJZSA-N 1 2 368.389 3.300 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599642163 506546844 /nfs/dbraw/zinc/54/68/44/506546844.db2.gz JXESNPCXZQKBCE-UHFFFAOYSA-N 1 2 372.425 3.406 20 5 FGBDLO CSc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000589495174 506568512 /nfs/dbraw/zinc/56/85/12/506568512.db2.gz YPICOLIHNJASLJ-UHFFFAOYSA-N 1 2 350.469 3.095 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC000589497246 506569299 /nfs/dbraw/zinc/56/92/99/506569299.db2.gz IZAPRQSZUFBKNJ-CYBMUJFWSA-N 1 2 356.378 3.337 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC000589497246 506569302 /nfs/dbraw/zinc/56/93/02/506569302.db2.gz IZAPRQSZUFBKNJ-CYBMUJFWSA-N 1 2 356.378 3.337 20 5 FGBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599689564 506583047 /nfs/dbraw/zinc/58/30/47/506583047.db2.gz JPZMKTVCCFCQHV-CQSZACIVSA-N 1 2 359.348 3.104 20 5 FGBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599689564 506583051 /nfs/dbraw/zinc/58/30/51/506583051.db2.gz JPZMKTVCCFCQHV-CQSZACIVSA-N 1 2 359.348 3.104 20 5 FGBDLO COc1ccccc1CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609075610 506770595 /nfs/dbraw/zinc/77/05/95/506770595.db2.gz GTIHFJGXEYIZSU-MRXNPFEDSA-N 1 2 355.438 3.482 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233213 506821894 /nfs/dbraw/zinc/82/18/94/506821894.db2.gz BNRXBAJGQVVBFX-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233213 506821901 /nfs/dbraw/zinc/82/19/01/506821901.db2.gz BNRXBAJGQVVBFX-KXBFYZLASA-N 1 2 369.421 3.385 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000604492498 506848170 /nfs/dbraw/zinc/84/81/70/506848170.db2.gz AQWNTFXIGOTSPM-UHFFFAOYSA-N 1 2 361.398 3.436 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000604492498 506848172 /nfs/dbraw/zinc/84/81/72/506848172.db2.gz AQWNTFXIGOTSPM-UHFFFAOYSA-N 1 2 361.398 3.436 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567474 506863748 /nfs/dbraw/zinc/86/37/48/506863748.db2.gz HUSMONGWDNWBHJ-UHFFFAOYSA-N 1 2 371.384 3.079 20 5 FGBDLO CCC(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)(C1CC1)C1CC1 ZINC000600246960 506870130 /nfs/dbraw/zinc/87/01/30/506870130.db2.gz UCHDYADNAOAWPR-UHFFFAOYSA-N 1 2 354.410 3.479 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000609564098 506923158 /nfs/dbraw/zinc/92/31/58/506923158.db2.gz GPUKGSBZVTWJRY-CQSZACIVSA-N 1 2 367.858 3.165 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000597441978 506955220 /nfs/dbraw/zinc/95/52/20/506955220.db2.gz IXBIJJTXNYSVFD-INIZCTEOSA-N 1 2 355.394 3.119 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600678902 507062431 /nfs/dbraw/zinc/06/24/31/507062431.db2.gz OYZBRLYQJDJMDJ-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3n(n2)CCCC3)cc(C(F)(F)F)c1 ZINC000594504426 507159143 /nfs/dbraw/zinc/15/91/43/507159143.db2.gz ONWDTRMSVPDYNO-UHFFFAOYSA-N 1 2 354.332 3.436 20 5 FGBDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594709181 507247615 /nfs/dbraw/zinc/24/76/15/507247615.db2.gz DKQGJFXJVMKECY-IUCAKERBSA-N 1 2 354.819 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610575916 507296239 /nfs/dbraw/zinc/29/62/39/507296239.db2.gz FVEFQGFIXJANSI-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000610575916 507296247 /nfs/dbraw/zinc/29/62/47/507296247.db2.gz FVEFQGFIXJANSI-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613979499 507324341 /nfs/dbraw/zinc/32/43/41/507324341.db2.gz FSUIUAPSFBXEPQ-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613979499 507324349 /nfs/dbraw/zinc/32/43/49/507324349.db2.gz FSUIUAPSFBXEPQ-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595046136 507366189 /nfs/dbraw/zinc/36/61/89/507366189.db2.gz XXVLYOSDIBDUAK-NXEZZACHSA-N 1 2 365.411 3.258 20 5 FGBDLO COCc1csc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000595077072 507381243 /nfs/dbraw/zinc/38/12/43/507381243.db2.gz LNJCYSNWQJRWQQ-KRWDZBQOSA-N 1 2 372.450 3.415 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CCC(F)CC1 ZINC000591994325 507445140 /nfs/dbraw/zinc/44/51/40/507445140.db2.gz JTMOQELCDZVAME-UHFFFAOYSA-N 1 2 351.422 3.367 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595294804 507451708 /nfs/dbraw/zinc/45/17/08/507451708.db2.gz GJQIRHXRKBRQMV-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595294804 507451717 /nfs/dbraw/zinc/45/17/17/507451717.db2.gz GJQIRHXRKBRQMV-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598650688 507535260 /nfs/dbraw/zinc/53/52/60/507535260.db2.gz VZQYHAMMDHMHRT-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598650688 507535262 /nfs/dbraw/zinc/53/52/62/507535262.db2.gz VZQYHAMMDHMHRT-CQSZACIVSA-N 1 2 372.425 3.074 20 5 FGBDLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602076634 507581177 /nfs/dbraw/zinc/58/11/77/507581177.db2.gz ZMCGJPYLYNWSLW-GXFFZTMASA-N 1 2 356.304 3.162 20 5 FGBDLO Cc1cn2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2[nH+]1 ZINC000602130156 507603132 /nfs/dbraw/zinc/60/31/32/507603132.db2.gz VBJSDPNOMITRTC-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000585800640 507636425 /nfs/dbraw/zinc/63/64/25/507636425.db2.gz DHBDDJIESUYZMJ-DJIMGWMZSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000585800640 507636429 /nfs/dbraw/zinc/63/64/29/507636429.db2.gz DHBDDJIESUYZMJ-DJIMGWMZSA-N 1 2 354.834 3.000 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703484 507638562 /nfs/dbraw/zinc/63/85/62/507638562.db2.gz MBCPGUNYQRASQT-MSOLQXFVSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703484 507638569 /nfs/dbraw/zinc/63/85/69/507638569.db2.gz MBCPGUNYQRASQT-MSOLQXFVSA-N 1 2 355.369 3.286 20 5 FGBDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595758840 507670079 /nfs/dbraw/zinc/67/00/79/507670079.db2.gz IVRVPFSHESSSIO-INIZCTEOSA-N 1 2 364.833 3.297 20 5 FGBDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595758840 507670084 /nfs/dbraw/zinc/67/00/84/507670084.db2.gz IVRVPFSHESSSIO-INIZCTEOSA-N 1 2 364.833 3.297 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)n2)c1 ZINC000595821944 507699876 /nfs/dbraw/zinc/69/98/76/507699876.db2.gz JHWLPMDUHNXOFF-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)n2)c1 ZINC000595821944 507699881 /nfs/dbraw/zinc/69/98/81/507699881.db2.gz JHWLPMDUHNXOFF-UHFFFAOYSA-N 1 2 370.409 3.036 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051158 507705795 /nfs/dbraw/zinc/70/57/95/507705795.db2.gz HSMNKWBDTAGDRU-LBPRGKRZSA-N 1 2 360.439 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc(N4CCCCC4)nc3)nc2c1 ZINC000602512383 507733831 /nfs/dbraw/zinc/73/38/31/507733831.db2.gz AVEITDDOJDMKCA-UHFFFAOYSA-N 1 2 367.409 3.411 20 5 FGBDLO Cn1ncc2c1CC(C)(C)CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596001495 507755311 /nfs/dbraw/zinc/75/53/11/507755311.db2.gz VOWZXQUUIKDHGK-UHFFFAOYSA-N 1 2 351.410 3.465 20 5 FGBDLO Cc1ccc(C[N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)s1 ZINC000154737784 705047361 /nfs/dbraw/zinc/04/73/61/705047361.db2.gz IRTWGCBFQIMTDC-UHFFFAOYSA-N 1 2 360.439 3.296 20 5 FGBDLO Cc1ccc(C[N@@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)s1 ZINC000154737784 705047368 /nfs/dbraw/zinc/04/73/68/705047368.db2.gz IRTWGCBFQIMTDC-UHFFFAOYSA-N 1 2 360.439 3.296 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000373895848 713881000 /nfs/dbraw/zinc/88/10/00/713881000.db2.gz YXAUYEBLEMDCNA-LLVKDONJSA-N 1 2 363.805 3.393 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494506 722516886 /nfs/dbraw/zinc/51/68/86/722516886.db2.gz YXKMICWBOCWEDB-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735494506 722516887 /nfs/dbraw/zinc/51/68/87/722516887.db2.gz YXKMICWBOCWEDB-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000746663664 722612884 /nfs/dbraw/zinc/61/28/84/722612884.db2.gz UGHZHZOMXKIHPH-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000746663664 722612885 /nfs/dbraw/zinc/61/28/85/722612885.db2.gz UGHZHZOMXKIHPH-QGZVFWFLSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671351 722613763 /nfs/dbraw/zinc/61/37/63/722613763.db2.gz JENKVHACRFNSDK-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671351 722613764 /nfs/dbraw/zinc/61/37/64/722613764.db2.gz JENKVHACRFNSDK-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO COc1cc(C[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000793362982 723430138 /nfs/dbraw/zinc/43/01/38/723430138.db2.gz ZANZQENAWOGSSX-UHFFFAOYSA-N 1 2 366.311 3.478 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796163943 723624348 /nfs/dbraw/zinc/62/43/48/723624348.db2.gz RTEBHXZXMWGMQH-ZDUSSCGKSA-N 1 2 355.822 3.349 20 5 FGBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796163943 723624350 /nfs/dbraw/zinc/62/43/50/723624350.db2.gz RTEBHXZXMWGMQH-ZDUSSCGKSA-N 1 2 355.822 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000809697533 725260005 /nfs/dbraw/zinc/26/00/05/725260005.db2.gz IPCUBROMLVQWDO-MNOVXSKESA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000809697533 725260007 /nfs/dbraw/zinc/26/00/07/725260007.db2.gz IPCUBROMLVQWDO-MNOVXSKESA-N 1 2 352.740 3.241 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000810037030 725283836 /nfs/dbraw/zinc/28/38/36/725283836.db2.gz YBJJHJSWLOKHER-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000810037030 725283837 /nfs/dbraw/zinc/28/38/37/725283837.db2.gz YBJJHJSWLOKHER-OAHLLOKOSA-N 1 2 367.833 3.491 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccnc(Cl)c3Cl)nc2c1 ZINC000811495689 725369562 /nfs/dbraw/zinc/36/95/62/725369562.db2.gz IPCDLUPWPDCZCW-UHFFFAOYSA-N 1 2 352.181 3.463 20 5 FGBDLO O=C(OCCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000836107083 729941896 /nfs/dbraw/zinc/94/18/96/729941896.db2.gz SHEBDPAZKVNOAP-UHFFFAOYSA-N 1 2 351.309 3.373 20 5 FGBDLO Cc1cc(C)c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000837105103 729993856 /nfs/dbraw/zinc/99/38/56/729993856.db2.gz PKBHOMBWCLIUJL-UHFFFAOYSA-N 1 2 351.765 3.258 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)nc1-c1ccccn1 ZINC000853509511 731715773 /nfs/dbraw/zinc/71/57/73/731715773.db2.gz XJMUIYZDINJWBY-LLVKDONJSA-N 1 2 355.320 3.085 20 5 FGBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](CC(F)(F)F)C2)nc1-c1ccccn1 ZINC000853509511 731715776 /nfs/dbraw/zinc/71/57/76/731715776.db2.gz XJMUIYZDINJWBY-LLVKDONJSA-N 1 2 355.320 3.085 20 5 FGBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C(F)F)c1 ZINC000865459161 733205132 /nfs/dbraw/zinc/20/51/32/733205132.db2.gz CHQIKWUACCYWPS-INIZCTEOSA-N 1 2 373.425 3.152 20 5 FGBDLO Cn1ncc(Br)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877675578 736703008 /nfs/dbraw/zinc/70/30/08/736703008.db2.gz RLIMFUJBFFHJCI-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000877960179 736750393 /nfs/dbraw/zinc/75/03/93/736750393.db2.gz HIGLLCGNEUMJGY-LBPRGKRZSA-N 1 2 373.425 3.240 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000886310814 739243571 /nfs/dbraw/zinc/24/35/71/739243571.db2.gz VSLFAISLSICNFC-CQSZACIVSA-N 1 2 366.215 3.230 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000898312935 742773625 /nfs/dbraw/zinc/77/36/25/742773625.db2.gz PTMFBXBLAHYHSP-UHFFFAOYSA-N 1 2 352.391 3.285 20 5 FGBDLO CC[N@@H+](Cc1ccccc1C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615219 758249835 /nfs/dbraw/zinc/24/98/35/758249835.db2.gz IUUFUHCXTDDQFY-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO CC[N@H+](Cc1ccccc1C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615219 758249843 /nfs/dbraw/zinc/24/98/43/758249843.db2.gz IUUFUHCXTDDQFY-UHFFFAOYSA-N 1 2 353.220 3.342 20 5 FGBDLO O=C(NCc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016024271 211153478 /nfs/dbraw/zinc/15/34/78/211153478.db2.gz PNHVANSUXRDEFJ-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000057813781 221094127 /nfs/dbraw/zinc/09/41/27/221094127.db2.gz KEWBWWARCNVOMJ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000057813781 221094130 /nfs/dbraw/zinc/09/41/30/221094130.db2.gz KEWBWWARCNVOMJ-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000057755897 493794183 /nfs/dbraw/zinc/79/41/83/493794183.db2.gz BMEZGVYCADMNAG-VOTSOKGWSA-N 1 2 368.315 3.025 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000029054783 493813895 /nfs/dbraw/zinc/81/38/95/493813895.db2.gz AATRPWABNIEEIN-UHFFFAOYSA-N 1 2 353.831 3.405 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000029054783 493813898 /nfs/dbraw/zinc/81/38/98/493813898.db2.gz AATRPWABNIEEIN-UHFFFAOYSA-N 1 2 353.831 3.405 20 5 FGBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)cc1 ZINC000051232547 493955198 /nfs/dbraw/zinc/95/51/98/493955198.db2.gz KSGCIIQVPISAKL-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000051451851 493970596 /nfs/dbraw/zinc/97/05/96/493970596.db2.gz DNRPFMXDZQSUCN-QGZVFWFLSA-N 1 2 353.378 3.207 20 5 FGBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1 ZINC000007492734 494026214 /nfs/dbraw/zinc/02/62/14/494026214.db2.gz OSXGEWJHBIXHSE-UHFFFAOYSA-N 1 2 374.828 3.009 20 5 FGBDLO C[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccccc1[N+](=O)[O-] ZINC000052589649 494043842 /nfs/dbraw/zinc/04/38/42/494043842.db2.gz QVGHNZDPBSKQPG-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO C[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccccc1[N+](=O)[O-] ZINC000052589649 494043845 /nfs/dbraw/zinc/04/38/45/494043845.db2.gz QVGHNZDPBSKQPG-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000007857928 494048440 /nfs/dbraw/zinc/04/84/40/494048440.db2.gz KSVQVMILQZJMDW-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000007857928 494048443 /nfs/dbraw/zinc/04/84/43/494048443.db2.gz KSVQVMILQZJMDW-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000052993929 494082633 /nfs/dbraw/zinc/08/26/33/494082633.db2.gz MZDRLPYMYVBUIR-UHFFFAOYSA-N 1 2 359.382 3.108 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000052993929 494082636 /nfs/dbraw/zinc/08/26/36/494082636.db2.gz MZDRLPYMYVBUIR-UHFFFAOYSA-N 1 2 359.382 3.108 20 5 FGBDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053125061 494096055 /nfs/dbraw/zinc/09/60/55/494096055.db2.gz RACJLJBRQJVGTI-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053125061 494096057 /nfs/dbraw/zinc/09/60/57/494096057.db2.gz RACJLJBRQJVGTI-ZDUSSCGKSA-N 1 2 357.385 3.316 20 5 FGBDLO CN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036768203 494098498 /nfs/dbraw/zinc/09/84/98/494098498.db2.gz INGBIASEEOIPRO-UHFFFAOYSA-N 1 2 354.341 3.192 20 5 FGBDLO CCc1cc(NCCC(=O)N[C@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053573734 494149269 /nfs/dbraw/zinc/14/92/69/494149269.db2.gz FDZIJLGPMMDWTG-CYBMUJFWSA-N 1 2 371.441 3.331 20 5 FGBDLO CCc1cc(NC[C@](C)(O)CSC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078022543 494213265 /nfs/dbraw/zinc/21/32/65/494213265.db2.gz CHIWOHGFELTVTM-KRWDZBQOSA-N 1 2 362.455 3.140 20 5 FGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088494255 494244063 /nfs/dbraw/zinc/24/40/63/494244063.db2.gz OTZVRHNVVPMKCE-INIZCTEOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088494255 494244067 /nfs/dbraw/zinc/24/40/67/494244067.db2.gz OTZVRHNVVPMKCE-INIZCTEOSA-N 1 2 361.348 3.110 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605656 494253084 /nfs/dbraw/zinc/25/30/84/494253084.db2.gz KKUFYONUYSOAMT-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605656 494253091 /nfs/dbraw/zinc/25/30/91/494253091.db2.gz KKUFYONUYSOAMT-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000088727641 494256889 /nfs/dbraw/zinc/25/68/89/494256889.db2.gz OKTPYIJDBIRBBB-NSHDSACASA-N 1 2 352.192 3.207 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000067031824 494458431 /nfs/dbraw/zinc/45/84/31/494458431.db2.gz XWKHFULFYBWJCF-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000067057807 494464846 /nfs/dbraw/zinc/46/48/46/494464846.db2.gz RIXSNZBBOGMEBC-UHFFFAOYSA-N 1 2 366.377 3.431 20 5 FGBDLO CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121359 494496073 /nfs/dbraw/zinc/49/60/73/494496073.db2.gz FIWWTQZHOIGGJB-UHFFFAOYSA-N 1 2 359.451 3.378 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000574240345 505727959 /nfs/dbraw/zinc/72/79/59/505727959.db2.gz NOHSOZOYCZOZRD-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000574240345 505727962 /nfs/dbraw/zinc/72/79/62/505727962.db2.gz NOHSOZOYCZOZRD-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047189301 494652702 /nfs/dbraw/zinc/65/27/02/494652702.db2.gz HUDXBIIGQLBTJU-KDOFPFPSSA-N 1 2 372.425 3.106 20 5 FGBDLO O=C(NCc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057356139 494720460 /nfs/dbraw/zinc/72/04/60/494720460.db2.gz RTUTVJMTHBVTLC-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514680 494725662 /nfs/dbraw/zinc/72/56/62/494725662.db2.gz VDFJBQXWQXJBEU-UHFFFAOYSA-N 1 2 351.366 3.221 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000126685483 494819656 /nfs/dbraw/zinc/81/96/56/494819656.db2.gz LDVIOBCBPKPXKN-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027371864 494865132 /nfs/dbraw/zinc/86/51/32/494865132.db2.gz AXXAYERVYJMSDG-GFCCVEGCSA-N 1 2 357.435 3.165 20 5 FGBDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027371864 494865135 /nfs/dbraw/zinc/86/51/35/494865135.db2.gz AXXAYERVYJMSDG-GFCCVEGCSA-N 1 2 357.435 3.165 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132957848 494948553 /nfs/dbraw/zinc/94/85/53/494948553.db2.gz NSCOGQWMFCJVLK-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132957848 494948557 /nfs/dbraw/zinc/94/85/57/494948557.db2.gz NSCOGQWMFCJVLK-NSHDSACASA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119119003 495097591 /nfs/dbraw/zinc/09/75/91/495097591.db2.gz WYILHIKNANNBII-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119119003 495097592 /nfs/dbraw/zinc/09/75/92/495097592.db2.gz WYILHIKNANNBII-KRWDZBQOSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000114244440 495356838 /nfs/dbraw/zinc/35/68/38/495356838.db2.gz IWPMLUSSIKGFEW-UHFFFAOYSA-N 1 2 366.377 3.028 20 5 FGBDLO O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120702644 495438928 /nfs/dbraw/zinc/43/89/28/495438928.db2.gz IKKGKTKHOFFELX-PWIZWCRZSA-N 1 2 374.400 3.239 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000140304207 495492906 /nfs/dbraw/zinc/49/29/06/495492906.db2.gz PLUVVZWCNVQRRU-SFHVURJKSA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000140304207 495492907 /nfs/dbraw/zinc/49/29/07/495492907.db2.gz PLUVVZWCNVQRRU-SFHVURJKSA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141947598 495512214 /nfs/dbraw/zinc/51/22/14/495512214.db2.gz SPYVMQHTJOOECI-CQSZACIVSA-N 1 2 374.466 3.269 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141947598 495512216 /nfs/dbraw/zinc/51/22/16/495512216.db2.gz SPYVMQHTJOOECI-CQSZACIVSA-N 1 2 374.466 3.269 20 5 FGBDLO CCCO[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000170973258 495673795 /nfs/dbraw/zinc/67/37/95/495673795.db2.gz KGRQBMUKMRQLGN-INIZCTEOSA-N 1 2 372.425 3.202 20 5 FGBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179913251 495780595 /nfs/dbraw/zinc/78/05/95/495780595.db2.gz PPEAFJSIAASYNR-GFCCVEGCSA-N 1 2 361.373 3.340 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000151441125 495840758 /nfs/dbraw/zinc/84/07/58/495840758.db2.gz JNBBUPAFWCHVME-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151441125 495840764 /nfs/dbraw/zinc/84/07/64/495840764.db2.gz JNBBUPAFWCHVME-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO CCc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000174225752 495871929 /nfs/dbraw/zinc/87/19/29/495871929.db2.gz OKUJMSIHNXLXOI-UHFFFAOYSA-N 1 2 356.426 3.213 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000574612310 505814965 /nfs/dbraw/zinc/81/49/65/505814965.db2.gz NAXMKVNXBILUQA-UHFFFAOYSA-N 1 2 356.407 3.441 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccs1)CCO2 ZINC000574612310 505814967 /nfs/dbraw/zinc/81/49/67/505814967.db2.gz NAXMKVNXBILUQA-UHFFFAOYSA-N 1 2 356.407 3.441 20 5 FGBDLO Cn1c(=O)c2ccccc2nc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155699810 496038919 /nfs/dbraw/zinc/03/89/19/496038919.db2.gz CCAQCJPNYMLCHI-UHFFFAOYSA-N 1 2 364.405 3.006 20 5 FGBDLO Cn1c(=O)c2ccccc2nc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155699810 496038921 /nfs/dbraw/zinc/03/89/21/496038921.db2.gz CCAQCJPNYMLCHI-UHFFFAOYSA-N 1 2 364.405 3.006 20 5 FGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000183920160 496161490 /nfs/dbraw/zinc/16/14/90/496161490.db2.gz YLPIIRFNWAECEA-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000175179934 496279772 /nfs/dbraw/zinc/27/97/72/496279772.db2.gz NYJUWTYPFITIRE-UHFFFAOYSA-N 1 2 353.378 3.436 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000175179934 496279777 /nfs/dbraw/zinc/27/97/77/496279777.db2.gz NYJUWTYPFITIRE-UHFFFAOYSA-N 1 2 353.378 3.436 20 5 FGBDLO CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178029252 496295643 /nfs/dbraw/zinc/29/56/43/496295643.db2.gz BZANWHDFKBPTQK-XJKSGUPXSA-N 1 2 360.439 3.185 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175272535 496318124 /nfs/dbraw/zinc/31/81/24/496318124.db2.gz CFCZZXOLBQEEKJ-PBHICJAKSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000175272535 496318128 /nfs/dbraw/zinc/31/81/28/496318128.db2.gz CFCZZXOLBQEEKJ-PBHICJAKSA-N 1 2 369.421 3.083 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000184404904 496370580 /nfs/dbraw/zinc/37/05/80/496370580.db2.gz RRTTYNFMRCSTJP-AWEZNQCLSA-N 1 2 352.362 3.375 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172664698 496379424 /nfs/dbraw/zinc/37/94/24/496379424.db2.gz OBIYGOSZAWVFJV-UHFFFAOYSA-N 1 2 365.433 3.042 20 5 FGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000162820589 496418445 /nfs/dbraw/zinc/41/84/45/496418445.db2.gz QBACGHIZMPQQDV-UHFFFAOYSA-N 1 2 374.360 3.423 20 5 FGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000172802805 496438342 /nfs/dbraw/zinc/43/83/42/496438342.db2.gz RXHOKEYQLLWRRN-CYBMUJFWSA-N 1 2 370.434 3.451 20 5 FGBDLO CN(CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000172939191 496496072 /nfs/dbraw/zinc/49/60/72/496496072.db2.gz PONJJYMQDHYLBG-UHFFFAOYSA-N 1 2 351.366 3.060 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187592198 496502596 /nfs/dbraw/zinc/50/25/96/496502596.db2.gz SNCQRLSAMMHBEU-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187592198 496502600 /nfs/dbraw/zinc/50/26/00/496502600.db2.gz SNCQRLSAMMHBEU-SJCJKPOMSA-N 1 2 369.849 3.060 20 5 FGBDLO Cc1csc(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000173125621 496559594 /nfs/dbraw/zinc/55/95/94/496559594.db2.gz SUQVFBXMGUUGES-UHFFFAOYSA-N 1 2 369.406 3.355 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000157927514 496587034 /nfs/dbraw/zinc/58/70/34/496587034.db2.gz NFPXIYMCZGOQON-INIZCTEOSA-N 1 2 368.397 3.069 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000157927514 496587037 /nfs/dbraw/zinc/58/70/37/496587037.db2.gz NFPXIYMCZGOQON-INIZCTEOSA-N 1 2 368.397 3.069 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000182055736 496651906 /nfs/dbraw/zinc/65/19/06/496651906.db2.gz JVLOPUAZJDCXQO-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000182055736 496651908 /nfs/dbraw/zinc/65/19/08/496651908.db2.gz JVLOPUAZJDCXQO-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000165950136 496673363 /nfs/dbraw/zinc/67/33/63/496673363.db2.gz JTXNPGOLQNFYME-INIZCTEOSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000165950136 496673365 /nfs/dbraw/zinc/67/33/65/496673365.db2.gz JTXNPGOLQNFYME-INIZCTEOSA-N 1 2 373.409 3.116 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000273617771 496855081 /nfs/dbraw/zinc/85/50/81/496855081.db2.gz PUGQYKOEOOREAB-SSDOTTSWSA-N 1 2 374.369 3.216 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264265113 496856040 /nfs/dbraw/zinc/85/60/40/496856040.db2.gz QYBZLDHTUBFSJU-ZDUSSCGKSA-N 1 2 373.384 3.379 20 5 FGBDLO Cc1cc(N[C@@H](C)C(=O)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303613 496882578 /nfs/dbraw/zinc/88/25/78/496882578.db2.gz ISFZBVNZXDSCRJ-AWEZNQCLSA-N 1 2 369.425 3.173 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248421787 497006634 /nfs/dbraw/zinc/00/66/34/497006634.db2.gz MKKIIJFWUZSFFJ-HUUCEWRRSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248421787 497006636 /nfs/dbraw/zinc/00/66/36/497006636.db2.gz MKKIIJFWUZSFFJ-HUUCEWRRSA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@]1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596478500 506426460 /nfs/dbraw/zinc/42/64/60/506426460.db2.gz OLQYEFZXRIDJDW-INIZCTEOSA-N 1 2 355.385 3.274 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248805565 497106732 /nfs/dbraw/zinc/10/67/32/497106732.db2.gz ZVXLTIVBNBRQGF-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248805565 497106738 /nfs/dbraw/zinc/10/67/38/497106738.db2.gz ZVXLTIVBNBRQGF-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO CSc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000192463507 497121654 /nfs/dbraw/zinc/12/16/54/497121654.db2.gz NTEBNUXOWPJYME-UHFFFAOYSA-N 1 2 372.450 3.111 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000271112443 497266596 /nfs/dbraw/zinc/26/65/96/497266596.db2.gz BVWVVOVGZXJCDR-KRWDZBQOSA-N 1 2 374.466 3.225 20 5 FGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266302576 497299335 /nfs/dbraw/zinc/29/93/35/497299335.db2.gz RBLSZKJXIMDNOA-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246853 497302745 /nfs/dbraw/zinc/30/27/45/497302745.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)[nH]1 ZINC000271246853 497302749 /nfs/dbraw/zinc/30/27/49/497302749.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000271246853 497302753 /nfs/dbraw/zinc/30/27/53/497302753.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000271246853 497302759 /nfs/dbraw/zinc/30/27/59/497302759.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n[nH]1 ZINC000271246853 497302761 /nfs/dbraw/zinc/30/27/61/497302761.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n[nH]1 ZINC000271246853 497302767 /nfs/dbraw/zinc/30/27/67/497302767.db2.gz CNPVNNOOUOELHS-LLVKDONJSA-N 1 2 367.356 3.002 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279121985 497340796 /nfs/dbraw/zinc/34/07/96/497340796.db2.gz CXWLZGOJXJVRLZ-SFHVURJKSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000572175255 505906793 /nfs/dbraw/zinc/90/67/93/505906793.db2.gz DNUYRZFNMWVZHA-OAHLLOKOSA-N 1 2 354.410 3.035 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000572175255 505906798 /nfs/dbraw/zinc/90/67/98/505906798.db2.gz DNUYRZFNMWVZHA-OAHLLOKOSA-N 1 2 354.410 3.035 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000572175254 505907425 /nfs/dbraw/zinc/90/74/25/505907425.db2.gz DNUYRZFNMWVZHA-HNNXBMFYSA-N 1 2 354.410 3.035 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000572175254 505907426 /nfs/dbraw/zinc/90/74/26/505907426.db2.gz DNUYRZFNMWVZHA-HNNXBMFYSA-N 1 2 354.410 3.035 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000193794193 497484435 /nfs/dbraw/zinc/48/44/35/497484435.db2.gz SFHRNZQAUJTHKE-INIZCTEOSA-N 1 2 361.354 3.277 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000193794193 497484437 /nfs/dbraw/zinc/48/44/37/497484437.db2.gz SFHRNZQAUJTHKE-INIZCTEOSA-N 1 2 361.354 3.277 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276354134 497551779 /nfs/dbraw/zinc/55/17/79/497551779.db2.gz XCAMTHKNWXSFKP-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276354134 497551787 /nfs/dbraw/zinc/55/17/87/497551787.db2.gz XCAMTHKNWXSFKP-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272477440 497639549 /nfs/dbraw/zinc/63/95/49/497639549.db2.gz BLTJSYYUIAHFJY-SFHVURJKSA-N 1 2 358.442 3.357 20 5 FGBDLO CCc1cnc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272575181 497667537 /nfs/dbraw/zinc/66/75/37/497667537.db2.gz WZKIAIBCQJVKKY-INIZCTEOSA-N 1 2 357.439 3.226 20 5 FGBDLO Cc1nn(C)c(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000273108574 497799799 /nfs/dbraw/zinc/79/97/99/497799799.db2.gz NKYIFTWZOPZJKI-ZDUSSCGKSA-N 1 2 354.414 3.205 20 5 FGBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000284649317 497854016 /nfs/dbraw/zinc/85/40/16/497854016.db2.gz FXVKEKDSLHSXCN-GXTWGEPZSA-N 1 2 358.225 3.049 20 5 FGBDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000284649317 497854011 /nfs/dbraw/zinc/85/40/11/497854011.db2.gz FXVKEKDSLHSXCN-GXTWGEPZSA-N 1 2 358.225 3.049 20 5 FGBDLO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000292046280 497854171 /nfs/dbraw/zinc/85/41/71/497854171.db2.gz YFCZPYJASRTBEN-VIFPVBQESA-N 1 2 357.197 3.164 20 5 FGBDLO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280923372 497952245 /nfs/dbraw/zinc/95/22/45/497952245.db2.gz JQEUPJDRXKFCRV-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO COc1cc(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301335964 498061846 /nfs/dbraw/zinc/06/18/46/498061846.db2.gz CYCROGDRNLRZEM-IBGZPJMESA-N 1 2 371.437 3.397 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581399652 505979062 /nfs/dbraw/zinc/97/90/62/505979062.db2.gz YXZWYXBFABWLLL-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000301428158 498104925 /nfs/dbraw/zinc/10/49/25/498104925.db2.gz DTVKOCXEBNFKEG-FQEVSTJZSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000292690284 498111378 /nfs/dbraw/zinc/11/13/78/498111378.db2.gz BJXDFZAOBVUOST-UHFFFAOYSA-N 1 2 361.833 3.237 20 5 FGBDLO O=C1CCCCN1CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285588113 498138218 /nfs/dbraw/zinc/13/82/18/498138218.db2.gz KQHBQVLCBYUUFE-UHFFFAOYSA-N 1 2 367.396 3.098 20 5 FGBDLO COc1cc(C[NH2+]Cc2c(F)cccc2SC)c([N+](=O)[O-])cc1O ZINC000285647971 498158761 /nfs/dbraw/zinc/15/87/61/498158761.db2.gz SGDLLNUWQXGSTL-UHFFFAOYSA-N 1 2 352.387 3.460 20 5 FGBDLO CCCCN(C)C(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285874476 498226556 /nfs/dbraw/zinc/22/65/56/498226556.db2.gz FIAYNSZNEDAXNX-UHFFFAOYSA-N 1 2 369.412 3.344 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293057875 498252956 /nfs/dbraw/zinc/25/29/56/498252956.db2.gz OSOZNYJIRDYPSY-SNVBAGLBSA-N 1 2 368.315 3.357 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289699039 498253723 /nfs/dbraw/zinc/25/37/23/498253723.db2.gz GYKPWNIGTJYSFF-GUYCJALGSA-N 1 2 357.414 3.469 20 5 FGBDLO O=[N+]([O-])c1cc(-c2nc(CCC3CCOCC3)no2)ccc1-n1cc[nH+]c1 ZINC000293089294 498263363 /nfs/dbraw/zinc/26/33/63/498263363.db2.gz DOVBSGNUABBZRI-UHFFFAOYSA-N 1 2 369.381 3.190 20 5 FGBDLO Cc1c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000281839538 498287426 /nfs/dbraw/zinc/28/74/26/498287426.db2.gz ALKLIEPCLVCZDW-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301850996 498293550 /nfs/dbraw/zinc/29/35/50/498293550.db2.gz PGRRCLMOQVUNKT-ZDUSSCGKSA-N 1 2 352.398 3.305 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000281884749 498304772 /nfs/dbraw/zinc/30/47/72/498304772.db2.gz DJCAPOWEWOFKLW-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893081 498315604 /nfs/dbraw/zinc/31/56/04/498315604.db2.gz WGSULGHZRZTTCB-UHFFFAOYSA-N 1 2 354.208 3.217 20 5 FGBDLO C[N@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000578796542 506022042 /nfs/dbraw/zinc/02/20/42/506022042.db2.gz IZDNBBJZXRTJJR-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000578796542 506022044 /nfs/dbraw/zinc/02/20/44/506022044.db2.gz IZDNBBJZXRTJJR-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027482 498374512 /nfs/dbraw/zinc/37/45/12/498374512.db2.gz QWTKFOURRGOEQU-CYBMUJFWSA-N 1 2 371.466 3.065 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)s1 ZINC000569817348 506023806 /nfs/dbraw/zinc/02/38/06/506023806.db2.gz VFDXMPNSLHLXTD-UHFFFAOYSA-N 1 2 361.467 3.242 20 5 FGBDLO Cc1cc(N2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000302491270 498492810 /nfs/dbraw/zinc/49/28/10/498492810.db2.gz KFFDRYFKBFOGEO-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000294052104 498574097 /nfs/dbraw/zinc/57/40/97/498574097.db2.gz JLMSSXLSZDKRKB-QGZVFWFLSA-N 1 2 371.441 3.285 20 5 FGBDLO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363061489 498629805 /nfs/dbraw/zinc/62/98/05/498629805.db2.gz QBAGQAYMMOVMKH-UHFFFAOYSA-N 1 2 374.828 3.384 20 5 FGBDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000332490996 498703148 /nfs/dbraw/zinc/70/31/48/498703148.db2.gz SBMNLRBAZRLUAF-UHFFFAOYSA-N 1 2 369.425 3.269 20 5 FGBDLO CC(C)(Cc1[nH]c2ccccc2[nH+]1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291025296 498762311 /nfs/dbraw/zinc/76/23/11/498762311.db2.gz DFRIWXIRLRIIBC-UHFFFAOYSA-N 1 2 357.414 3.454 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332724800 498776020 /nfs/dbraw/zinc/77/60/20/498776020.db2.gz YAZUQQMFMKAOAV-CYBMUJFWSA-N 1 2 356.426 3.142 20 5 FGBDLO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000327380119 498857517 /nfs/dbraw/zinc/85/75/17/498857517.db2.gz OFOFZYZAHMXINQ-BZNIZROVSA-N 1 2 364.398 3.303 20 5 FGBDLO CC(=O)c1cc(NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000283676192 498954442 /nfs/dbraw/zinc/95/44/42/498954442.db2.gz XECVQGRBDNDWCI-UHFFFAOYSA-N 1 2 369.421 3.242 20 5 FGBDLO Cc1cnc([C@@H]2CCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000366633748 499010926 /nfs/dbraw/zinc/01/09/26/499010926.db2.gz SOOISUNOCYIBHL-AWEZNQCLSA-N 1 2 360.439 3.186 20 5 FGBDLO Cc1cnc([C@@H]2CCCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000366633748 499010931 /nfs/dbraw/zinc/01/09/31/499010931.db2.gz SOOISUNOCYIBHL-AWEZNQCLSA-N 1 2 360.439 3.186 20 5 FGBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000369992979 499162728 /nfs/dbraw/zinc/16/27/28/499162728.db2.gz BTFWYLWQKLRDHP-SFHVURJKSA-N 1 2 373.363 3.186 20 5 FGBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000369992979 499162730 /nfs/dbraw/zinc/16/27/30/499162730.db2.gz BTFWYLWQKLRDHP-SFHVURJKSA-N 1 2 373.363 3.186 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1 ZINC000370851058 499261947 /nfs/dbraw/zinc/26/19/47/499261947.db2.gz ACRUYUFFIQWQHF-CQSZACIVSA-N 1 2 352.350 3.003 20 5 FGBDLO CSc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000370955383 499274345 /nfs/dbraw/zinc/27/43/45/499274345.db2.gz ZEDFNGAKEOCDGC-CYBMUJFWSA-N 1 2 360.439 3.129 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000371059663 499285019 /nfs/dbraw/zinc/28/50/19/499285019.db2.gz QKYLCDUBKBGHIE-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000371059663 499285021 /nfs/dbraw/zinc/28/50/21/499285021.db2.gz QKYLCDUBKBGHIE-ZDUSSCGKSA-N 1 2 365.231 3.428 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000371247034 499302313 /nfs/dbraw/zinc/30/23/13/499302313.db2.gz JOASYDDAFBWJOL-UHFFFAOYSA-N 1 2 351.366 3.344 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000369129420 499368483 /nfs/dbraw/zinc/36/84/83/499368483.db2.gz DUCYHTOHQHEZNA-CYBMUJFWSA-N 1 2 366.780 3.027 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC=C(c4cccnc4)CC3)n2)c1 ZINC000369377784 499397238 /nfs/dbraw/zinc/39/72/38/499397238.db2.gz CNZUFEXMFXMVOL-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC=C(c4cccnc4)CC3)n2)c1 ZINC000369377784 499397239 /nfs/dbraw/zinc/39/72/39/499397239.db2.gz CNZUFEXMFXMVOL-UHFFFAOYSA-N 1 2 363.377 3.329 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000372441475 499435139 /nfs/dbraw/zinc/43/51/39/499435139.db2.gz XIOIXLIEKRVAHU-ZDUSSCGKSA-N 1 2 354.410 3.136 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000372441475 499435142 /nfs/dbraw/zinc/43/51/42/499435142.db2.gz XIOIXLIEKRVAHU-ZDUSSCGKSA-N 1 2 354.410 3.136 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000375779273 499554959 /nfs/dbraw/zinc/55/49/59/499554959.db2.gz XCJMZJJXXLREMW-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000375779273 499554961 /nfs/dbraw/zinc/55/49/61/499554961.db2.gz XCJMZJJXXLREMW-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000377096899 499661851 /nfs/dbraw/zinc/66/18/51/499661851.db2.gz HGXDVHZYUCWZGT-UHFFFAOYSA-N 1 2 369.421 3.003 20 5 FGBDLO CC(C)Oc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000411240216 499716156 /nfs/dbraw/zinc/71/61/56/499716156.db2.gz HDFKYYFGKFUBSA-UHFFFAOYSA-N 1 2 368.393 3.002 20 5 FGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000412665250 499873712 /nfs/dbraw/zinc/87/37/12/499873712.db2.gz XMEJWEGRSSUKCO-SNVBAGLBSA-N 1 2 356.304 3.099 20 5 FGBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412673005 499874596 /nfs/dbraw/zinc/87/45/96/499874596.db2.gz MPKAFLYTJZBYPF-SNVBAGLBSA-N 1 2 356.304 3.099 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000413263490 499933860 /nfs/dbraw/zinc/93/38/60/499933860.db2.gz LISISEWQVLRNMY-RISCZKNCSA-N 1 2 355.316 3.283 20 5 FGBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000413535028 499983756 /nfs/dbraw/zinc/98/37/56/499983756.db2.gz POHCYWYYFDQIBO-GFCCVEGCSA-N 1 2 361.364 3.427 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421318068 500016427 /nfs/dbraw/zinc/01/64/27/500016427.db2.gz BQUSOBKDQCLJEL-UHFFFAOYSA-N 1 2 371.462 3.492 20 5 FGBDLO O=C(NC[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421583985 500086925 /nfs/dbraw/zinc/08/69/25/500086925.db2.gz AHICMZZXKPWVEO-CQSZACIVSA-N 1 2 372.450 3.044 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425510582 500128781 /nfs/dbraw/zinc/12/87/81/500128781.db2.gz MXCPJXFYLFGKET-CIISACIHSA-N 1 2 362.332 3.458 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425510582 500128782 /nfs/dbraw/zinc/12/87/82/500128782.db2.gz MXCPJXFYLFGKET-CIISACIHSA-N 1 2 362.332 3.458 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000430202647 500208103 /nfs/dbraw/zinc/20/81/03/500208103.db2.gz MRAZHJDGHVPUPP-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(c2ccccc2)C1=O ZINC000430202647 500208104 /nfs/dbraw/zinc/20/81/04/500208104.db2.gz MRAZHJDGHVPUPP-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213311 500210170 /nfs/dbraw/zinc/21/01/70/500210170.db2.gz BEWMGESKFJYYMJ-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213311 500210172 /nfs/dbraw/zinc/21/01/72/500210172.db2.gz BEWMGESKFJYYMJ-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CCc1nc(C)c(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)o1 ZINC000426332894 500261680 /nfs/dbraw/zinc/26/16/80/500261680.db2.gz XMPNZHPQZLPYQV-KRWDZBQOSA-N 1 2 355.398 3.066 20 5 FGBDLO C[C@@H](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000579481124 506185987 /nfs/dbraw/zinc/18/59/87/506185987.db2.gz UOGSGTWDGJOIFR-JTQLQIEISA-N 1 2 356.304 3.078 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428343009 500498591 /nfs/dbraw/zinc/49/85/91/500498591.db2.gz DAVKANGZXVMPPE-GFCCVEGCSA-N 1 2 360.439 3.037 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000432323381 500498959 /nfs/dbraw/zinc/49/89/59/500498959.db2.gz QFIDRZHHZFHPAL-GFCCVEGCSA-N 1 2 362.817 3.480 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428365267 500500739 /nfs/dbraw/zinc/50/07/39/500500739.db2.gz UPEISEQDQOHPRJ-CYBMUJFWSA-N 1 2 374.466 3.428 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436971010 500582695 /nfs/dbraw/zinc/58/26/95/500582695.db2.gz HEAHRNKZWBYAHD-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000436971010 500582699 /nfs/dbraw/zinc/58/26/99/500582699.db2.gz HEAHRNKZWBYAHD-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000447594111 500631196 /nfs/dbraw/zinc/63/11/96/500631196.db2.gz WYMGZLKBIGMXAL-HOTGVXAUSA-N 1 2 356.430 3.382 20 5 FGBDLO Cc1cc(N2CCCC[C@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447811620 500667338 /nfs/dbraw/zinc/66/73/38/500667338.db2.gz OFOABABUNMVTMC-YOEHRIQHSA-N 1 2 356.426 3.490 20 5 FGBDLO CC1(C)C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000447816075 500668898 /nfs/dbraw/zinc/66/88/98/500668898.db2.gz HTEVPGYTWXPRMJ-KRWDZBQOSA-N 1 2 363.458 3.185 20 5 FGBDLO COCc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447817488 500669029 /nfs/dbraw/zinc/66/90/29/500669029.db2.gz QMGQLKBFZLDLGV-UHFFFAOYSA-N 1 2 371.437 3.186 20 5 FGBDLO CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000443108424 500680895 /nfs/dbraw/zinc/68/08/95/500680895.db2.gz ITORZWQAPVWUDD-GFCCVEGCSA-N 1 2 357.395 3.323 20 5 FGBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccoc1 ZINC000434813084 500898320 /nfs/dbraw/zinc/89/83/20/500898320.db2.gz GSTWPRRAEADMMW-UHFFFAOYSA-N 1 2 372.406 3.382 20 5 FGBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccoc1 ZINC000434813084 500898322 /nfs/dbraw/zinc/89/83/22/500898322.db2.gz GSTWPRRAEADMMW-UHFFFAOYSA-N 1 2 372.406 3.382 20 5 FGBDLO CCc1cc(N[C@H]2CC23CCOCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450795998 501210144 /nfs/dbraw/zinc/21/01/44/501210144.db2.gz PNCVPFPAQPTGLG-INIZCTEOSA-N 1 2 354.410 3.017 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436869676 501224497 /nfs/dbraw/zinc/22/44/97/501224497.db2.gz KDTHLUNVNAHFCE-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436869676 501224498 /nfs/dbraw/zinc/22/44/98/501224498.db2.gz KDTHLUNVNAHFCE-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO CCC[C@@]1(COC)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451230748 501253725 /nfs/dbraw/zinc/25/37/25/501253725.db2.gz RGCQELOVDSGCAO-IBGZPJMESA-N 1 2 372.425 3.202 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1C(F)F ZINC000451473560 501300885 /nfs/dbraw/zinc/30/08/85/501300885.db2.gz ONQDCWUEHKJAQL-CYBMUJFWSA-N 1 2 350.325 3.040 20 5 FGBDLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451554488 501322528 /nfs/dbraw/zinc/32/25/28/501322528.db2.gz ZZSLILIAIIGLSW-CQSZACIVSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451554488 501322532 /nfs/dbraw/zinc/32/25/32/501322532.db2.gz ZZSLILIAIIGLSW-CQSZACIVSA-N 1 2 360.439 3.178 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000611682101 506255636 /nfs/dbraw/zinc/25/56/36/506255636.db2.gz ANXKPUYCJRJSMZ-CQSZACIVSA-N 1 2 369.190 3.320 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000452840448 501572141 /nfs/dbraw/zinc/57/21/41/501572141.db2.gz GCLTUUJUJKNTIR-KRWDZBQOSA-N 1 2 372.425 3.015 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2[nH+]ccn21 ZINC000459111054 501595629 /nfs/dbraw/zinc/59/56/29/501595629.db2.gz LTMIVQLDEFONRB-LRDDRELGSA-N 1 2 355.398 3.171 20 5 FGBDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000459625908 501689158 /nfs/dbraw/zinc/68/91/58/501689158.db2.gz ZGZHZPYVIUUDBZ-UHFFFAOYSA-N 1 2 354.366 3.150 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459641489 501691880 /nfs/dbraw/zinc/69/18/80/501691880.db2.gz YLWKEJJBULFLAD-LLVKDONJSA-N 1 2 360.439 3.138 20 5 FGBDLO O=C(COc1ccccc1[N+](=O)[O-])N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000485279466 501775552 /nfs/dbraw/zinc/77/55/52/501775552.db2.gz UDKBHOPHJGSVRM-UHFFFAOYSA-N 1 2 370.340 3.069 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccc1 ZINC000474374238 501810671 /nfs/dbraw/zinc/81/06/71/501810671.db2.gz ISLFMBHNCAYEKA-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccc1 ZINC000474374238 501810674 /nfs/dbraw/zinc/81/06/74/501810674.db2.gz ISLFMBHNCAYEKA-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO C[C@](CO)([NH2+]Cc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602730363 506276995 /nfs/dbraw/zinc/27/69/95/506276995.db2.gz BFQQUSTYXDFQGB-OAHLLOKOSA-N 1 2 355.316 3.006 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485550593 501857564 /nfs/dbraw/zinc/85/75/64/501857564.db2.gz WGCIUABTSHQAIP-UHFFFAOYSA-N 1 2 356.201 3.050 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936238 501861506 /nfs/dbraw/zinc/86/15/06/501861506.db2.gz ZDCLBNGEZQLMRR-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936238 501861510 /nfs/dbraw/zinc/86/15/10/501861510.db2.gz ZDCLBNGEZQLMRR-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950710 501868081 /nfs/dbraw/zinc/86/80/81/501868081.db2.gz VGGIYWUUJVTXRY-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950710 501868089 /nfs/dbraw/zinc/86/80/89/501868089.db2.gz VGGIYWUUJVTXRY-BXKDBHETSA-N 1 2 356.304 3.418 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000596158461 506286661 /nfs/dbraw/zinc/28/66/61/506286661.db2.gz DNDDUWXEBHYLIV-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000596158461 506286665 /nfs/dbraw/zinc/28/66/65/506286665.db2.gz DNDDUWXEBHYLIV-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO CCCCNC(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599036483 506289243 /nfs/dbraw/zinc/28/92/43/506289243.db2.gz SJGHRXSDCONMHP-HNNXBMFYSA-N 1 2 356.426 3.276 20 5 FGBDLO C[N@@H+]1CCc2nc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)sc2C1 ZINC000602764180 506290662 /nfs/dbraw/zinc/29/06/62/506290662.db2.gz UFBKGBPATGEVSN-UHFFFAOYSA-N 1 2 372.450 3.100 20 5 FGBDLO C[N@H+]1CCc2nc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)sc2C1 ZINC000602764180 506290666 /nfs/dbraw/zinc/29/06/66/506290666.db2.gz UFBKGBPATGEVSN-UHFFFAOYSA-N 1 2 372.450 3.100 20 5 FGBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000599069952 506308048 /nfs/dbraw/zinc/30/80/48/506308048.db2.gz DFGYRDNESWUZJY-LPMFXHHGSA-N 1 2 357.410 3.306 20 5 FGBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000469282907 502360907 /nfs/dbraw/zinc/36/09/07/502360907.db2.gz ZOIOXZYTDYUGNH-UHFFFAOYSA-N 1 2 372.406 3.001 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)C2 ZINC000476278826 502441385 /nfs/dbraw/zinc/44/13/85/502441385.db2.gz RUUZLLSQSUAXRG-CQSZACIVSA-N 1 2 368.437 3.131 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC000476278826 502441389 /nfs/dbraw/zinc/44/13/89/502441389.db2.gz RUUZLLSQSUAXRG-CQSZACIVSA-N 1 2 368.437 3.131 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000487522592 502467221 /nfs/dbraw/zinc/46/72/21/502467221.db2.gz FINOFPJXTMWCKS-QGZVFWFLSA-N 1 2 355.438 3.352 20 5 FGBDLO CS(=O)(=O)CC1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599087132 506318031 /nfs/dbraw/zinc/31/80/31/506318031.db2.gz UWQAEKPDBVARNN-UHFFFAOYSA-N 1 2 363.439 3.158 20 5 FGBDLO Cc1ccn2cc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)[nH+]c2c1 ZINC000466227438 502510498 /nfs/dbraw/zinc/51/04/98/502510498.db2.gz ROUAOEOIQSWZOY-UHFFFAOYSA-N 1 2 373.800 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)(F)F)CC2 ZINC000469728582 502520027 /nfs/dbraw/zinc/52/00/27/502520027.db2.gz LVAGVNCXDTXTQN-UHFFFAOYSA-N 1 2 354.275 3.167 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC(F)(F)C(F)(F)F)CC2 ZINC000469728582 502520030 /nfs/dbraw/zinc/52/00/30/502520030.db2.gz LVAGVNCXDTXTQN-UHFFFAOYSA-N 1 2 354.275 3.167 20 5 FGBDLO Cc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480394205 502557016 /nfs/dbraw/zinc/55/70/16/502557016.db2.gz NRCFNTFPWHADBV-GUYCJALGSA-N 1 2 354.410 3.364 20 5 FGBDLO COC(=O)[C@]12CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000599100284 506322512 /nfs/dbraw/zinc/32/25/12/506322512.db2.gz LSPAEJSPXFTXRQ-AUUYWEPGSA-N 1 2 355.394 3.313 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602856844 506329257 /nfs/dbraw/zinc/32/92/57/506329257.db2.gz SDHZDAHPQGLCMX-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602856844 506329265 /nfs/dbraw/zinc/32/92/65/506329265.db2.gz SDHZDAHPQGLCMX-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO CCC[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OCC ZINC000599118500 506329290 /nfs/dbraw/zinc/32/92/90/506329290.db2.gz HZTDCEYTUMENIX-INIZCTEOSA-N 1 2 351.447 3.044 20 5 FGBDLO CCc1cc(NCCc2c(C)n[nH]c2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596261684 506332147 /nfs/dbraw/zinc/33/21/47/506332147.db2.gz TZVXJLXPBRIQRS-UHFFFAOYSA-N 1 2 366.425 3.031 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000474142427 502814872 /nfs/dbraw/zinc/81/48/72/502814872.db2.gz OPXFUCNJYGSDFV-UHFFFAOYSA-N 1 2 374.485 3.040 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000500678539 502837973 /nfs/dbraw/zinc/83/79/73/502837973.db2.gz LATVDTWMXTWLSG-UHFFFAOYSA-N 1 2 366.377 3.007 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000513154692 502866047 /nfs/dbraw/zinc/86/60/47/502866047.db2.gz QUOCPIIPOICUTP-MRXNPFEDSA-N 1 2 352.387 3.364 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513673901 502997390 /nfs/dbraw/zinc/99/73/90/502997390.db2.gz ZLQGYLKJYPCGPI-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000506124220 503053318 /nfs/dbraw/zinc/05/33/18/503053318.db2.gz GCZVCEUWVHZCRH-SFHVURJKSA-N 1 2 368.437 3.203 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000506124220 503053322 /nfs/dbraw/zinc/05/33/22/503053322.db2.gz GCZVCEUWVHZCRH-SFHVURJKSA-N 1 2 368.437 3.203 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000498750482 503256437 /nfs/dbraw/zinc/25/64/37/503256437.db2.gz IAFRXGCLVGSNBD-JLZZUVOBSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000498750482 503256440 /nfs/dbraw/zinc/25/64/40/503256440.db2.gz IAFRXGCLVGSNBD-JLZZUVOBSA-N 1 2 354.834 3.000 20 5 FGBDLO Cn1c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000511121076 503260539 /nfs/dbraw/zinc/26/05/39/503260539.db2.gz JXOAAXMNBWNQDC-UHFFFAOYSA-N 1 2 351.410 3.065 20 5 FGBDLO Cn1c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000511121076 503260545 /nfs/dbraw/zinc/26/05/45/503260545.db2.gz JXOAAXMNBWNQDC-UHFFFAOYSA-N 1 2 351.410 3.065 20 5 FGBDLO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000498793392 503264771 /nfs/dbraw/zinc/26/47/71/503264771.db2.gz QSIDSADUGCLVFX-CKEIUWERSA-N 1 2 366.421 3.040 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491195824 503283880 /nfs/dbraw/zinc/28/38/80/503283880.db2.gz ZLUIVGLOADLACL-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491195824 503283882 /nfs/dbraw/zinc/28/38/82/503283882.db2.gz ZLUIVGLOADLACL-UHFFFAOYSA-N 1 2 357.385 3.082 20 5 FGBDLO Cc1cc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491268934 503291471 /nfs/dbraw/zinc/29/14/71/503291471.db2.gz WUQOWGKDJKXDAN-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491268934 503291472 /nfs/dbraw/zinc/29/14/72/503291472.db2.gz WUQOWGKDJKXDAN-IBGZPJMESA-N 1 2 360.385 3.495 20 5 FGBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000507604460 503330460 /nfs/dbraw/zinc/33/04/60/503330460.db2.gz IBXHEPAWRNQLHC-UHFFFAOYSA-N 1 2 355.398 3.083 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649179 503361599 /nfs/dbraw/zinc/36/15/99/503361599.db2.gz PAXNGDLXDUGAOI-ONGXEEELSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649179 503361604 /nfs/dbraw/zinc/36/16/04/503361604.db2.gz PAXNGDLXDUGAOI-ONGXEEELSA-N 1 2 352.740 3.241 20 5 FGBDLO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493279477 503417459 /nfs/dbraw/zinc/41/74/59/503417459.db2.gz YPSFLAVYGHUBLU-GOSISDBHSA-N 1 2 350.378 3.108 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000499963166 503522970 /nfs/dbraw/zinc/52/29/70/503522970.db2.gz IGYRDJWMSROHEP-ZDUSSCGKSA-N 1 2 354.765 3.219 20 5 FGBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494631096 503578001 /nfs/dbraw/zinc/57/80/01/503578001.db2.gz BHZAAZSBXRAKRK-OAHLLOKOSA-N 1 2 359.407 3.443 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000509006174 503617411 /nfs/dbraw/zinc/61/74/11/503617411.db2.gz IATFCHKGRLUXFZ-DGCLKSJQSA-N 1 2 358.410 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000509006174 503617414 /nfs/dbraw/zinc/61/74/14/503617414.db2.gz IATFCHKGRLUXFZ-DGCLKSJQSA-N 1 2 358.410 3.360 20 5 FGBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCC1CCCCC1 ZINC000509020732 503622302 /nfs/dbraw/zinc/62/23/02/503622302.db2.gz CWKINDZNVYWDRO-UHFFFAOYSA-N 1 2 369.412 3.438 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000536663265 503667829 /nfs/dbraw/zinc/66/78/29/503667829.db2.gz AWVJWIUGYYMFTD-SPSFWMDKSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000536663265 503667836 /nfs/dbraw/zinc/66/78/36/503667836.db2.gz AWVJWIUGYYMFTD-SPSFWMDKSA-N 1 2 350.465 3.276 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532979261 503685301 /nfs/dbraw/zinc/68/53/01/503685301.db2.gz XJPGLYKXPOAQSA-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000532979261 503685302 /nfs/dbraw/zinc/68/53/02/503685302.db2.gz XJPGLYKXPOAQSA-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCc1ccc([C@H](NCCC[NH+]2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543404851 503756151 /nfs/dbraw/zinc/75/61/51/503756151.db2.gz PEJFRCPMCGGVMJ-HXUWFJFHSA-N 1 2 373.453 3.152 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424125 503764368 /nfs/dbraw/zinc/76/43/68/503764368.db2.gz MBUXLWWLDUCJKO-XOBRGWDASA-N 1 2 369.421 3.193 20 5 FGBDLO O=c1[nH]c2ccccc2n1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000533346078 503813984 /nfs/dbraw/zinc/81/39/84/503813984.db2.gz VBJNMGUQUSMHFR-UHFFFAOYSA-N 1 2 352.394 3.099 20 5 FGBDLO O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000533346078 503813988 /nfs/dbraw/zinc/81/39/88/503813988.db2.gz VBJNMGUQUSMHFR-UHFFFAOYSA-N 1 2 352.394 3.099 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000540587889 503824224 /nfs/dbraw/zinc/82/42/24/503824224.db2.gz WGXHAAIISVZDMJ-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000540587889 503824228 /nfs/dbraw/zinc/82/42/28/503824228.db2.gz WGXHAAIISVZDMJ-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC(C)c1nnc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000540609976 503833442 /nfs/dbraw/zinc/83/34/42/503833442.db2.gz FLSZWIKJXAELBG-UHFFFAOYSA-N 1 2 372.454 3.260 20 5 FGBDLO Cc1cccn2cc(CC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c12 ZINC000533472083 503857204 /nfs/dbraw/zinc/85/72/04/503857204.db2.gz HVOQTFIMXLTGJE-UHFFFAOYSA-N 1 2 364.405 3.285 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000541089141 504003510 /nfs/dbraw/zinc/00/35/10/504003510.db2.gz KKPRMHVCOMXLLF-UHFFFAOYSA-N 1 2 367.331 3.039 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282336 504073022 /nfs/dbraw/zinc/07/30/22/504073022.db2.gz MAWHNAZLINMMJN-QWHCGFSZSA-N 1 2 366.364 3.306 20 5 FGBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282336 504073029 /nfs/dbraw/zinc/07/30/29/504073029.db2.gz MAWHNAZLINMMJN-QWHCGFSZSA-N 1 2 366.364 3.306 20 5 FGBDLO CCc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000530830541 504099919 /nfs/dbraw/zinc/09/99/19/504099919.db2.gz JGYGWJBGITUAHC-SFHVURJKSA-N 1 2 364.405 3.410 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000538585284 504293306 /nfs/dbraw/zinc/29/33/06/504293306.db2.gz CVTPKGSXQRPCAN-UHFFFAOYSA-N 1 2 363.483 3.407 20 5 FGBDLO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000531459545 504314276 /nfs/dbraw/zinc/31/42/76/504314276.db2.gz CNIBZDNSAHNUAA-CQSZACIVSA-N 1 2 352.394 3.279 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000545502876 504507809 /nfs/dbraw/zinc/50/78/09/504507809.db2.gz JFFNIAWESHYJFD-ZDUSSCGKSA-N 1 2 352.394 3.384 20 5 FGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000535748336 504529313 /nfs/dbraw/zinc/52/93/13/504529313.db2.gz IKWKOHGVBLFCAO-UHFFFAOYSA-N 1 2 361.423 3.019 20 5 FGBDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543052372 504705726 /nfs/dbraw/zinc/70/57/26/504705726.db2.gz MFNCUCYOCGMLPZ-GFCCVEGCSA-N 1 2 353.382 3.453 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCCn1cc[nH+]c1 ZINC000556092251 504794523 /nfs/dbraw/zinc/79/45/23/504794523.db2.gz ZXQCPAZUVBOIQH-UHFFFAOYSA-N 1 2 352.778 3.124 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000559186094 504798360 /nfs/dbraw/zinc/79/83/60/504798360.db2.gz LJYYGYFBXYPIBF-RDJZCZTQSA-N 1 2 350.321 3.198 20 5 FGBDLO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000559243471 504806790 /nfs/dbraw/zinc/80/67/90/504806790.db2.gz IXUBRFVEXZUOHJ-UHFFFAOYSA-N 1 2 350.415 3.102 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000562472924 504831342 /nfs/dbraw/zinc/83/13/42/504831342.db2.gz MRZIGDPVNLHCGB-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccc2n1C ZINC000559327922 504835515 /nfs/dbraw/zinc/83/55/15/504835515.db2.gz QKESYBYTPFHBLT-UHFFFAOYSA-N 1 2 354.366 3.116 20 5 FGBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000549612832 504859381 /nfs/dbraw/zinc/85/93/81/504859381.db2.gz CZZWXLOTJLGXFO-INIZCTEOSA-N 1 2 374.441 3.426 20 5 FGBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000549612832 504859385 /nfs/dbraw/zinc/85/93/85/504859385.db2.gz CZZWXLOTJLGXFO-INIZCTEOSA-N 1 2 374.441 3.426 20 5 FGBDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000553311538 504879930 /nfs/dbraw/zinc/87/99/30/504879930.db2.gz CQFPAWSTTQEFKD-AWEZNQCLSA-N 1 2 350.378 3.331 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000560170359 505010322 /nfs/dbraw/zinc/01/03/22/505010322.db2.gz KXKGYMUTZCIWAL-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000560170359 505010327 /nfs/dbraw/zinc/01/03/27/505010327.db2.gz KXKGYMUTZCIWAL-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560515224 505110612 /nfs/dbraw/zinc/11/06/12/505110612.db2.gz AQQHTQZDJZSTRE-WKILWMFISA-N 1 2 354.410 3.072 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)(c4cccnc4)CC3)nc2c1 ZINC000551748202 505297429 /nfs/dbraw/zinc/29/74/29/505297429.db2.gz LWSZQQOWCNGDTG-UHFFFAOYSA-N 1 2 355.373 3.327 20 5 FGBDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558408366 505380233 /nfs/dbraw/zinc/38/02/33/505380233.db2.gz HEOAQOGADKTRKT-CYBMUJFWSA-N 1 2 353.382 3.014 20 5 FGBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)C(F)(F)F ZINC000558422135 505384912 /nfs/dbraw/zinc/38/49/12/505384912.db2.gz KXFATXFMCWIZTK-GFCCVEGCSA-N 1 2 361.345 3.073 20 5 FGBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)C(F)(F)F ZINC000558422135 505384914 /nfs/dbraw/zinc/38/49/14/505384914.db2.gz KXFATXFMCWIZTK-GFCCVEGCSA-N 1 2 361.345 3.073 20 5 FGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115613 506401903 /nfs/dbraw/zinc/40/19/03/506401903.db2.gz GSUFMMMQRINHJC-ZDUSSCGKSA-N 1 2 357.385 3.334 20 5 FGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115613 506401909 /nfs/dbraw/zinc/40/19/09/506401909.db2.gz GSUFMMMQRINHJC-ZDUSSCGKSA-N 1 2 357.385 3.334 20 5 FGBDLO Cc1cc(N2CCC[C@H](C)[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596440600 506405527 /nfs/dbraw/zinc/40/55/27/506405527.db2.gz DOBDVNCVCGQGPN-GUYCJALGSA-N 1 2 356.426 3.348 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]21 ZINC000599657227 506558618 /nfs/dbraw/zinc/55/86/18/506558618.db2.gz XMUXHYCBQSSFGV-HWWQOWPSSA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]21 ZINC000599657227 506558620 /nfs/dbraw/zinc/55/86/20/506558620.db2.gz XMUXHYCBQSSFGV-HWWQOWPSSA-N 1 2 354.353 3.037 20 5 FGBDLO Cc1noc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000599680142 506576380 /nfs/dbraw/zinc/57/63/80/506576380.db2.gz JXTWIDNRYGTZRI-GFCCVEGCSA-N 1 2 360.197 3.411 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000603752467 506610840 /nfs/dbraw/zinc/61/08/40/506610840.db2.gz MEZZJTXFLPPZRA-AWEZNQCLSA-N 1 2 360.370 3.048 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000593501784 506656376 /nfs/dbraw/zinc/65/63/76/506656376.db2.gz APFNJCQREMPHDS-OAHLLOKOSA-N 1 2 354.414 3.249 20 5 FGBDLO C[C@H](Cc1ccsc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604200516 506748822 /nfs/dbraw/zinc/74/88/22/506748822.db2.gz NQBNCOMSXHCKNB-GFCCVEGCSA-N 1 2 356.407 3.203 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131180 506786243 /nfs/dbraw/zinc/78/62/43/506786243.db2.gz JVJISPKGTGNDCI-DZGCQCFKSA-N 1 2 360.439 3.136 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000612990943 506852727 /nfs/dbraw/zinc/85/27/27/506852727.db2.gz KCMVMVUGUPWCQQ-YOFOWSBGSA-N 1 2 374.372 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000612990943 506852733 /nfs/dbraw/zinc/85/27/33/506852733.db2.gz KCMVMVUGUPWCQQ-YOFOWSBGSA-N 1 2 374.372 3.213 20 5 FGBDLO CC(C)(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019773 506867950 /nfs/dbraw/zinc/86/79/50/506867950.db2.gz VLXGIIXWDJKNDF-CQSZACIVSA-N 1 2 360.389 3.072 20 5 FGBDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(N)c([N+](=O)[O-])n4)C3)[nH+]c2c1 ZINC000590581388 506868367 /nfs/dbraw/zinc/86/83/67/506868367.db2.gz NDXYHAVUBBULFQ-LBPRGKRZSA-N 1 2 352.398 3.141 20 5 FGBDLO CSc1cccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000594361114 507092066 /nfs/dbraw/zinc/09/20/66/507092066.db2.gz WVMQULWJSSEINL-UHFFFAOYSA-N 1 2 373.425 3.024 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000591051115 507094669 /nfs/dbraw/zinc/09/46/69/507094669.db2.gz IVBCCUFFPBWEFY-OAHLLOKOSA-N 1 2 358.398 3.056 20 5 FGBDLO COC(=O)c1cc(-c2ccc([C@H]3CC(=O)CC[N@@H+]3C)cc2)cc([N+](=O)[O-])c1 ZINC000600787570 507121240 /nfs/dbraw/zinc/12/12/40/507121240.db2.gz AWWGUHCILUEHGN-LJQANCHMSA-N 1 2 368.389 3.384 20 5 FGBDLO COC(=O)c1cc(-c2ccc([C@H]3CC(=O)CC[N@H+]3C)cc2)cc([N+](=O)[O-])c1 ZINC000600787570 507121247 /nfs/dbraw/zinc/12/12/47/507121247.db2.gz AWWGUHCILUEHGN-LJQANCHMSA-N 1 2 368.389 3.384 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4nnc5n4CCC5)CC3)c2c1 ZINC000591140219 507130654 /nfs/dbraw/zinc/13/06/54/507130654.db2.gz BHINNMAFEMISBM-UHFFFAOYSA-N 1 2 364.409 3.065 20 5 FGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000597863213 507139024 /nfs/dbraw/zinc/13/90/24/507139024.db2.gz LAHNPFRPPMUSFW-ZIAGYGMSSA-N 1 2 371.441 3.072 20 5 FGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000597863213 507139032 /nfs/dbraw/zinc/13/90/32/507139032.db2.gz LAHNPFRPPMUSFW-ZIAGYGMSSA-N 1 2 371.441 3.072 20 5 FGBDLO O=C(Nc1cccc2[nH+]ccn21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610210484 507139217 /nfs/dbraw/zinc/13/92/17/507139217.db2.gz VRFJTVCPNDKTLT-UHFFFAOYSA-N 1 2 365.393 3.098 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000584121341 507164204 /nfs/dbraw/zinc/16/42/04/507164204.db2.gz IMWCSBJCRLRQNQ-CYBMUJFWSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000584121341 507164212 /nfs/dbraw/zinc/16/42/12/507164212.db2.gz IMWCSBJCRLRQNQ-CYBMUJFWSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304489 507185571 /nfs/dbraw/zinc/18/55/71/507185571.db2.gz KWIZRPKLIBBYEN-GOSISDBHSA-N 1 2 364.405 3.351 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C2CCC2)CC1 ZINC000597995738 507211788 /nfs/dbraw/zinc/21/17/88/507211788.db2.gz UCZRBCUQDIRLFF-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H](C)n4ncnc43)o2)c([N+](=O)[O-])c1 ZINC000594957978 507331506 /nfs/dbraw/zinc/33/15/06/507331506.db2.gz WNAOWCWDKSGJJZ-XHDPSFHLSA-N 1 2 369.381 3.251 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000595033651 507361612 /nfs/dbraw/zinc/36/16/12/507361612.db2.gz HEDODKCUMJPOOC-SNVBAGLBSA-N 1 2 358.320 3.213 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1OCC(F)F ZINC000595035166 507362433 /nfs/dbraw/zinc/36/24/33/507362433.db2.gz HCYDNYQGRQLCJD-LLVKDONJSA-N 1 2 367.352 3.493 20 5 FGBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC(F)CC1 ZINC000598366538 507394372 /nfs/dbraw/zinc/39/43/72/507394372.db2.gz LCTSSPGTPZOVSB-DNOWBOINSA-N 1 2 360.389 3.427 20 5 FGBDLO CC[C@@H](CC(F)F)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595299514 507452624 /nfs/dbraw/zinc/45/26/24/507452624.db2.gz SSAFCGYQSSUKBK-NSHDSACASA-N 1 2 361.414 3.096 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135207 507498255 /nfs/dbraw/zinc/49/82/55/507498255.db2.gz BVGCWFGLHZAGSX-GXTWGEPZSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)OC(C)(C)C ZINC000592135207 507498265 /nfs/dbraw/zinc/49/82/65/507498265.db2.gz BVGCWFGLHZAGSX-GXTWGEPZSA-N 1 2 374.441 3.271 20 5 FGBDLO COc1ccccc1C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000592142697 507505376 /nfs/dbraw/zinc/50/53/76/507505376.db2.gz AVXWQLJNODJGQZ-UHFFFAOYSA-N 1 2 356.378 3.249 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000611170690 507544686 /nfs/dbraw/zinc/54/46/86/507544686.db2.gz AHDCSZNGIUXVAA-IBGZPJMESA-N 1 2 353.378 3.247 20 5 FGBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222059 507568186 /nfs/dbraw/zinc/56/81/86/507568186.db2.gz IIHACORYDWVJPR-HZPDHXFCSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cccnc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000611222059 507568191 /nfs/dbraw/zinc/56/81/91/507568191.db2.gz IIHACORYDWVJPR-HZPDHXFCSA-N 1 2 362.817 3.127 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595816916 507699145 /nfs/dbraw/zinc/69/91/45/507699145.db2.gz ZGGAPRTVDXGNDN-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595816916 507699149 /nfs/dbraw/zinc/69/91/49/507699149.db2.gz ZGGAPRTVDXGNDN-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587050972 507705162 /nfs/dbraw/zinc/70/51/62/507705162.db2.gz GBNGOURUHVLAMA-LBPRGKRZSA-N 1 2 360.439 3.038 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000611515113 507715209 /nfs/dbraw/zinc/71/52/09/507715209.db2.gz YKCFCLWNNRFTAD-MRXNPFEDSA-N 1 2 360.458 3.188 20 5 FGBDLO Cc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)s1 ZINC000091754555 700424944 /nfs/dbraw/zinc/42/49/44/700424944.db2.gz IYVLVVKIZQEFHS-UHFFFAOYSA-N 1 2 358.379 3.211 20 5 FGBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000172180542 705409850 /nfs/dbraw/zinc/40/98/50/705409850.db2.gz ZKYOHZLMKDFJME-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000172180542 705409855 /nfs/dbraw/zinc/40/98/55/705409855.db2.gz ZKYOHZLMKDFJME-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnc1Cl ZINC000178062579 705651654 /nfs/dbraw/zinc/65/16/54/705651654.db2.gz OYPWKZDJRBAHQN-UHFFFAOYSA-N 1 2 357.757 3.390 20 5 FGBDLO CCc1oc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)OC ZINC000802646033 724395309 /nfs/dbraw/zinc/39/53/09/724395309.db2.gz KAEOMNDWPYFPMC-UHFFFAOYSA-N 1 2 352.774 3.480 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673413 722614058 /nfs/dbraw/zinc/61/40/58/722614058.db2.gz QVOIYIPVZZKRJN-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673413 722614060 /nfs/dbraw/zinc/61/40/60/722614060.db2.gz QVOIYIPVZZKRJN-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1Br ZINC000746716644 722616146 /nfs/dbraw/zinc/61/61/46/722616146.db2.gz PKRFIHTZUNOCNM-LBPRGKRZSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1Br ZINC000746716644 722616151 /nfs/dbraw/zinc/61/61/51/722616151.db2.gz PKRFIHTZUNOCNM-LBPRGKRZSA-N 1 2 351.204 3.001 20 5 FGBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793365589 723431002 /nfs/dbraw/zinc/43/10/02/723431002.db2.gz IQZBABHUEWDEOX-UHFFFAOYSA-N 1 2 370.833 3.040 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796544534 723642752 /nfs/dbraw/zinc/64/27/52/723642752.db2.gz BSSNMNQNAKNXGB-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000796544534 723642753 /nfs/dbraw/zinc/64/27/53/723642753.db2.gz BSSNMNQNAKNXGB-CQSZACIVSA-N 1 2 355.822 3.301 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769863118 723698057 /nfs/dbraw/zinc/69/80/57/723698057.db2.gz DSECKHMNAJGKQW-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769863118 723698059 /nfs/dbraw/zinc/69/80/59/723698059.db2.gz DSECKHMNAJGKQW-SECBINFHSA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@@H+]1CCOCC2(CCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775847378 724071352 /nfs/dbraw/zinc/07/13/52/724071352.db2.gz BEAJDDFCMWBDDH-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO O=C(C[N@H+]1CCOCC2(CCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775847378 724071358 /nfs/dbraw/zinc/07/13/58/724071358.db2.gz BEAJDDFCMWBDDH-UHFFFAOYSA-N 1 2 367.833 3.079 20 5 FGBDLO C[C@@]12CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(Cl)Cl ZINC000789487639 725131621 /nfs/dbraw/zinc/13/16/21/725131621.db2.gz PCQKUPNVJRPEEO-UONOGXRCSA-N 1 2 355.225 3.418 20 5 FGBDLO C[C@@]12CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(Cl)Cl ZINC000789487639 725131624 /nfs/dbraw/zinc/13/16/24/725131624.db2.gz PCQKUPNVJRPEEO-UONOGXRCSA-N 1 2 355.225 3.418 20 5 FGBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811802372 725380682 /nfs/dbraw/zinc/38/06/82/725380682.db2.gz XJCGBAQNAGRDBG-CQSZACIVSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811802372 725380683 /nfs/dbraw/zinc/38/06/83/725380683.db2.gz XJCGBAQNAGRDBG-CQSZACIVSA-N 1 2 360.805 3.007 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nc(Cl)cs1 ZINC000813172678 726845995 /nfs/dbraw/zinc/84/59/95/726845995.db2.gz QJPAHXVJSHYGKB-LBPRGKRZSA-N 1 2 367.814 3.136 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nc(Cl)cs1 ZINC000813172678 726845996 /nfs/dbraw/zinc/84/59/96/726845996.db2.gz QJPAHXVJSHYGKB-LBPRGKRZSA-N 1 2 367.814 3.136 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832343673 729706182 /nfs/dbraw/zinc/70/61/82/729706182.db2.gz IVDDUHOJMUSWLR-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832343673 729706185 /nfs/dbraw/zinc/70/61/85/729706185.db2.gz IVDDUHOJMUSWLR-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835206905 729867805 /nfs/dbraw/zinc/86/78/05/729867805.db2.gz VPJDALLLKCFQSX-JTQLQIEISA-N 1 2 356.165 3.131 20 5 FGBDLO O=C(OC[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835482950 729893592 /nfs/dbraw/zinc/89/35/92/729893592.db2.gz ZFBPBRPQSWJVHF-LBPRGKRZSA-N 1 2 351.309 3.373 20 5 FGBDLO CSc1cccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000842888735 730554079 /nfs/dbraw/zinc/55/40/79/730554079.db2.gz QEYIBXRBQFAOAL-UHFFFAOYSA-N 1 2 359.407 3.005 20 5 FGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851822924 731503443 /nfs/dbraw/zinc/50/34/43/731503443.db2.gz CMWRVYWFJSDGPW-UHFFFAOYSA-N 1 2 353.394 3.223 20 5 FGBDLO Cc1cc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CCOCC2)on1 ZINC000858325671 732203348 /nfs/dbraw/zinc/20/33/48/732203348.db2.gz HRTYCYZPISFKMG-UHFFFAOYSA-N 1 2 351.790 3.340 20 5 FGBDLO C[C@H]1C[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)C1(F)F ZINC000863272708 732936532 /nfs/dbraw/zinc/93/65/32/732936532.db2.gz CQOOBAZSXQKCEO-RYUDHWBXSA-N 1 2 351.357 3.034 20 5 FGBDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877831752 736733525 /nfs/dbraw/zinc/73/35/25/736733525.db2.gz YEZHWZLIPBCABG-JTQLQIEISA-N 1 2 360.332 3.245 20 5 FGBDLO CC(C)(C)S(=O)(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202147 736788192 /nfs/dbraw/zinc/78/81/92/736788192.db2.gz MYFGWHYYGVVAGR-UHFFFAOYSA-N 1 2 354.472 3.163 20 5 FGBDLO CC(C)(C)S(=O)(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202147 736788195 /nfs/dbraw/zinc/78/81/95/736788195.db2.gz MYFGWHYYGVVAGR-UHFFFAOYSA-N 1 2 354.472 3.163 20 5 FGBDLO COc1ccc(NC(=O)CC[N@H+](CC(F)F)C2CCC2)c([N+](=O)[O-])c1 ZINC000887100468 739329939 /nfs/dbraw/zinc/32/99/39/739329939.db2.gz BPJRAZAFRDRGDD-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc(NC(=O)CC[N@@H+](CC(F)F)C2CCC2)c([N+](=O)[O-])c1 ZINC000887100468 739329940 /nfs/dbraw/zinc/32/99/40/739329940.db2.gz BPJRAZAFRDRGDD-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO Cc1cn(C(C)(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000908075748 744258033 /nfs/dbraw/zinc/25/80/33/744258033.db2.gz LEXHYDYSGWLFKT-UHFFFAOYSA-N 1 2 367.203 3.236 20 5 FGBDLO CC(C)c1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927766256 760042223 /nfs/dbraw/zinc/04/22/23/760042223.db2.gz CPRFUJQWJMDMFF-UHFFFAOYSA-N 1 2 362.455 3.166 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000929853273 760470821 /nfs/dbraw/zinc/47/08/21/760470821.db2.gz ICSPRLXQOKGLEZ-KBPBESRZSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000929853273 760470835 /nfs/dbraw/zinc/47/08/35/760470835.db2.gz ICSPRLXQOKGLEZ-KBPBESRZSA-N 1 2 373.272 3.064 20 5 FGBDLO CCn1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000930658342 760665680 /nfs/dbraw/zinc/66/56/80/760665680.db2.gz YSTUYBJNPXVFGC-JTQLQIEISA-N 1 2 353.220 3.425 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533800628 503954625 /nfs/dbraw/zinc/95/46/25/503954625.db2.gz UBWWIYSEXWXCKM-HNNXBMFYSA-N 1 2 367.449 3.393 20 5 FGBDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533800628 503954629 /nfs/dbraw/zinc/95/46/29/503954629.db2.gz UBWWIYSEXWXCKM-HNNXBMFYSA-N 1 2 367.449 3.393 20 5 FGBDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000048021450 493775382 /nfs/dbraw/zinc/77/53/82/493775382.db2.gz CGRPCQTVUUMSMF-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986228 493805994 /nfs/dbraw/zinc/80/59/94/493805994.db2.gz DUNPHHHUBNMVDA-UHFFFAOYSA-N 1 2 363.805 3.145 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000029618653 493847566 /nfs/dbraw/zinc/84/75/66/493847566.db2.gz VJCJKNYJSFSBFH-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])cn21 ZINC000068772589 493870160 /nfs/dbraw/zinc/87/01/60/493870160.db2.gz ZOSKHJGBLLTHLK-UHFFFAOYSA-N 1 2 367.409 3.301 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031661697 493954448 /nfs/dbraw/zinc/95/44/48/493954448.db2.gz GGTNTABLFDYDFP-UHFFFAOYSA-N 1 2 351.366 3.161 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000076712508 493955731 /nfs/dbraw/zinc/95/57/31/493955731.db2.gz PLMFDKLLVFUUER-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000076712508 493955733 /nfs/dbraw/zinc/95/57/33/493955733.db2.gz PLMFDKLLVFUUER-AWEZNQCLSA-N 1 2 355.354 3.278 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051407700 493967812 /nfs/dbraw/zinc/96/78/12/493967812.db2.gz MIJXQVOIBLHVEL-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051407700 493967814 /nfs/dbraw/zinc/96/78/14/493967814.db2.gz MIJXQVOIBLHVEL-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO Cc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000032056304 493973094 /nfs/dbraw/zinc/97/30/94/493973094.db2.gz ISFZWIGDAUPTSN-UHFFFAOYSA-N 1 2 354.341 3.158 20 5 FGBDLO CCCCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000033245628 494053588 /nfs/dbraw/zinc/05/35/88/494053588.db2.gz YWBDMSNYLOJECB-UHFFFAOYSA-N 1 2 372.410 3.227 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000077446035 494085148 /nfs/dbraw/zinc/08/51/48/494085148.db2.gz OWEIBSHRVZSLHG-UHFFFAOYSA-N 1 2 351.366 3.317 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482696 494127599 /nfs/dbraw/zinc/12/75/99/494127599.db2.gz QGEBGIPHEHCTHX-KRWDZBQOSA-N 1 2 373.409 3.116 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482696 494127601 /nfs/dbraw/zinc/12/76/01/494127601.db2.gz QGEBGIPHEHCTHX-KRWDZBQOSA-N 1 2 373.409 3.116 20 5 FGBDLO CCc1cc(NC[C@@H](O)COCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064914572 494158711 /nfs/dbraw/zinc/15/87/11/494158711.db2.gz XSKXRLMBZCUHKB-QGZVFWFLSA-N 1 2 374.441 3.060 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814950 494169053 /nfs/dbraw/zinc/16/90/53/494169053.db2.gz MZKDSEDIZIKZJJ-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814950 494169058 /nfs/dbraw/zinc/16/90/58/494169058.db2.gz MZKDSEDIZIKZJJ-CQSZACIVSA-N 1 2 367.405 3.417 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000072529250 494194573 /nfs/dbraw/zinc/19/45/73/494194573.db2.gz LQVMDQRWIGETSZ-KRWDZBQOSA-N 1 2 364.405 3.351 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000054481243 494240017 /nfs/dbraw/zinc/24/00/17/494240017.db2.gz DGKXPMSCGVRJGB-UHFFFAOYSA-N 1 2 371.437 3.443 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605246 494251659 /nfs/dbraw/zinc/25/16/59/494251659.db2.gz DIRFSNIZPVQMFP-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605246 494251661 /nfs/dbraw/zinc/25/16/61/494251661.db2.gz DIRFSNIZPVQMFP-OAHLLOKOSA-N 1 2 353.422 3.000 20 5 FGBDLO Cc1c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000043347106 494289716 /nfs/dbraw/zinc/28/97/16/494289716.db2.gz CQHDQZVHDJPTDI-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO CN(CCc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055369130 494333244 /nfs/dbraw/zinc/33/32/44/494333244.db2.gz NYELZGRVKIJYEI-UHFFFAOYSA-N 1 2 368.368 3.234 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000016977565 494404767 /nfs/dbraw/zinc/40/47/67/494404767.db2.gz NWMXHHQQJZENCR-QGZVFWFLSA-N 1 2 368.368 3.295 20 5 FGBDLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000018236772 494430491 /nfs/dbraw/zinc/43/04/91/494430491.db2.gz LHKREABUKUBDBA-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000056895863 494589170 /nfs/dbraw/zinc/58/91/70/494589170.db2.gz RDXIOVGJPIOEIP-AWEZNQCLSA-N 1 2 365.393 3.341 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000131447507 494622950 /nfs/dbraw/zinc/62/29/50/494622950.db2.gz COCQUBYVEXYKHB-UHFFFAOYSA-N 1 2 361.361 3.443 20 5 FGBDLO CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000075295602 494720107 /nfs/dbraw/zinc/72/01/07/494720107.db2.gz NFAPRCSEFMKGPK-VQIMIIECSA-N 1 2 372.425 3.056 20 5 FGBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000126390229 494733719 /nfs/dbraw/zinc/73/37/19/494733719.db2.gz UDHDPACTYZUQFH-IBGZPJMESA-N 1 2 370.405 3.343 20 5 FGBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000126390229 494733733 /nfs/dbraw/zinc/73/37/33/494733733.db2.gz UDHDPACTYZUQFH-IBGZPJMESA-N 1 2 370.405 3.343 20 5 FGBDLO C[N@H+](CCOc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929716 494790284 /nfs/dbraw/zinc/79/02/84/494790284.db2.gz FMWVEHUTZVHZES-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929716 494790288 /nfs/dbraw/zinc/79/02/88/494790288.db2.gz FMWVEHUTZVHZES-UHFFFAOYSA-N 1 2 372.356 3.295 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646508 494809576 /nfs/dbraw/zinc/80/95/76/494809576.db2.gz RHOKLRQAKHUKJF-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126646508 494809583 /nfs/dbraw/zinc/80/95/83/494809583.db2.gz RHOKLRQAKHUKJF-CHWSQXEVSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000075650176 494810532 /nfs/dbraw/zinc/81/05/32/494810532.db2.gz CCLUWCZYKXPFDZ-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO C[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000116877413 494865467 /nfs/dbraw/zinc/86/54/67/494865467.db2.gz XOYCICHHUADUKG-CQSZACIVSA-N 1 2 359.451 3.218 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000577543265 505748399 /nfs/dbraw/zinc/74/83/99/505748399.db2.gz KWTGCYTWOJMSEN-QGZVFWFLSA-N 1 2 374.441 3.129 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121953012 494897651 /nfs/dbraw/zinc/89/76/51/494897651.db2.gz UQBLELPGWDLQHH-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000097466692 495035965 /nfs/dbraw/zinc/03/59/65/495035965.db2.gz DBNHMVJRCQXKRY-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000118849643 495047934 /nfs/dbraw/zinc/04/79/34/495047934.db2.gz SDSBTGIMINGNNB-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO C[S@@](=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119753713 495234092 /nfs/dbraw/zinc/23/40/92/495234092.db2.gz RLIFRGLOYSLSJC-WNSKOXEYSA-N 1 2 352.843 3.458 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112813281 495244173 /nfs/dbraw/zinc/24/41/73/495244173.db2.gz XYKQMKWAYCDAOD-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000135232373 495266647 /nfs/dbraw/zinc/26/66/47/495266647.db2.gz BTDSRMCWLYTMTD-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000135232373 495266648 /nfs/dbraw/zinc/26/66/48/495266648.db2.gz BTDSRMCWLYTMTD-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120834792 495467427 /nfs/dbraw/zinc/46/74/27/495467427.db2.gz IFTBXKNJHSAIAE-AWEZNQCLSA-N 1 2 355.398 3.007 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130973249 495474369 /nfs/dbraw/zinc/47/43/69/495474369.db2.gz VXJMQXWCZWJHKT-ZDUSSCGKSA-N 1 2 372.450 3.111 20 5 FGBDLO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccnc1 ZINC000125660223 495478301 /nfs/dbraw/zinc/47/83/01/495478301.db2.gz VWMPLGWLLFCKSI-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccnc1 ZINC000125660223 495478305 /nfs/dbraw/zinc/47/83/05/495478305.db2.gz VWMPLGWLLFCKSI-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140318091 495493855 /nfs/dbraw/zinc/49/38/55/495493855.db2.gz ZJDNKNBKHNYCKI-KRWDZBQOSA-N 1 2 370.409 3.082 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140318091 495493861 /nfs/dbraw/zinc/49/38/61/495493861.db2.gz ZJDNKNBKHNYCKI-KRWDZBQOSA-N 1 2 370.409 3.082 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000173466122 495542272 /nfs/dbraw/zinc/54/22/72/495542272.db2.gz QBXZERWPPOLROC-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000173466122 495542276 /nfs/dbraw/zinc/54/22/76/495542276.db2.gz QBXZERWPPOLROC-LBPRGKRZSA-N 1 2 371.422 3.393 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(C)noc1C ZINC000182416498 495555396 /nfs/dbraw/zinc/55/53/96/495555396.db2.gz BZBMMADNOIQMPC-CQSZACIVSA-N 1 2 357.370 3.491 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C)noc1C ZINC000182454000 495569188 /nfs/dbraw/zinc/56/91/88/495569188.db2.gz MDWIUTRBUZUHRP-CQSZACIVSA-N 1 2 357.370 3.491 20 5 FGBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000147483134 495576002 /nfs/dbraw/zinc/57/60/02/495576002.db2.gz FGQIFXGTJXJCJA-QGZVFWFLSA-N 1 2 350.378 3.156 20 5 FGBDLO CC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000154311435 495576255 /nfs/dbraw/zinc/57/62/55/495576255.db2.gz FBRSTQSRFMWGEN-ZWKOTPCHSA-N 1 2 370.409 3.304 20 5 FGBDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154392070 495602614 /nfs/dbraw/zinc/60/26/14/495602614.db2.gz NCIOVQOQHUBWOW-NSHDSACASA-N 1 2 361.345 3.236 20 5 FGBDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154392070 495602618 /nfs/dbraw/zinc/60/26/18/495602618.db2.gz NCIOVQOQHUBWOW-NSHDSACASA-N 1 2 361.345 3.236 20 5 FGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Cl)cn1 ZINC000179518446 495625002 /nfs/dbraw/zinc/62/50/02/495625002.db2.gz YFHPTJGAHOQVKD-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Cl)cn1 ZINC000179518446 495625005 /nfs/dbraw/zinc/62/50/05/495625005.db2.gz YFHPTJGAHOQVKD-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585845 495633110 /nfs/dbraw/zinc/63/31/10/495633110.db2.gz BJPNJPLYVCJJTC-HZMBPMFUSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185585845 495633114 /nfs/dbraw/zinc/63/31/14/495633114.db2.gz BJPNJPLYVCJJTC-HZMBPMFUSA-N 1 2 370.247 3.416 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150890626 495670574 /nfs/dbraw/zinc/67/05/74/495670574.db2.gz AIODPKHZBKKWFL-CYBMUJFWSA-N 1 2 353.382 3.035 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000176505424 495675889 /nfs/dbraw/zinc/67/58/89/495675889.db2.gz XMMAINHEHYRXFA-UHFFFAOYSA-N 1 2 364.405 3.354 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151103129 495738183 /nfs/dbraw/zinc/73/81/83/495738183.db2.gz PGTGGWMVNUNURP-UHFFFAOYSA-N 1 2 352.144 3.013 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000174160086 495842886 /nfs/dbraw/zinc/84/28/86/495842886.db2.gz CBJUWBMSPVKEQA-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000174160086 495842892 /nfs/dbraw/zinc/84/28/92/495842892.db2.gz CBJUWBMSPVKEQA-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1c(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000160451109 495966206 /nfs/dbraw/zinc/96/62/06/495966206.db2.gz LTPHDQYFTVUVLI-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000174476052 495976056 /nfs/dbraw/zinc/97/60/56/495976056.db2.gz MJKWMLVCFRGITH-INIZCTEOSA-N 1 2 362.382 3.094 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174834663 496126655 /nfs/dbraw/zinc/12/66/55/496126655.db2.gz DCJATOFQRKQESC-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO Cc1c(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000152432991 496149855 /nfs/dbraw/zinc/14/98/55/496149855.db2.gz ISKPFZIYHIUOAK-AWEZNQCLSA-N 1 2 357.414 3.123 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000183919865 496161629 /nfs/dbraw/zinc/16/16/29/496161629.db2.gz KIRQKTVIUYRZEX-HNNXBMFYSA-N 1 2 359.357 3.043 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000183919865 496161637 /nfs/dbraw/zinc/16/16/37/496161637.db2.gz KIRQKTVIUYRZEX-HNNXBMFYSA-N 1 2 359.357 3.043 20 5 FGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000183973326 496183881 /nfs/dbraw/zinc/18/38/81/496183881.db2.gz IHSVCJXZKXGDQP-UHFFFAOYSA-N 1 2 368.846 3.477 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000177824609 496211917 /nfs/dbraw/zinc/21/19/17/496211917.db2.gz WSJSYMIPLAIYSQ-VLIAUNLRSA-N 1 2 351.406 3.177 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000177824609 496211920 /nfs/dbraw/zinc/21/19/20/496211920.db2.gz WSJSYMIPLAIYSQ-VLIAUNLRSA-N 1 2 351.406 3.177 20 5 FGBDLO Cc1cnc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000177855308 496224624 /nfs/dbraw/zinc/22/46/24/496224624.db2.gz HXIIVFFNDDZNEH-NSHDSACASA-N 1 2 357.395 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000187014009 496251950 /nfs/dbraw/zinc/25/19/50/496251950.db2.gz IRKOSANKNXKKLX-AWEZNQCLSA-N 1 2 351.453 3.220 20 5 FGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000187014009 496251952 /nfs/dbraw/zinc/25/19/52/496251952.db2.gz IRKOSANKNXKKLX-AWEZNQCLSA-N 1 2 351.453 3.220 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000184233579 496297357 /nfs/dbraw/zinc/29/73/57/496297357.db2.gz VINMKXXRWVMRAI-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000184233579 496297362 /nfs/dbraw/zinc/29/73/62/496297362.db2.gz VINMKXXRWVMRAI-UHFFFAOYSA-N 1 2 364.373 3.392 20 5 FGBDLO Cc1cc(C)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C)[nH+]1 ZINC000153201088 496381556 /nfs/dbraw/zinc/38/15/56/496381556.db2.gz DXDSGGOAXRSVJH-UHFFFAOYSA-N 1 2 351.366 3.353 20 5 FGBDLO COc1cccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153302893 496414775 /nfs/dbraw/zinc/41/47/75/496414775.db2.gz FDJYKBXVWWLHIV-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO COc1cccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153302893 496414781 /nfs/dbraw/zinc/41/47/81/496414781.db2.gz FDJYKBXVWWLHIV-UHFFFAOYSA-N 1 2 355.394 3.207 20 5 FGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000172870811 496468838 /nfs/dbraw/zinc/46/88/38/496468838.db2.gz CUBIYIPWUCQBPH-UHFFFAOYSA-N 1 2 366.377 3.052 20 5 FGBDLO Cc1nc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)sc1C ZINC000157584008 496509330 /nfs/dbraw/zinc/50/93/30/496509330.db2.gz WXZVLGYUHFIAQW-UHFFFAOYSA-N 1 2 350.419 3.129 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000153887792 496613675 /nfs/dbraw/zinc/61/36/75/496613675.db2.gz MYHMZDOFNQTAQB-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000153887792 496613683 /nfs/dbraw/zinc/61/36/83/496613683.db2.gz MYHMZDOFNQTAQB-QGZVFWFLSA-N 1 2 370.409 3.164 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2nccs2)c([N+](=O)[O-])c1 ZINC000185109384 496664212 /nfs/dbraw/zinc/66/42/12/496664212.db2.gz WZPIGDYGPSGVKQ-LBPRGKRZSA-N 1 2 364.427 3.129 20 5 FGBDLO COc1ccc(OCC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000185159696 496685998 /nfs/dbraw/zinc/68/59/98/496685998.db2.gz ICBAJPXPCOLYEK-LLVKDONJSA-N 1 2 364.402 3.014 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182342329 496730407 /nfs/dbraw/zinc/73/04/07/496730407.db2.gz MKKIIJFWUZSFFJ-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182342329 496730408 /nfs/dbraw/zinc/73/04/08/496730408.db2.gz MKKIIJFWUZSFFJ-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO Cc1cc(NCc2nnc(C(C)C)n2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273298166 496767326 /nfs/dbraw/zinc/76/73/26/496767326.db2.gz GSHPFXCYSMDBHU-UHFFFAOYSA-N 1 2 367.413 3.224 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000264032529 496794532 /nfs/dbraw/zinc/79/45/32/496794532.db2.gz COCMKDFNOMPTRY-UHFFFAOYSA-N 1 2 371.441 3.176 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264316154 496870982 /nfs/dbraw/zinc/87/09/82/496870982.db2.gz ZVUNJEMROQIHNM-HNNXBMFYSA-N 1 2 369.421 3.169 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195351338 496898212 /nfs/dbraw/zinc/89/82/12/496898212.db2.gz MEUHUBALXWRIGI-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195351338 496898220 /nfs/dbraw/zinc/89/82/20/496898220.db2.gz MEUHUBALXWRIGI-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247696778 496907925 /nfs/dbraw/zinc/90/79/25/496907925.db2.gz UAQCADHDUJLMSU-OCCSQVGLSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247696778 496907929 /nfs/dbraw/zinc/90/79/29/496907929.db2.gz UAQCADHDUJLMSU-OCCSQVGLSA-N 1 2 369.849 3.322 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277990805 496962404 /nfs/dbraw/zinc/96/24/04/496962404.db2.gz HXIKYHHXSUHSHY-VKFONMJVSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277990805 496962409 /nfs/dbraw/zinc/96/24/09/496962409.db2.gz HXIKYHHXSUHSHY-VKFONMJVSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000278124020 497012481 /nfs/dbraw/zinc/01/24/81/497012481.db2.gz QQALKDHYVRJUDZ-CZUORRHYSA-N 1 2 370.365 3.317 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2c1 ZINC000278124020 497012485 /nfs/dbraw/zinc/01/24/85/497012485.db2.gz QQALKDHYVRJUDZ-CZUORRHYSA-N 1 2 370.365 3.317 20 5 FGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278422341 497108393 /nfs/dbraw/zinc/10/83/93/497108393.db2.gz IRFWLJMFJOAWGK-QMMMGPOBSA-N 1 2 365.262 3.341 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000192457356 497120853 /nfs/dbraw/zinc/12/08/53/497120853.db2.gz OVTHPCPQQLKUGR-UHFFFAOYSA-N 1 2 368.418 3.373 20 5 FGBDLO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1Oc1cc[nH+]cc1 ZINC000192589754 497157447 /nfs/dbraw/zinc/15/74/47/497157447.db2.gz BGAVIEZKBCQFDM-UHFFFAOYSA-N 1 2 353.338 3.076 20 5 FGBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000192606016 497162274 /nfs/dbraw/zinc/16/22/74/497162274.db2.gz MAPIDTCZTVVQJF-CYBMUJFWSA-N 1 2 358.398 3.003 20 5 FGBDLO COC(=O)c1ccc(OCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000192787197 497214000 /nfs/dbraw/zinc/21/40/00/497214000.db2.gz WTCRDRGYVDFMQA-UHFFFAOYSA-N 1 2 353.334 3.146 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000245432625 497403936 /nfs/dbraw/zinc/40/39/36/497403936.db2.gz OTDAFVKAXGSPEA-ORAYPTAESA-N 1 2 355.394 3.235 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000245432625 497403940 /nfs/dbraw/zinc/40/39/40/497403940.db2.gz OTDAFVKAXGSPEA-ORAYPTAESA-N 1 2 355.394 3.235 20 5 FGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000193787135 497480948 /nfs/dbraw/zinc/48/09/48/497480948.db2.gz ZOSQJMYSNPHJIQ-UHFFFAOYSA-N 1 2 370.365 3.020 20 5 FGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000193787135 497480952 /nfs/dbraw/zinc/48/09/52/497480952.db2.gz ZOSQJMYSNPHJIQ-UHFFFAOYSA-N 1 2 370.365 3.020 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC[C@H](C)C1 ZINC000190440438 497481686 /nfs/dbraw/zinc/48/16/86/497481686.db2.gz LUGQDKKNVDDQCC-MNOVXSKESA-N 1 2 357.863 3.260 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC[C@H](C)C1 ZINC000190440438 497481692 /nfs/dbraw/zinc/48/16/92/497481692.db2.gz LUGQDKKNVDDQCC-MNOVXSKESA-N 1 2 357.863 3.260 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245704598 497509488 /nfs/dbraw/zinc/50/94/88/497509488.db2.gz RPFZCOBXAVRCQU-DLBZAZTESA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245704598 497509493 /nfs/dbraw/zinc/50/94/93/497509493.db2.gz RPFZCOBXAVRCQU-DLBZAZTESA-N 1 2 361.348 3.048 20 5 FGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000245959452 497584658 /nfs/dbraw/zinc/58/46/58/497584658.db2.gz UNPKLOCRQBVZBS-GHMZBOCLSA-N 1 2 370.247 3.274 20 5 FGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000245959452 497584662 /nfs/dbraw/zinc/58/46/62/497584662.db2.gz UNPKLOCRQBVZBS-GHMZBOCLSA-N 1 2 370.247 3.274 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279955236 497600934 /nfs/dbraw/zinc/60/09/34/497600934.db2.gz XYFQWVXYVGEFTN-HNNXBMFYSA-N 1 2 364.442 3.152 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279955236 497600939 /nfs/dbraw/zinc/60/09/39/497600939.db2.gz XYFQWVXYVGEFTN-HNNXBMFYSA-N 1 2 364.442 3.152 20 5 FGBDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272528919 497653269 /nfs/dbraw/zinc/65/32/69/497653269.db2.gz MNYFGWBRWRHNTK-RBUKOAKNSA-N 1 2 366.421 3.049 20 5 FGBDLO CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246381781 497715116 /nfs/dbraw/zinc/71/51/16/497715116.db2.gz MWSMHNNGCZJQNI-OLZOCXBDSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246381781 497715114 /nfs/dbraw/zinc/71/51/14/497715114.db2.gz MWSMHNNGCZJQNI-OLZOCXBDSA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000572300870 505937014 /nfs/dbraw/zinc/93/70/14/505937014.db2.gz OXIGVIXFTPXOMH-ZDUSSCGKSA-N 1 2 374.828 3.380 20 5 FGBDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000572300870 505937017 /nfs/dbraw/zinc/93/70/17/505937017.db2.gz OXIGVIXFTPXOMH-ZDUSSCGKSA-N 1 2 374.828 3.380 20 5 FGBDLO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000280884702 497935023 /nfs/dbraw/zinc/93/50/23/497935023.db2.gz GJFJHKFVVRLZLC-ZDUSSCGKSA-N 1 2 357.410 3.160 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000301251605 498021818 /nfs/dbraw/zinc/02/18/18/498021818.db2.gz BQCYCNXFJLEKET-QPJJXVBHSA-N 1 2 358.829 3.479 20 5 FGBDLO Cc1cc(NC[C@](C)(O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301415838 498101078 /nfs/dbraw/zinc/10/10/78/498101078.db2.gz LVEQSWQIJZREDO-SFHVURJKSA-N 1 2 354.366 3.273 20 5 FGBDLO COc1ccc([C@H](Nc2ncc(C)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000301419209 498102953 /nfs/dbraw/zinc/10/29/53/498102953.db2.gz DCIONGOKPMCKJD-INIZCTEOSA-N 1 2 353.382 3.242 20 5 FGBDLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000292830813 498162486 /nfs/dbraw/zinc/16/24/86/498162486.db2.gz DPBJQJDNBPFCLR-ZDUSSCGKSA-N 1 2 353.220 3.332 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000281789732 498270830 /nfs/dbraw/zinc/27/08/30/498270830.db2.gz LXWCOXKZARGZAH-OAHLLOKOSA-N 1 2 358.398 3.187 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281877495 498301283 /nfs/dbraw/zinc/30/12/83/498301283.db2.gz CXTIVEVMGAOFCD-MRXNPFEDSA-N 1 2 368.437 3.076 20 5 FGBDLO CCC1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301874275 498306579 /nfs/dbraw/zinc/30/65/79/498306579.db2.gz GETMAAHIASUEPP-UHFFFAOYSA-N 1 2 356.426 3.349 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000361535208 498404694 /nfs/dbraw/zinc/40/46/94/498404694.db2.gz GNOCWVPTTYABCK-NSHDSACASA-N 1 2 362.336 3.123 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(F)c1 ZINC000286474384 498408994 /nfs/dbraw/zinc/40/89/94/498408994.db2.gz PKVXHMWLQFAAHB-OAHLLOKOSA-N 1 2 370.396 3.423 20 5 FGBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361613112 498412034 /nfs/dbraw/zinc/41/20/34/498412034.db2.gz JPSSHWBRCFUTDA-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282188134 498416604 /nfs/dbraw/zinc/41/66/04/498416604.db2.gz DWPYVIVFSPJLNR-CQSZACIVSA-N 1 2 354.410 3.147 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(Cl)ccc3Cl)CC2)n1 ZINC000365512691 498506229 /nfs/dbraw/zinc/50/62/29/498506229.db2.gz NDRAUVSFNGBXOC-UHFFFAOYSA-N 1 2 356.213 3.330 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282436161 498511150 /nfs/dbraw/zinc/51/11/50/498511150.db2.gz USJOUQSBERXNRZ-OAHLLOKOSA-N 1 2 354.410 3.147 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365677366 498593218 /nfs/dbraw/zinc/59/32/18/498593218.db2.gz YUXBHPFMKRGYHO-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO COc1cc[nH+]cc1COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000287215503 498676256 /nfs/dbraw/zinc/67/62/56/498676256.db2.gz OAVKCWFJJRTGRU-UHFFFAOYSA-N 1 2 364.379 3.086 20 5 FGBDLO NC(=O)c1ccnc(Nc2cccc([NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000290788351 498680512 /nfs/dbraw/zinc/68/05/12/498680512.db2.gz OAPFUBMZSBWNAE-UHFFFAOYSA-N 1 2 355.398 3.213 20 5 FGBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294410267 498686758 /nfs/dbraw/zinc/68/67/58/498686758.db2.gz AOWIAWYYUYJWQL-JTQLQIEISA-N 1 2 368.315 3.357 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282954591 498723698 /nfs/dbraw/zinc/72/36/98/498723698.db2.gz HNRMKGVWJGXGSP-CABCVRRESA-N 1 2 369.381 3.057 20 5 FGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282954591 498723701 /nfs/dbraw/zinc/72/37/01/498723701.db2.gz HNRMKGVWJGXGSP-CABCVRRESA-N 1 2 369.381 3.057 20 5 FGBDLO CCOC(=O)c1cc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000570109418 506092644 /nfs/dbraw/zinc/09/26/44/506092644.db2.gz IVRCVTKXPNIPKS-UHFFFAOYSA-N 1 2 354.366 3.302 20 5 FGBDLO CC(=O)c1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000283503309 498905518 /nfs/dbraw/zinc/90/55/18/498905518.db2.gz ITXYQGSMPILDKZ-CYBMUJFWSA-N 1 2 370.409 3.030 20 5 FGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693676 499038397 /nfs/dbraw/zinc/03/83/97/499038397.db2.gz YHVWMXSTQUKAPX-PBHICJAKSA-N 1 2 350.415 3.001 20 5 FGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291693676 499038401 /nfs/dbraw/zinc/03/84/01/499038401.db2.gz YHVWMXSTQUKAPX-PBHICJAKSA-N 1 2 350.415 3.001 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000369850157 499139009 /nfs/dbraw/zinc/13/90/09/499139009.db2.gz FJAONPZLOXEOJH-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000369850157 499139011 /nfs/dbraw/zinc/13/90/11/499139011.db2.gz FJAONPZLOXEOJH-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372910398 499193578 /nfs/dbraw/zinc/19/35/78/499193578.db2.gz YIIHMZMBLJRVJF-RDTXWAMCSA-N 1 2 351.410 3.413 20 5 FGBDLO Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000370267205 499204017 /nfs/dbraw/zinc/20/40/17/499204017.db2.gz CNMFKCRQASRWSD-HNNXBMFYSA-N 1 2 370.438 3.243 20 5 FGBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000370593203 499234297 /nfs/dbraw/zinc/23/42/97/499234297.db2.gz KDOPHOFQGULYOZ-UHFFFAOYSA-N 1 2 368.397 3.094 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370710808 499246871 /nfs/dbraw/zinc/24/68/71/499246871.db2.gz ZYVMYJXQBXOMEC-AWEZNQCLSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370710808 499246873 /nfs/dbraw/zinc/24/68/73/499246873.db2.gz ZYVMYJXQBXOMEC-AWEZNQCLSA-N 1 2 351.834 3.225 20 5 FGBDLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003432 499355873 /nfs/dbraw/zinc/35/58/73/499355873.db2.gz UXMJJEIVHXTSDJ-ZDUSSCGKSA-N 1 2 372.404 3.137 20 5 FGBDLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003432 499355874 /nfs/dbraw/zinc/35/58/74/499355874.db2.gz UXMJJEIVHXTSDJ-ZDUSSCGKSA-N 1 2 372.404 3.137 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)c1 ZINC000372281915 499416445 /nfs/dbraw/zinc/41/64/45/499416445.db2.gz KRNITPWBKBFCKE-CQSZACIVSA-N 1 2 359.411 3.345 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)c1 ZINC000372281915 499416447 /nfs/dbraw/zinc/41/64/47/499416447.db2.gz KRNITPWBKBFCKE-CQSZACIVSA-N 1 2 359.411 3.345 20 5 FGBDLO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cn2c([nH+]1)CCCC2 ZINC000372993640 499446629 /nfs/dbraw/zinc/44/66/29/499446629.db2.gz UNNMXUGEYXTJFO-UHFFFAOYSA-N 1 2 367.409 3.415 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000375257476 499499990 /nfs/dbraw/zinc/49/99/90/499499990.db2.gz FNHYISRHWBJOJZ-HLLBOEOZSA-N 1 2 368.437 3.248 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000376026516 499577213 /nfs/dbraw/zinc/57/72/13/499577213.db2.gz RTUYILUDPKIWHD-OAHLLOKOSA-N 1 2 370.453 3.247 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC2 ZINC000376026516 499577215 /nfs/dbraw/zinc/57/72/15/499577215.db2.gz RTUYILUDPKIWHD-OAHLLOKOSA-N 1 2 370.453 3.247 20 5 FGBDLO CSc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376094960 499582559 /nfs/dbraw/zinc/58/25/59/499582559.db2.gz MLAWPHKWRFXKRM-GFCCVEGCSA-N 1 2 360.439 3.070 20 5 FGBDLO Cc1cc(N2CC[C@]3(C2)CCCOC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000376422285 499607552 /nfs/dbraw/zinc/60/75/52/499607552.db2.gz BRZJYSFAPNBCGX-IBGZPJMESA-N 1 2 354.410 3.367 20 5 FGBDLO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000409643133 499611337 /nfs/dbraw/zinc/61/13/37/499611337.db2.gz GHZJCOTYYFDWKA-CYBMUJFWSA-N 1 2 362.455 3.161 20 5 FGBDLO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000409643133 499611338 /nfs/dbraw/zinc/61/13/38/499611338.db2.gz GHZJCOTYYFDWKA-CYBMUJFWSA-N 1 2 362.455 3.161 20 5 FGBDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411297863 499723223 /nfs/dbraw/zinc/72/32/23/499723223.db2.gz SFQRQYTUEBHHGN-ZDUSSCGKSA-N 1 2 370.409 3.039 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000412176544 499830819 /nfs/dbraw/zinc/83/08/19/499830819.db2.gz KOCFQPZHOXSWHR-UHFFFAOYSA-N 1 2 358.398 3.125 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000412176544 499830821 /nfs/dbraw/zinc/83/08/21/499830821.db2.gz KOCFQPZHOXSWHR-UHFFFAOYSA-N 1 2 358.398 3.125 20 5 FGBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412673002 499874445 /nfs/dbraw/zinc/87/44/45/499874445.db2.gz MPKAFLYTJZBYPF-JTQLQIEISA-N 1 2 356.304 3.099 20 5 FGBDLO Cc1cc(N2CCC[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n(C)n1 ZINC000413269530 499935036 /nfs/dbraw/zinc/93/50/36/499935036.db2.gz SEXMPTMTDPIUBE-OAHLLOKOSA-N 1 2 366.425 3.266 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)c2c1 ZINC000413317444 499940616 /nfs/dbraw/zinc/94/06/16/499940616.db2.gz QVUFHGFZROLSGF-ICSRJNTNSA-N 1 2 367.380 3.447 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130909 500008838 /nfs/dbraw/zinc/00/88/38/500008838.db2.gz VRLADHVNTZDVKN-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429130909 500008839 /nfs/dbraw/zinc/00/88/39/500008839.db2.gz VRLADHVNTZDVKN-AWEZNQCLSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421573586 500084995 /nfs/dbraw/zinc/08/49/95/500084995.db2.gz BNILJRKYSZIPQJ-LBPRGKRZSA-N 1 2 363.801 3.344 20 5 FGBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000413991737 500118406 /nfs/dbraw/zinc/11/84/06/500118406.db2.gz WOFSGMDJRLTODT-ZDUSSCGKSA-N 1 2 356.304 3.097 20 5 FGBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000429837137 500153159 /nfs/dbraw/zinc/15/31/59/500153159.db2.gz DOABLYZCZZWEPX-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000430222014 500211153 /nfs/dbraw/zinc/21/11/53/500211153.db2.gz SWCKWOUIGOEUFS-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000430222014 500211157 /nfs/dbraw/zinc/21/11/57/500211157.db2.gz SWCKWOUIGOEUFS-LJQANCHMSA-N 1 2 356.422 3.437 20 5 FGBDLO COC1(C(F)(F)F)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000419348795 500356647 /nfs/dbraw/zinc/35/66/47/500356647.db2.gz LRKPWZVFZKBCNC-UHFFFAOYSA-N 1 2 354.275 3.416 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cccc(F)c21 ZINC000427590155 500409001 /nfs/dbraw/zinc/40/90/01/500409001.db2.gz XLXQWCIZZXCPIG-UHFFFAOYSA-N 1 2 352.325 3.123 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000428400049 500505380 /nfs/dbraw/zinc/50/53/80/500505380.db2.gz MLKFXHHWNQFPFQ-HYXAFXHYSA-N 1 2 353.426 3.031 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]c3ccc(Cl)cn13)CCO2 ZINC000582392382 506201115 /nfs/dbraw/zinc/20/11/15/506201115.db2.gz ZLPGLRPOBZLUFH-UHFFFAOYSA-N 1 2 358.785 3.291 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436991236 500587678 /nfs/dbraw/zinc/58/76/78/500587678.db2.gz URQHYBLIVVGFBJ-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436991236 500587681 /nfs/dbraw/zinc/58/76/81/500587681.db2.gz URQHYBLIVVGFBJ-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCCCCC4)[nH+]c3)nc2c1 ZINC000447685293 500645398 /nfs/dbraw/zinc/64/53/98/500645398.db2.gz JSVBCMDNCJOQJV-UHFFFAOYSA-N 1 2 366.425 3.281 20 5 FGBDLO CCOc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000447818246 500669641 /nfs/dbraw/zinc/66/96/41/500669641.db2.gz VYMRYDNQWJHALI-UHFFFAOYSA-N 1 2 371.437 3.438 20 5 FGBDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448717988 500813400 /nfs/dbraw/zinc/81/34/00/500813400.db2.gz ZSUQYAJCFKSMCZ-RDTXWAMCSA-N 1 2 372.425 3.106 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000444676963 500877187 /nfs/dbraw/zinc/87/71/87/500877187.db2.gz SGNKJDXVYHPANI-FQEVSTJZSA-N 1 2 364.405 3.493 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000444676963 500877190 /nfs/dbraw/zinc/87/71/90/500877190.db2.gz SGNKJDXVYHPANI-FQEVSTJZSA-N 1 2 364.405 3.493 20 5 FGBDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444718976 500886710 /nfs/dbraw/zinc/88/67/10/500886710.db2.gz XMXIIWDERNXRDB-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444718976 500886714 /nfs/dbraw/zinc/88/67/14/500886714.db2.gz XMXIIWDERNXRDB-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444732659 500889895 /nfs/dbraw/zinc/88/98/95/500889895.db2.gz LUAUSARLTAZQAR-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444732659 500889900 /nfs/dbraw/zinc/88/99/00/500889900.db2.gz LUAUSARLTAZQAR-GWCFXTLKSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445815064 501036301 /nfs/dbraw/zinc/03/63/01/501036301.db2.gz GMQJFRZBESYFRC-GXTWGEPZSA-N 1 2 364.789 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445815064 501036303 /nfs/dbraw/zinc/03/63/03/501036303.db2.gz GMQJFRZBESYFRC-GXTWGEPZSA-N 1 2 364.789 3.224 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000445965976 501056177 /nfs/dbraw/zinc/05/61/77/501056177.db2.gz MQXGWBRYVHMDDB-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000436393391 501119409 /nfs/dbraw/zinc/11/94/09/501119409.db2.gz UUNJRBYLLFMONH-NSHDSACASA-N 1 2 354.288 3.061 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000446499097 501125647 /nfs/dbraw/zinc/12/56/47/501125647.db2.gz OWIYLQOTFBSOCQ-UHFFFAOYSA-N 1 2 365.393 3.107 20 5 FGBDLO CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450039384 501161168 /nfs/dbraw/zinc/16/11/68/501161168.db2.gz MJXQNUZDGHAOMH-CJNGLKHVSA-N 1 2 360.439 3.185 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1C ZINC000451365900 501276198 /nfs/dbraw/zinc/27/61/98/501276198.db2.gz HOCGNMNKZBIKKM-GOEBONIOSA-N 1 2 372.425 3.058 20 5 FGBDLO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000451524685 501312749 /nfs/dbraw/zinc/31/27/49/501312749.db2.gz LOTWICFLNPOADU-QDMKHBRRSA-N 1 2 372.425 3.104 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000453407247 501325700 /nfs/dbraw/zinc/32/57/00/501325700.db2.gz UMHSZYLYQKTBGE-SFHVURJKSA-N 1 2 358.442 3.214 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000452330360 501478945 /nfs/dbraw/zinc/47/89/45/501478945.db2.gz AKJJJECWIPCJIN-UHFFFAOYSA-N 1 2 354.288 3.399 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332553 501479415 /nfs/dbraw/zinc/47/94/15/501479415.db2.gz HHPADNISXOYBNY-JTQLQIEISA-N 1 2 364.789 3.187 20 5 FGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c1[N+](=O)[O-] ZINC000452353166 501483952 /nfs/dbraw/zinc/48/39/52/501483952.db2.gz JDXVFRAMNPUANK-UHFFFAOYSA-N 1 2 368.397 3.308 20 5 FGBDLO C[C@H](C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000452446997 501502196 /nfs/dbraw/zinc/50/21/96/501502196.db2.gz GLKQNPQXFTUNSG-NHYWBVRUSA-N 1 2 360.389 3.181 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2n1[C@H](C)CO ZINC000456699315 501579990 /nfs/dbraw/zinc/57/99/90/501579990.db2.gz FFPHSFLRCKHQAQ-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602684603 506262514 /nfs/dbraw/zinc/26/25/14/506262514.db2.gz PCCCHTBBQLSSTL-VIFPVBQESA-N 1 2 363.277 3.402 20 5 FGBDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602684603 506262524 /nfs/dbraw/zinc/26/25/24/506262524.db2.gz PCCCHTBBQLSSTL-VIFPVBQESA-N 1 2 363.277 3.402 20 5 FGBDLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000456844161 501608998 /nfs/dbraw/zinc/60/89/98/501608998.db2.gz HUUGWNHVEGITKQ-GFCCVEGCSA-N 1 2 363.801 3.344 20 5 FGBDLO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000602705979 506267777 /nfs/dbraw/zinc/26/77/77/506267777.db2.gz FUFTYXSQZWNZCH-INIZCTEOSA-N 1 2 357.366 3.222 20 5 FGBDLO Cn1cc(-c2ccc(C[NH+]3CC(Oc4ccc([N+](=O)[O-])cc4)C3)s2)cn1 ZINC000459625041 501689147 /nfs/dbraw/zinc/68/91/47/501689147.db2.gz WGYNZXSOWKNDPZ-UHFFFAOYSA-N 1 2 370.434 3.320 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000477736894 501773104 /nfs/dbraw/zinc/77/31/04/501773104.db2.gz ICOKLOWFMSPTFG-UHFFFAOYSA-N 1 2 372.331 3.372 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000481514597 501797070 /nfs/dbraw/zinc/79/70/70/501797070.db2.gz IUDVOZKZRNEHIM-OAHLLOKOSA-N 1 2 360.357 3.062 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000481514597 501797073 /nfs/dbraw/zinc/79/70/73/501797073.db2.gz IUDVOZKZRNEHIM-OAHLLOKOSA-N 1 2 360.357 3.062 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000478006473 501852161 /nfs/dbraw/zinc/85/21/61/501852161.db2.gz VZXDADAJUYXYRG-UHFFFAOYSA-N 1 2 354.370 3.392 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000481695624 501852667 /nfs/dbraw/zinc/85/26/67/501852667.db2.gz OBSTWSZVIBWJMI-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000474969076 502007434 /nfs/dbraw/zinc/00/74/34/502007434.db2.gz UFKKFGNLCRKREL-OCCSQVGLSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000474969076 502007437 /nfs/dbraw/zinc/00/74/37/502007437.db2.gz UFKKFGNLCRKREL-OCCSQVGLSA-N 1 2 356.426 3.424 20 5 FGBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000596168138 506289425 /nfs/dbraw/zinc/28/94/25/506289425.db2.gz LGOSCHDWVJLYPA-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000482457083 502074904 /nfs/dbraw/zinc/07/49/04/502074904.db2.gz JBUFUZLXZWVZRZ-IBGZPJMESA-N 1 2 364.442 3.154 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000482457083 502074910 /nfs/dbraw/zinc/07/49/10/502074910.db2.gz JBUFUZLXZWVZRZ-IBGZPJMESA-N 1 2 364.442 3.154 20 5 FGBDLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771330 502087908 /nfs/dbraw/zinc/08/79/08/502087908.db2.gz CZVVNBDFHZSXHH-UHFFFAOYSA-N 1 2 360.366 3.018 20 5 FGBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844821 502116454 /nfs/dbraw/zinc/11/64/54/502116454.db2.gz CGILWUOAXAUKSY-DNVCBOLYSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000464844821 502116458 /nfs/dbraw/zinc/11/64/58/502116458.db2.gz CGILWUOAXAUKSY-DNVCBOLYSA-N 1 2 372.421 3.444 20 5 FGBDLO CCc1ccc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1[N+](=O)[O-] ZINC000471820046 502146170 /nfs/dbraw/zinc/14/61/70/502146170.db2.gz FSCURLUGIUTBKK-UHFFFAOYSA-N 1 2 356.426 3.328 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596184133 506298332 /nfs/dbraw/zinc/29/83/32/506298332.db2.gz JWBGEMIVCTWQBG-UHFFFAOYSA-N 1 2 367.409 3.449 20 5 FGBDLO CCC[C@]1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000582567803 506299374 /nfs/dbraw/zinc/29/93/74/506299374.db2.gz FZFAIUVQXGLPQI-IBGZPJMESA-N 1 2 356.426 3.349 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000486790000 502261782 /nfs/dbraw/zinc/26/17/82/502261782.db2.gz VMKHYJKLWFFRDD-NSHDSACASA-N 1 2 356.361 3.073 20 5 FGBDLO Cc1noc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C2CCOCC2)n1 ZINC000486829304 502276692 /nfs/dbraw/zinc/27/66/92/502276692.db2.gz TXGYCGSKWLVISZ-OAHLLOKOSA-N 1 2 366.805 3.197 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000599073168 506310455 /nfs/dbraw/zinc/31/04/55/506310455.db2.gz LWOBNVYVJHDDIZ-XHDPSFHLSA-N 1 2 355.316 3.283 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@H]2CCC3(CCOCC3)[C@H]2O)ccc2c[nH+]ccc21 ZINC000599074999 506311410 /nfs/dbraw/zinc/31/14/10/506311410.db2.gz ZCFCWNRJEQVBSB-KDOFPFPSSA-N 1 2 357.410 3.123 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479994146 502440535 /nfs/dbraw/zinc/44/05/35/502440535.db2.gz SSCOBNZBXTVSIX-UHFFFAOYSA-N 1 2 365.393 3.168 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)c1C ZINC000462778425 502568145 /nfs/dbraw/zinc/56/81/45/502568145.db2.gz OMAOGOYDOYKIPU-UHFFFAOYSA-N 1 2 352.350 3.355 20 5 FGBDLO COC(=O)COc1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000473491377 502609124 /nfs/dbraw/zinc/60/91/24/502609124.db2.gz QBYHMHZHQNGOLB-UHFFFAOYSA-N 1 2 371.393 3.033 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000466603993 502620331 /nfs/dbraw/zinc/62/03/31/502620331.db2.gz JAJLKYDYIAQULW-UHFFFAOYSA-N 1 2 368.437 3.186 20 5 FGBDLO Cn1cc([C@@H]2C[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCO2)cn1 ZINC000599108176 506325519 /nfs/dbraw/zinc/32/55/19/506325519.db2.gz NMSZJBNGZXFUBK-YOEHRIQHSA-N 1 2 353.382 3.209 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000463030819 502667244 /nfs/dbraw/zinc/66/72/44/502667244.db2.gz ARAAKOFHXHQRNZ-LBPRGKRZSA-N 1 2 363.414 3.314 20 5 FGBDLO CNc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000463170302 502711545 /nfs/dbraw/zinc/71/15/45/502711545.db2.gz KSRPNIJHKCDYII-CYBMUJFWSA-N 1 2 374.466 3.217 20 5 FGBDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000477317966 502740925 /nfs/dbraw/zinc/74/09/25/502740925.db2.gz DQQHLXJSXNKBGQ-UHFFFAOYSA-N 1 2 357.410 3.155 20 5 FGBDLO Cc1cc(NCC2(CCO)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467017177 502759137 /nfs/dbraw/zinc/75/91/37/502759137.db2.gz PBDDTASKXKQBLG-UHFFFAOYSA-N 1 2 356.426 3.137 20 5 FGBDLO Cn1c2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2[nH+]c1C1CC1 ZINC000596269538 506335347 /nfs/dbraw/zinc/33/53/47/506335347.db2.gz ROBUOWARYCXSCC-UHFFFAOYSA-N 1 2 365.393 3.070 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898862 502889151 /nfs/dbraw/zinc/88/91/51/502889151.db2.gz MZBPCMJWGMPZMV-ZDTYVGOBSA-N 1 2 362.361 3.069 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000500898862 502889156 /nfs/dbraw/zinc/88/91/56/502889156.db2.gz MZBPCMJWGMPZMV-ZDTYVGOBSA-N 1 2 362.361 3.069 20 5 FGBDLO Cc1cc(N[C@@H]2CCCc3nn(C)cc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509450617 502906990 /nfs/dbraw/zinc/90/69/90/502906990.db2.gz FTJOIPCNEVLBLZ-MRXNPFEDSA-N 1 2 364.409 3.005 20 5 FGBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000599141238 506342310 /nfs/dbraw/zinc/34/23/10/506342310.db2.gz ZLYKHDDNCNMNOG-CYBMUJFWSA-N 1 2 362.817 3.338 20 5 FGBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000599141238 506342311 /nfs/dbraw/zinc/34/23/11/506342311.db2.gz ZLYKHDDNCNMNOG-CYBMUJFWSA-N 1 2 362.817 3.338 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513664938 502994822 /nfs/dbraw/zinc/99/48/22/502994822.db2.gz AEGCEGBPLZQZJB-GOSISDBHSA-N 1 2 370.384 3.225 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000497648133 503006552 /nfs/dbraw/zinc/00/65/52/503006552.db2.gz BNHVICAWVBBYKU-QGZVFWFLSA-N 1 2 372.400 3.242 20 5 FGBDLO COCC[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506245646 503077462 /nfs/dbraw/zinc/07/74/62/503077462.db2.gz JWNYWQQAPSUAID-UHFFFAOYSA-N 1 2 361.467 3.087 20 5 FGBDLO COCc1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000514092113 503084359 /nfs/dbraw/zinc/08/43/59/503084359.db2.gz BYUDMOLKSQGUPB-LJQANCHMSA-N 1 2 366.421 3.354 20 5 FGBDLO COc1c(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cccc1[N+](=O)[O-] ZINC000514593299 503144771 /nfs/dbraw/zinc/14/47/71/503144771.db2.gz FLDZHCIOJVSOBL-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000510604525 503153442 /nfs/dbraw/zinc/15/34/42/503153442.db2.gz ZYQFDPAOVYJPLO-IBGZPJMESA-N 1 2 362.376 3.399 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000510604525 503153446 /nfs/dbraw/zinc/15/34/46/503153446.db2.gz ZYQFDPAOVYJPLO-IBGZPJMESA-N 1 2 362.376 3.399 20 5 FGBDLO COc1cccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000498314481 503156318 /nfs/dbraw/zinc/15/63/18/503156318.db2.gz DEMAVKWFBIVPNZ-CYBMUJFWSA-N 1 2 366.377 3.280 20 5 FGBDLO Cc1nocc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000506979374 503205374 /nfs/dbraw/zinc/20/53/74/503205374.db2.gz NODDAFMLPNKXSP-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000511130646 503263743 /nfs/dbraw/zinc/26/37/43/503263743.db2.gz JGNXUIHFXFMGJN-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000511130646 503263748 /nfs/dbraw/zinc/26/37/48/503263748.db2.gz JGNXUIHFXFMGJN-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 ZINC000491110853 503274224 /nfs/dbraw/zinc/27/42/24/503274224.db2.gz LTTSEXZERVATLM-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491268028 503291733 /nfs/dbraw/zinc/29/17/33/503291733.db2.gz NWTBPKKHTQUTSW-NSHDSACASA-N 1 2 368.231 3.028 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491268028 503291737 /nfs/dbraw/zinc/29/17/37/503291737.db2.gz NWTBPKKHTQUTSW-NSHDSACASA-N 1 2 368.231 3.028 20 5 FGBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000502906709 503305191 /nfs/dbraw/zinc/30/51/91/503305191.db2.gz INQNPPCOZLLNBH-FQEVSTJZSA-N 1 2 371.412 3.437 20 5 FGBDLO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000502906709 503305193 /nfs/dbraw/zinc/30/51/93/503305193.db2.gz INQNPPCOZLLNBH-FQEVSTJZSA-N 1 2 371.412 3.437 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000511420506 503318888 /nfs/dbraw/zinc/31/88/88/503318888.db2.gz DVJCBHINIVIPCK-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611983829 506382466 /nfs/dbraw/zinc/38/24/66/506382466.db2.gz PGHNELYLIQJFJF-ZDUSSCGKSA-N 1 2 356.378 3.149 20 5 FGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611983829 506382472 /nfs/dbraw/zinc/38/24/72/506382472.db2.gz PGHNELYLIQJFJF-ZDUSSCGKSA-N 1 2 356.378 3.149 20 5 FGBDLO O=[N+]([O-])c1cc(CNc2ccc(CO)c[nH+]2)ccc1Oc1ccc(F)cc1 ZINC000516942137 503625159 /nfs/dbraw/zinc/62/51/59/503625159.db2.gz BXPIBCVXTVKCGL-UHFFFAOYSA-N 1 2 369.352 3.448 20 5 FGBDLO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000546502596 503770922 /nfs/dbraw/zinc/77/09/22/503770922.db2.gz XDRFYVJHVASJGR-INIZCTEOSA-N 1 2 372.425 3.478 20 5 FGBDLO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000546502596 503770925 /nfs/dbraw/zinc/77/09/25/503770925.db2.gz XDRFYVJHVASJGR-INIZCTEOSA-N 1 2 372.425 3.478 20 5 FGBDLO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533424317 503839423 /nfs/dbraw/zinc/83/94/23/503839423.db2.gz FCZJDZGGSJCURO-SNVBAGLBSA-N 1 2 356.220 3.170 20 5 FGBDLO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533424317 503839428 /nfs/dbraw/zinc/83/94/28/503839428.db2.gz FCZJDZGGSJCURO-SNVBAGLBSA-N 1 2 356.220 3.170 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000540692522 503857700 /nfs/dbraw/zinc/85/77/00/503857700.db2.gz QTUNLCDLIXJYIC-UHFFFAOYSA-N 1 2 362.455 3.493 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000543791293 503895141 /nfs/dbraw/zinc/89/51/41/503895141.db2.gz CLLCBIATKPJUKD-CQSZACIVSA-N 1 2 362.455 3.154 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543975792 503957550 /nfs/dbraw/zinc/95/75/50/503957550.db2.gz KLVIMDVOTDDMGV-UHFFFAOYSA-N 1 2 372.425 3.275 20 5 FGBDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537635289 503985996 /nfs/dbraw/zinc/98/59/96/503985996.db2.gz KPESZELBMKKLCF-SFHVURJKSA-N 1 2 371.437 3.210 20 5 FGBDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537635289 503986002 /nfs/dbraw/zinc/98/60/02/503986002.db2.gz KPESZELBMKKLCF-SFHVURJKSA-N 1 2 371.437 3.210 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)cn1 ZINC000537688180 504005485 /nfs/dbraw/zinc/00/54/85/504005485.db2.gz XZZSOQPSGWMZEK-UHFFFAOYSA-N 1 2 353.357 3.004 20 5 FGBDLO Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000534299322 504100642 /nfs/dbraw/zinc/10/06/42/504100642.db2.gz AXJQMCQSKJPVSJ-UHFFFAOYSA-N 1 2 369.299 3.222 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381684 504110793 /nfs/dbraw/zinc/11/07/93/504110793.db2.gz FAVXVSWHOYWHQH-FOIQADDNSA-N 1 2 371.437 3.439 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C)cn1 ZINC000538277975 504185815 /nfs/dbraw/zinc/18/58/15/504185815.db2.gz WOYMMHFLZIVHML-INIZCTEOSA-N 1 2 370.413 3.255 20 5 FGBDLO CC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000531093479 504187073 /nfs/dbraw/zinc/18/70/73/504187073.db2.gz PXKQJIWHFRQYFS-AWEZNQCLSA-N 1 2 356.304 3.241 20 5 FGBDLO COC(=O)c1cc2cc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc2o1 ZINC000541617807 504202416 /nfs/dbraw/zinc/20/24/16/504202416.db2.gz GKEXMZHYIZGPSG-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO COC(=O)c1cc2cc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc2o1 ZINC000541617807 504202421 /nfs/dbraw/zinc/20/24/21/504202421.db2.gz GKEXMZHYIZGPSG-UHFFFAOYSA-N 1 2 367.361 3.081 20 5 FGBDLO O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000544912329 504298768 /nfs/dbraw/zinc/29/87/68/504298768.db2.gz MWXSVTNTKRCRQM-UHFFFAOYSA-N 1 2 361.361 3.480 20 5 FGBDLO COc1cc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])cc1F ZINC000535265373 504388404 /nfs/dbraw/zinc/38/84/04/504388404.db2.gz SPXVUAMUTUYWQN-UHFFFAOYSA-N 1 2 351.403 3.126 20 5 FGBDLO CC(C)c1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C(C)C)[nH+]1 ZINC000535593863 504480883 /nfs/dbraw/zinc/48/08/83/504480883.db2.gz JSCKVUGFDXGHKP-UHFFFAOYSA-N 1 2 370.457 3.353 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000545931167 504643207 /nfs/dbraw/zinc/64/32/07/504643207.db2.gz CBWQHCIZRMAAHQ-CQSZACIVSA-N 1 2 350.312 3.259 20 5 FGBDLO Cc1ccccc1C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543132177 504737042 /nfs/dbraw/zinc/73/70/42/504737042.db2.gz PAPBQCVDZYPSNH-UHFFFAOYSA-N 1 2 374.462 3.342 20 5 FGBDLO Cc1ccccc1C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543132177 504737049 /nfs/dbraw/zinc/73/70/49/504737049.db2.gz PAPBQCVDZYPSNH-UHFFFAOYSA-N 1 2 374.462 3.342 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000559138627 504789425 /nfs/dbraw/zinc/78/94/25/504789425.db2.gz LKDCQIOTZLCARS-AWEZNQCLSA-N 1 2 359.401 3.318 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000553230930 504858336 /nfs/dbraw/zinc/85/83/36/504858336.db2.gz JQZYPZVHZQUSHQ-ZDUSSCGKSA-N 1 2 370.240 3.128 20 5 FGBDLO Cc1cc(N[C@@H](CO)c2ccc(F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000559423512 504859082 /nfs/dbraw/zinc/85/90/82/504859082.db2.gz RAAUFHJRSWVMNN-KRWDZBQOSA-N 1 2 368.368 3.067 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000549691377 504875029 /nfs/dbraw/zinc/87/50/29/504875029.db2.gz AQOHHRPJUCXIDK-UHFFFAOYSA-N 1 2 363.364 3.291 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000549691377 504875033 /nfs/dbraw/zinc/87/50/33/504875033.db2.gz AQOHHRPJUCXIDK-UHFFFAOYSA-N 1 2 363.364 3.291 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC[C@H]3CC3CCC3)n2)c1 ZINC000550143086 504976702 /nfs/dbraw/zinc/97/67/02/504976702.db2.gz CXRFAIZPGNZCOC-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC[C@H]3CC3CCC3)n2)c1 ZINC000550143086 504976707 /nfs/dbraw/zinc/97/67/07/504976707.db2.gz CXRFAIZPGNZCOC-MRXNPFEDSA-N 1 2 358.398 3.036 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000550210994 504993426 /nfs/dbraw/zinc/99/34/26/504993426.db2.gz FIOFUIQYPQEYJC-CYBMUJFWSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000550210994 504993428 /nfs/dbraw/zinc/99/34/28/504993428.db2.gz FIOFUIQYPQEYJC-CYBMUJFWSA-N 1 2 373.384 3.171 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000566184886 505106859 /nfs/dbraw/zinc/10/68/59/505106859.db2.gz RWRRFNXDRGALKB-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000566184886 505106861 /nfs/dbraw/zinc/10/68/61/505106861.db2.gz RWRRFNXDRGALKB-NSHDSACASA-N 1 2 372.368 3.348 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3cccs3)c3nnc[nH]3)c2c1 ZINC000550820140 505108576 /nfs/dbraw/zinc/10/85/76/505108576.db2.gz XKPGCPXUQBSGGS-MRXNPFEDSA-N 1 2 368.422 3.177 20 5 FGBDLO O=C(C[N@@H+]1CC[C@](F)(c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557694503 505205512 /nfs/dbraw/zinc/20/55/12/505205512.db2.gz OQRKATALTPJBNU-HXUWFJFHSA-N 1 2 369.396 3.055 20 5 FGBDLO O=C(C[N@H+]1CC[C@](F)(c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557694503 505205518 /nfs/dbraw/zinc/20/55/18/505205518.db2.gz OQRKATALTPJBNU-HXUWFJFHSA-N 1 2 369.396 3.055 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1C1CC1 ZINC000554980595 505319124 /nfs/dbraw/zinc/31/91/24/505319124.db2.gz CRVIVXDAQUYELD-UHFFFAOYSA-N 1 2 367.409 3.110 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2n1C1CC1 ZINC000555174134 505371104 /nfs/dbraw/zinc/37/11/04/505371104.db2.gz RRNCZGKMTZWHMO-UHFFFAOYSA-N 1 2 353.382 3.100 20 5 FGBDLO Cc1nc(C)c(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552045831 505381278 /nfs/dbraw/zinc/38/12/78/505381278.db2.gz QLKHXYRSNNTMML-INIZCTEOSA-N 1 2 357.439 3.281 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555315317 505405748 /nfs/dbraw/zinc/40/57/48/505405748.db2.gz CCFKDMSYQVWWII-HNNXBMFYSA-N 1 2 373.375 3.446 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555315317 505405751 /nfs/dbraw/zinc/40/57/51/505405751.db2.gz CCFKDMSYQVWWII-HNNXBMFYSA-N 1 2 373.375 3.446 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000552161998 505418733 /nfs/dbraw/zinc/41/87/33/505418733.db2.gz AAJYNGIEFQQPGX-MRXNPFEDSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000552161998 505418736 /nfs/dbraw/zinc/41/87/36/505418736.db2.gz AAJYNGIEFQQPGX-MRXNPFEDSA-N 1 2 369.421 3.037 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000555524134 505445665 /nfs/dbraw/zinc/44/56/65/505445665.db2.gz FMXJUUDANINRBT-GOSISDBHSA-N 1 2 362.357 3.008 20 5 FGBDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558743954 505481163 /nfs/dbraw/zinc/48/11/63/505481163.db2.gz ZCWITSNFTRPODG-CQSZACIVSA-N 1 2 358.446 3.322 20 5 FGBDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558743954 505481166 /nfs/dbraw/zinc/48/11/66/505481166.db2.gz ZCWITSNFTRPODG-CQSZACIVSA-N 1 2 358.446 3.322 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000567514892 505485876 /nfs/dbraw/zinc/48/58/76/505485876.db2.gz RMXZZXVQSSBFCQ-CYBMUJFWSA-N 1 2 368.315 3.228 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000562068265 505508540 /nfs/dbraw/zinc/50/85/40/505508540.db2.gz PCQUXANIOXFNCA-UHFFFAOYSA-N 1 2 361.199 3.295 20 5 FGBDLO Cc1cc(N2CCCC[C@@H]2[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596436449 506403839 /nfs/dbraw/zinc/40/38/39/506403839.db2.gz RWVKUAZFLWONMJ-CXAGYDPISA-N 1 2 356.426 3.348 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000589104861 506442458 /nfs/dbraw/zinc/44/24/58/506442458.db2.gz CUPGOQNNRMXITK-UHFFFAOYSA-N 1 2 364.352 3.376 20 5 FGBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CCCC1 ZINC000596531340 506449681 /nfs/dbraw/zinc/44/96/81/506449681.db2.gz WVZGPFMFNHZVNQ-LJQANCHMSA-N 1 2 363.458 3.044 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000599551248 506495566 /nfs/dbraw/zinc/49/55/66/506495566.db2.gz JOCVAUAKXJABHI-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC(F)(F)CC1 ZINC000599551248 506495572 /nfs/dbraw/zinc/49/55/72/506495572.db2.gz JOCVAUAKXJABHI-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000612477046 506592923 /nfs/dbraw/zinc/59/29/23/506592923.db2.gz WPGAHUOMVNIFOQ-CYBMUJFWSA-N 1 2 370.384 3.152 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593405103 506602611 /nfs/dbraw/zinc/60/26/11/506602611.db2.gz GUHWMVCQUVNMNW-UHFFFAOYSA-N 1 2 370.384 3.141 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603744327 506608374 /nfs/dbraw/zinc/60/83/74/506608374.db2.gz IJFTZSGADVFXRC-UHFFFAOYSA-N 1 2 366.377 3.135 20 5 FGBDLO Cc1cc(N2CCC(C3(O)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593483403 506645208 /nfs/dbraw/zinc/64/52/08/506645208.db2.gz YJCZSMGRNQKLOT-UHFFFAOYSA-N 1 2 354.410 3.102 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096655 506772228 /nfs/dbraw/zinc/77/22/28/506772228.db2.gz COQAQPXWORSNOJ-UHFFFAOYSA-N 1 2 366.809 3.005 20 5 FGBDLO COc1cc(OCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000604457442 506837810 /nfs/dbraw/zinc/83/78/10/506837810.db2.gz MLPQACLPHABONN-UHFFFAOYSA-N 1 2 368.349 3.011 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000609494980 506899691 /nfs/dbraw/zinc/89/96/91/506899691.db2.gz PHZBIFMVIRKEHE-KBPBESRZSA-N 1 2 372.425 3.224 20 5 FGBDLO Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1[N+](=O)[O-] ZINC000609664000 506966248 /nfs/dbraw/zinc/96/62/48/506966248.db2.gz DJSQXVJXDVSBEJ-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000597703460 507067120 /nfs/dbraw/zinc/06/71/20/507067120.db2.gz GQXWQLOAOVIPIE-UHFFFAOYSA-N 1 2 361.442 3.027 20 5 FGBDLO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(Cl)cc1 ZINC000610004331 507069140 /nfs/dbraw/zinc/06/91/40/507069140.db2.gz CDNHRAOSILOQOG-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(Cl)cc1 ZINC000610004331 507069145 /nfs/dbraw/zinc/06/91/45/507069145.db2.gz CDNHRAOSILOQOG-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO COC(=O)c1cc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600789867 507122111 /nfs/dbraw/zinc/12/21/11/507122111.db2.gz WOTBGAGXNNKGCR-INIZCTEOSA-N 1 2 357.366 3.034 20 5 FGBDLO CC(C)(C)n1nnc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000594514231 507164346 /nfs/dbraw/zinc/16/43/46/507164346.db2.gz IMYHLFJBDMNJOV-UHFFFAOYSA-N 1 2 372.454 3.355 20 5 FGBDLO C[C@@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420580 507232980 /nfs/dbraw/zinc/23/29/80/507232980.db2.gz ZLDFJSQSPRFGQV-UTKZUKDTSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420580 507232986 /nfs/dbraw/zinc/23/29/86/507232986.db2.gz ZLDFJSQSPRFGQV-UTKZUKDTSA-N 1 2 369.465 3.273 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000610453818 507247528 /nfs/dbraw/zinc/24/75/28/507247528.db2.gz YPBVTVJEDAMZKO-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610505735 507268734 /nfs/dbraw/zinc/26/87/34/507268734.db2.gz VLMXPLAJWLGBTG-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610505735 507268740 /nfs/dbraw/zinc/26/87/40/507268740.db2.gz VLMXPLAJWLGBTG-KRWDZBQOSA-N 1 2 355.369 3.070 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000595020418 507356828 /nfs/dbraw/zinc/35/68/28/507356828.db2.gz YATXVCAGBAOOIN-ZUZCIYMTSA-N 1 2 352.337 3.266 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c1[N+](=O)[O-] ZINC000595462162 507509428 /nfs/dbraw/zinc/50/94/28/507509428.db2.gz TVELQNUUHSUVGU-CYBMUJFWSA-N 1 2 367.409 3.150 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c1[N+](=O)[O-] ZINC000595462162 507509432 /nfs/dbraw/zinc/50/94/32/507509432.db2.gz TVELQNUUHSUVGU-CYBMUJFWSA-N 1 2 367.409 3.150 20 5 FGBDLO Cc1cc(NCc2nccc(C(F)F)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000584861279 507544667 /nfs/dbraw/zinc/54/46/67/507544667.db2.gz FIIMEOWKNGMCMI-UHFFFAOYSA-N 1 2 372.335 3.122 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258976 507586036 /nfs/dbraw/zinc/58/60/36/507586036.db2.gz QTVYIAHDYNVBEZ-UHFFFAOYSA-N 1 2 354.410 3.116 20 5 FGBDLO CC(C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000602113693 507596135 /nfs/dbraw/zinc/59/61/35/507596135.db2.gz OSGQOVMEPPKKDV-CYBMUJFWSA-N 1 2 370.331 3.336 20 5 FGBDLO C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000602131544 507603107 /nfs/dbraw/zinc/60/31/07/507603107.db2.gz DZRKKMHUSWCPOH-GWCFXTLKSA-N 1 2 356.304 3.162 20 5 FGBDLO O=[N+]([O-])c1c(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc2sccn21 ZINC000614771536 507647572 /nfs/dbraw/zinc/64/75/72/507647572.db2.gz OIEMQPJTBBOGRN-GFCCVEGCSA-N 1 2 358.427 3.247 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892382 507730834 /nfs/dbraw/zinc/73/08/34/507730834.db2.gz PFILDNIUUSUFIX-UHFFFAOYSA-N 1 2 373.457 3.287 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892382 507730837 /nfs/dbraw/zinc/73/08/37/507730837.db2.gz PFILDNIUUSUFIX-UHFFFAOYSA-N 1 2 373.457 3.287 20 5 FGBDLO O=[N+]([O-])c1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)c(-c2nn[nH]n2)c1 ZINC000738368966 598352566 /nfs/dbraw/zinc/35/25/66/598352566.db2.gz GQZOMJPVIOGAMB-UHFFFAOYSA-N 1 2 366.385 3.268 20 5 FGBDLO Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000072075874 695959589 /nfs/dbraw/zinc/95/95/89/695959589.db2.gz ROFNZTZOZDFLPW-UHFFFAOYSA-N 1 2 357.757 3.268 20 5 FGBDLO CCc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000073926463 695975277 /nfs/dbraw/zinc/97/52/77/695975277.db2.gz PGJOBHFPSCTUMC-UHFFFAOYSA-N 1 2 358.379 3.156 20 5 FGBDLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000117637201 700605109 /nfs/dbraw/zinc/60/51/09/700605109.db2.gz UGLVLEWPUXMFNP-UHFFFAOYSA-N 1 2 363.801 3.128 20 5 FGBDLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000133296815 700836906 /nfs/dbraw/zinc/83/69/06/700836906.db2.gz IUKLTVXMXJCSOE-UHFFFAOYSA-N 1 2 360.439 3.330 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247384608 713639887 /nfs/dbraw/zinc/63/98/87/713639887.db2.gz LHVLZYNSVIQMSW-IIAWOOMASA-N 1 2 367.877 3.322 20 5 FGBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247384608 713639888 /nfs/dbraw/zinc/63/98/88/713639888.db2.gz LHVLZYNSVIQMSW-IIAWOOMASA-N 1 2 367.877 3.322 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374905966 713952716 /nfs/dbraw/zinc/95/27/16/713952716.db2.gz BCRUZVDABUMAGY-CYBMUJFWSA-N 1 2 351.815 3.096 20 5 FGBDLO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(Br)n1 ZINC000720632851 722419435 /nfs/dbraw/zinc/41/94/35/722419435.db2.gz AKOREROZQDLXPO-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000735468068 722516575 /nfs/dbraw/zinc/51/65/75/722516575.db2.gz BSNJPGLEOIRFTP-OAHLLOKOSA-N 1 2 364.833 3.218 20 5 FGBDLO Cc1nn(C[NH+]2CCC(OCC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000742170681 722552886 /nfs/dbraw/zinc/55/28/86/722552886.db2.gz WWZYIOUKQRXHMK-UHFFFAOYSA-N 1 2 350.463 3.427 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000753114402 722885939 /nfs/dbraw/zinc/88/59/39/722885939.db2.gz CXZJWHBOXZCEQF-UHFFFAOYSA-N 1 2 356.398 3.370 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000753114402 722885943 /nfs/dbraw/zinc/88/59/43/722885943.db2.gz CXZJWHBOXZCEQF-UHFFFAOYSA-N 1 2 356.398 3.370 20 5 FGBDLO Cc1c(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cnn1C ZINC000790938907 723196620 /nfs/dbraw/zinc/19/66/20/723196620.db2.gz OXMNPMJBJYGMJJ-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO Cc1c(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cnn1C ZINC000790938907 723196624 /nfs/dbraw/zinc/19/66/24/723196624.db2.gz OXMNPMJBJYGMJJ-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000792900440 723379188 /nfs/dbraw/zinc/37/91/88/723379188.db2.gz WHVQGXZGJDKARO-LLVKDONJSA-N 1 2 355.232 3.285 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000792900440 723379191 /nfs/dbraw/zinc/37/91/91/723379191.db2.gz WHVQGXZGJDKARO-LLVKDONJSA-N 1 2 355.232 3.285 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000820604270 729008997 /nfs/dbraw/zinc/00/89/97/729008997.db2.gz GGLHTCICZWQZGX-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000823386125 729274262 /nfs/dbraw/zinc/27/42/62/729274262.db2.gz XNZZGFWIICRZDN-NSHDSACASA-N 1 2 368.777 3.030 20 5 FGBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825962144 729400988 /nfs/dbraw/zinc/40/09/88/729400988.db2.gz SFAFWMIPFYZICG-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825962144 729400989 /nfs/dbraw/zinc/40/09/89/729400989.db2.gz SFAFWMIPFYZICG-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000844718909 730757288 /nfs/dbraw/zinc/75/72/88/730757288.db2.gz XJOQOCZGGPTKFT-AWEZNQCLSA-N 1 2 352.822 3.445 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000844718909 730757294 /nfs/dbraw/zinc/75/72/94/730757294.db2.gz XJOQOCZGGPTKFT-AWEZNQCLSA-N 1 2 352.822 3.445 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000845266566 730825205 /nfs/dbraw/zinc/82/52/05/730825205.db2.gz MFVJMYDHWDIOFF-UHFFFAOYSA-N 1 2 366.418 3.213 20 5 FGBDLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000858168292 732188366 /nfs/dbraw/zinc/18/83/66/732188366.db2.gz IXUFMGDFPHEMAU-UHFFFAOYSA-N 1 2 353.220 3.116 20 5 FGBDLO Cc1[nH]c(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)[nH+]c1C ZINC000862360288 732815090 /nfs/dbraw/zinc/81/50/90/732815090.db2.gz ZWIYIQQVUAWKDH-UHFFFAOYSA-N 1 2 365.231 3.256 20 5 FGBDLO O=C(CCCn1cc[nH+]c1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000876084302 736057181 /nfs/dbraw/zinc/05/71/81/736057181.db2.gz YCERUPKBFCWHLM-CQSZACIVSA-N 1 2 357.288 3.418 20 5 FGBDLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877795267 736723333 /nfs/dbraw/zinc/72/33/33/736723333.db2.gz DVMDQTIPQRFEPT-VIFPVBQESA-N 1 2 363.277 3.402 20 5 FGBDLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877795267 736723341 /nfs/dbraw/zinc/72/33/41/736723341.db2.gz DVMDQTIPQRFEPT-VIFPVBQESA-N 1 2 363.277 3.402 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000883294905 737548331 /nfs/dbraw/zinc/54/83/31/737548331.db2.gz POGJFGDBIZQDNI-CQSZACIVSA-N 1 2 365.231 3.332 20 5 FGBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886614148 739275198 /nfs/dbraw/zinc/27/51/98/739275198.db2.gz OCDPNRHMXBPNEI-NHYWBVRUSA-N 1 2 357.332 3.198 20 5 FGBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886614148 739275201 /nfs/dbraw/zinc/27/52/01/739275201.db2.gz OCDPNRHMXBPNEI-NHYWBVRUSA-N 1 2 357.332 3.198 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891533431 739912537 /nfs/dbraw/zinc/91/25/37/739912537.db2.gz ZVZQTQMGTDMKFR-LSDHHAIUSA-N 1 2 358.797 3.314 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891533431 739912539 /nfs/dbraw/zinc/91/25/39/739912539.db2.gz ZVZQTQMGTDMKFR-LSDHHAIUSA-N 1 2 358.797 3.314 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O)(C3CCC3)CC2)c1 ZINC000897033992 742633826 /nfs/dbraw/zinc/63/38/26/742633826.db2.gz IBQXKAJRXNWINO-UHFFFAOYSA-N 1 2 356.369 3.323 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898905895 742841298 /nfs/dbraw/zinc/84/12/98/742841298.db2.gz IGQDKWLAUMXXOQ-UHFFFAOYSA-N 1 2 362.455 3.459 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1Br ZINC000922582834 758955918 /nfs/dbraw/zinc/95/59/18/758955918.db2.gz NRZSSBMAQBZHCA-CQSZACIVSA-N 1 2 363.215 3.388 20 5 FGBDLO COc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000926849603 759832567 /nfs/dbraw/zinc/83/25/67/759832567.db2.gz MSYPFKJDRHMALE-MRVPVSSYSA-N 1 2 356.176 3.205 20 5 FGBDLO C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928246173 760123849 /nfs/dbraw/zinc/12/38/49/760123849.db2.gz BXMLFZYXERLTIQ-MFKMUULPSA-N 1 2 356.304 3.162 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533902 760635146 /nfs/dbraw/zinc/63/51/46/760635146.db2.gz ZSASLZZBGKGIKT-HNNXBMFYSA-N 1 2 362.455 3.358 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000933987402 761518264 /nfs/dbraw/zinc/51/82/64/761518264.db2.gz ZHDVIMFRQPRXRC-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000933987402 761518269 /nfs/dbraw/zinc/51/82/69/761518269.db2.gz ZHDVIMFRQPRXRC-MRXNPFEDSA-N 1 2 350.419 3.148 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000934651958 761684462 /nfs/dbraw/zinc/68/44/62/761684462.db2.gz GPTSQRNGXMPSCK-DOMZBBRYSA-N 1 2 360.439 3.237 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1 ZINC000568101456 505616570 /nfs/dbraw/zinc/61/65/70/505616570.db2.gz ZDMKKCUQSYJCNP-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1 ZINC000568101456 505616573 /nfs/dbraw/zinc/61/65/73/505616573.db2.gz ZDMKKCUQSYJCNP-PKOBYXMFSA-N 1 2 358.394 3.235 20 5 FGBDLO CNc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000568146454 505628073 /nfs/dbraw/zinc/62/80/73/505628073.db2.gz NOLUODBCDBTADX-HDJSIYSDSA-N 1 2 369.425 3.185 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000576991784 505639989 /nfs/dbraw/zinc/63/99/89/505639989.db2.gz OBNQWYHREJFQEN-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000576991784 505639992 /nfs/dbraw/zinc/63/99/92/505639992.db2.gz OBNQWYHREJFQEN-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000068570313 493843438 /nfs/dbraw/zinc/84/34/38/493843438.db2.gz CCALDZYEEWMNMX-UHFFFAOYSA-N 1 2 356.407 3.203 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cn21 ZINC000068570037 493843603 /nfs/dbraw/zinc/84/36/03/493843603.db2.gz FWPUBYCCFVHING-UHFFFAOYSA-N 1 2 365.393 3.055 20 5 FGBDLO Cc1c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000081317200 493868465 /nfs/dbraw/zinc/86/84/65/493868465.db2.gz FQVLUEKQVOIMGO-KRWDZBQOSA-N 1 2 364.405 3.351 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007266303 494012248 /nfs/dbraw/zinc/01/22/48/494012248.db2.gz QGLWCSOFEFGYGX-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007266303 494012251 /nfs/dbraw/zinc/01/22/51/494012251.db2.gz QGLWCSOFEFGYGX-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000007929569 494054229 /nfs/dbraw/zinc/05/42/29/494054229.db2.gz ZJTJASPGKXROCA-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000007929569 494054230 /nfs/dbraw/zinc/05/42/30/494054230.db2.gz ZJTJASPGKXROCA-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000568452525 505697258 /nfs/dbraw/zinc/69/72/58/505697258.db2.gz BZYAWTLVHYCGKU-UHFFFAOYSA-N 1 2 369.425 3.215 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000033473242 494060244 /nfs/dbraw/zinc/06/02/44/494060244.db2.gz COXYOZFNDQMTND-YVMONPNESA-N 1 2 365.433 3.374 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084776595 494097058 /nfs/dbraw/zinc/09/70/58/494097058.db2.gz SEUFMBSAHOADML-UHFFFAOYSA-N 1 2 361.361 3.440 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000053633726 494154471 /nfs/dbraw/zinc/15/44/71/494154471.db2.gz ZUDYZSNBOCMUDV-UHFFFAOYSA-N 1 2 360.439 3.362 20 5 FGBDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000055029598 494292526 /nfs/dbraw/zinc/29/25/26/494292526.db2.gz PRVQRKHSGSTBLI-UHFFFAOYSA-N 1 2 366.487 3.253 20 5 FGBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066565197 494356563 /nfs/dbraw/zinc/35/65/63/494356563.db2.gz BZACYMUANUBMBB-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066565197 494356569 /nfs/dbraw/zinc/35/65/69/494356569.db2.gz BZACYMUANUBMBB-UHFFFAOYSA-N 1 2 354.819 3.084 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000055696430 494391242 /nfs/dbraw/zinc/39/12/42/494391242.db2.gz MFYSQDYPQBEZMJ-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000577407766 505721325 /nfs/dbraw/zinc/72/13/25/505721325.db2.gz KDKIGXTWEIHQCV-UHFFFAOYSA-N 1 2 364.405 3.171 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000073755772 494424386 /nfs/dbraw/zinc/42/43/86/494424386.db2.gz VWSCWMRDKNYAFS-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046599024 494539593 /nfs/dbraw/zinc/53/95/93/494539593.db2.gz XKYTXLWQAXXNHC-UHFFFAOYSA-N 1 2 355.438 3.248 20 5 FGBDLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046599024 494539596 /nfs/dbraw/zinc/53/95/96/494539596.db2.gz XKYTXLWQAXXNHC-UHFFFAOYSA-N 1 2 355.438 3.248 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046599542 494539882 /nfs/dbraw/zinc/53/98/82/494539882.db2.gz OSEUMWXUJLKAJI-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000046599542 494539887 /nfs/dbraw/zinc/53/98/87/494539887.db2.gz OSEUMWXUJLKAJI-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000092784238 494746738 /nfs/dbraw/zinc/74/67/38/494746738.db2.gz SWPNUCZRGLPWLM-QGZVFWFLSA-N 1 2 369.421 3.085 20 5 FGBDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000092784238 494746744 /nfs/dbraw/zinc/74/67/44/494746744.db2.gz SWPNUCZRGLPWLM-QGZVFWFLSA-N 1 2 369.421 3.085 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026481738 494828292 /nfs/dbraw/zinc/82/82/92/494828292.db2.gz HUYSTPYCXJBMJG-LBPRGKRZSA-N 1 2 361.373 3.202 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026481738 494828296 /nfs/dbraw/zinc/82/82/96/494828296.db2.gz HUYSTPYCXJBMJG-LBPRGKRZSA-N 1 2 361.373 3.202 20 5 FGBDLO Cc1nn(CCC(=O)Nc2c[nH+]ccc2OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000132221930 494841341 /nfs/dbraw/zinc/84/13/41/494841341.db2.gz FHZPRVMWZFZSBT-UHFFFAOYSA-N 1 2 361.402 3.009 20 5 FGBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1Cl ZINC000027350200 494863915 /nfs/dbraw/zinc/86/39/15/494863915.db2.gz AGVXJKPAONXHPR-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1Cl ZINC000027350200 494863920 /nfs/dbraw/zinc/86/39/20/494863920.db2.gz AGVXJKPAONXHPR-UHFFFAOYSA-N 1 2 359.813 3.269 20 5 FGBDLO NC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000027354334 494863957 /nfs/dbraw/zinc/86/39/57/494863957.db2.gz MRXBHTKQINFGHW-UHFFFAOYSA-N 1 2 365.389 3.489 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000027354334 494863963 /nfs/dbraw/zinc/86/39/63/494863963.db2.gz MRXBHTKQINFGHW-UHFFFAOYSA-N 1 2 365.389 3.489 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000094062775 494945016 /nfs/dbraw/zinc/94/50/16/494945016.db2.gz PLWWZSHHURDLMO-UHFFFAOYSA-N 1 2 365.393 3.031 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000574365244 505755929 /nfs/dbraw/zinc/75/59/29/505755929.db2.gz YNPKGMXCOXRRIJ-NVXWUHKLSA-N 1 2 374.441 3.496 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000574365244 505755933 /nfs/dbraw/zinc/75/59/33/505755933.db2.gz YNPKGMXCOXRRIJ-NVXWUHKLSA-N 1 2 374.441 3.496 20 5 FGBDLO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)CC1 ZINC000122711072 495019615 /nfs/dbraw/zinc/01/96/15/495019615.db2.gz UMOODOLVXWVTPH-UHFFFAOYSA-N 1 2 361.442 3.073 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000118957705 495057741 /nfs/dbraw/zinc/05/77/41/495057741.db2.gz GTCFHDVLEFPOBM-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO Cc1nsc(N2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000119246919 495125880 /nfs/dbraw/zinc/12/58/80/495125880.db2.gz CFSBWOZSJDSDKA-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO Cc1nsc(N2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000119246919 495125884 /nfs/dbraw/zinc/12/58/84/495125884.db2.gz CFSBWOZSJDSDKA-UHFFFAOYSA-N 1 2 367.862 3.120 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103975114 495263447 /nfs/dbraw/zinc/26/34/47/495263447.db2.gz QBKSDQQKUFQAOS-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120204624 495327579 /nfs/dbraw/zinc/32/75/79/495327579.db2.gz NUDXNPLPXUKIHL-INIZCTEOSA-N 1 2 369.425 3.286 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114706192 495412854 /nfs/dbraw/zinc/41/28/54/495412854.db2.gz RPDOMVPUWPPJLR-ZDUSSCGKSA-N 1 2 374.828 3.162 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120700490 495437960 /nfs/dbraw/zinc/43/79/60/495437960.db2.gz JCHLSYPOPCMMLB-GFCCVEGCSA-N 1 2 362.817 3.077 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000106242434 495439748 /nfs/dbraw/zinc/43/97/48/495439748.db2.gz PZBUJZFKIRVRHK-BDAKNGLRSA-N 1 2 354.819 3.383 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000138890845 495469544 /nfs/dbraw/zinc/46/95/44/495469544.db2.gz BJQYBWPFGSJICI-KRWDZBQOSA-N 1 2 371.393 3.085 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000138890845 495469547 /nfs/dbraw/zinc/46/95/47/495469547.db2.gz BJQYBWPFGSJICI-KRWDZBQOSA-N 1 2 371.393 3.085 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130973065 495473259 /nfs/dbraw/zinc/47/32/59/495473259.db2.gz VXJMQXWCZWJHKT-CYBMUJFWSA-N 1 2 372.450 3.111 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131177474 495502292 /nfs/dbraw/zinc/50/22/92/495502292.db2.gz XXZMMGHRLDCGGV-QGZVFWFLSA-N 1 2 373.409 3.418 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131177474 495502297 /nfs/dbraw/zinc/50/22/97/495502297.db2.gz XXZMMGHRLDCGGV-QGZVFWFLSA-N 1 2 373.409 3.418 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000141786576 495510858 /nfs/dbraw/zinc/51/08/58/495510858.db2.gz XCQBYPWLQRWGMG-GOSISDBHSA-N 1 2 374.393 3.236 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000141786576 495510862 /nfs/dbraw/zinc/51/08/62/495510862.db2.gz XCQBYPWLQRWGMG-GOSISDBHSA-N 1 2 374.393 3.236 20 5 FGBDLO Cc1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000125913213 495518253 /nfs/dbraw/zinc/51/82/53/495518253.db2.gz PTDREBYDYOHFCC-UHFFFAOYSA-N 1 2 350.378 3.293 20 5 FGBDLO Cc1sc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000144340319 495543648 /nfs/dbraw/zinc/54/36/48/495543648.db2.gz QXSPANCPRFTLNK-UHFFFAOYSA-N 1 2 360.370 3.220 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000182504285 495590519 /nfs/dbraw/zinc/59/05/19/495590519.db2.gz DLZMGODUJIFECD-NTCAYCPXSA-N 1 2 366.421 3.310 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065031 495708766 /nfs/dbraw/zinc/70/87/66/495708766.db2.gz JEYRCDXZWOMWLM-UHFFFAOYSA-N 1 2 356.407 3.483 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154928916 495775310 /nfs/dbraw/zinc/77/53/10/495775310.db2.gz WFTPQKPHYFWUFX-QGZVFWFLSA-N 1 2 368.437 3.418 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154928916 495775311 /nfs/dbraw/zinc/77/53/11/495775311.db2.gz WFTPQKPHYFWUFX-QGZVFWFLSA-N 1 2 368.437 3.418 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154997974 495799111 /nfs/dbraw/zinc/79/91/11/495799111.db2.gz ICVPUJBHXQRLIJ-UHFFFAOYSA-N 1 2 371.422 3.077 20 5 FGBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179965607 495803166 /nfs/dbraw/zinc/80/31/66/495803166.db2.gz SFJRPKDXTUDRKL-LLVKDONJSA-N 1 2 372.368 3.360 20 5 FGBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179965607 495803170 /nfs/dbraw/zinc/80/31/70/495803170.db2.gz SFJRPKDXTUDRKL-LLVKDONJSA-N 1 2 372.368 3.360 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179987040 495810752 /nfs/dbraw/zinc/81/07/52/495810752.db2.gz KOFZRENMXNQJHI-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179987040 495810758 /nfs/dbraw/zinc/81/07/58/495810758.db2.gz KOFZRENMXNQJHI-AAEUAGOBSA-N 1 2 374.384 3.247 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186007379 495818486 /nfs/dbraw/zinc/81/84/86/495818486.db2.gz VOBMJUFVIZWGIK-INIZCTEOSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000186007379 495818490 /nfs/dbraw/zinc/81/84/90/495818490.db2.gz VOBMJUFVIZWGIK-INIZCTEOSA-N 1 2 371.462 3.446 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186239819 495909588 /nfs/dbraw/zinc/90/95/88/495909588.db2.gz XFHAHHRUAVZCQT-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186239819 495909594 /nfs/dbraw/zinc/90/95/94/495909594.db2.gz XFHAHHRUAVZCQT-UHFFFAOYSA-N 1 2 351.406 3.389 20 5 FGBDLO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000574645071 505822971 /nfs/dbraw/zinc/82/29/71/505822971.db2.gz KFHVFCCRXFCOIB-NSHDSACASA-N 1 2 361.348 3.113 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000172148604 496185264 /nfs/dbraw/zinc/18/52/64/496185264.db2.gz NDMZZQHSMVYJTI-AWEZNQCLSA-N 1 2 365.393 3.399 20 5 FGBDLO CC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000172420985 496290920 /nfs/dbraw/zinc/29/09/20/496290920.db2.gz PITNISPQSZZNIZ-KRWDZBQOSA-N 1 2 371.422 3.292 20 5 FGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184236625 496298254 /nfs/dbraw/zinc/29/82/54/496298254.db2.gz AIPMRTLZUHOTNS-UHFFFAOYSA-N 1 2 352.362 3.293 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184236625 496298257 /nfs/dbraw/zinc/29/82/57/496298257.db2.gz AIPMRTLZUHOTNS-UHFFFAOYSA-N 1 2 352.362 3.293 20 5 FGBDLO O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178038447 496299445 /nfs/dbraw/zinc/29/94/45/496299445.db2.gz XTWJPCUTSWMFIP-MBOZVWFJSA-N 1 2 374.400 3.096 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082209 496347420 /nfs/dbraw/zinc/34/74/20/496347420.db2.gz GZKUUIFOFRNVQQ-INIZCTEOSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082209 496347428 /nfs/dbraw/zinc/34/74/28/496347428.db2.gz GZKUUIFOFRNVQQ-INIZCTEOSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181415307 496386004 /nfs/dbraw/zinc/38/60/04/496386004.db2.gz UBKBSAVBEVYIBE-GQCTYLIASA-N 1 2 365.433 3.374 20 5 FGBDLO C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153237179 496392989 /nfs/dbraw/zinc/39/29/89/496392989.db2.gz FZIIGNAZAGERHY-HOTGVXAUSA-N 1 2 367.449 3.261 20 5 FGBDLO C[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153237179 496392996 /nfs/dbraw/zinc/39/29/96/496392996.db2.gz FZIIGNAZAGERHY-HOTGVXAUSA-N 1 2 367.449 3.261 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccccc1F ZINC000153275539 496406322 /nfs/dbraw/zinc/40/63/22/496406322.db2.gz AFOVXIKMEFZNMA-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccccc1F ZINC000153275539 496406325 /nfs/dbraw/zinc/40/63/25/496406325.db2.gz AFOVXIKMEFZNMA-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO CCN(C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153297990 496411542 /nfs/dbraw/zinc/41/15/42/496411542.db2.gz VERKDNZKSARQBS-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO CCN(C(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153297990 496411546 /nfs/dbraw/zinc/41/15/46/496411546.db2.gz VERKDNZKSARQBS-HNNXBMFYSA-N 1 2 353.422 3.395 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000173027129 496524867 /nfs/dbraw/zinc/52/48/67/496524867.db2.gz IRIXXFUKLWDJHV-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO C[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184921830 496585244 /nfs/dbraw/zinc/58/52/44/496585244.db2.gz WZOXVMGHZSJCJT-ZDUSSCGKSA-N 1 2 372.400 3.149 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000184968847 496604307 /nfs/dbraw/zinc/60/43/07/496604307.db2.gz SZXCKEVXDNFYPU-NTCAYCPXSA-N 1 2 366.421 3.310 20 5 FGBDLO COc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185161486 496685871 /nfs/dbraw/zinc/68/58/71/496685871.db2.gz BBFYHUOTLAGTCE-KRWDZBQOSA-N 1 2 357.410 3.089 20 5 FGBDLO Cc1cc(N[C@H](C)C(=O)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303624 496882141 /nfs/dbraw/zinc/88/21/41/496882141.db2.gz ISFZBVNZXDSCRJ-CQSZACIVSA-N 1 2 369.425 3.173 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000578142002 505871688 /nfs/dbraw/zinc/87/16/88/505871688.db2.gz CACPGFXGMCSKQV-APPUJDCNSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000578142002 505871692 /nfs/dbraw/zinc/87/16/92/505871692.db2.gz CACPGFXGMCSKQV-APPUJDCNSA-N 1 2 356.382 3.074 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000188766432 496902013 /nfs/dbraw/zinc/90/20/13/496902013.db2.gz UFLRFUGUWBVABL-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000188766432 496902017 /nfs/dbraw/zinc/90/20/17/496902017.db2.gz UFLRFUGUWBVABL-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(Nc1ccc2c(c1)CCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195418354 496918528 /nfs/dbraw/zinc/91/85/28/496918528.db2.gz DCNBEHGFBKLLNN-UHFFFAOYSA-N 1 2 364.361 3.358 20 5 FGBDLO Cc1cc(NCCn2cnnc2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269346917 496925860 /nfs/dbraw/zinc/92/58/60/496925860.db2.gz LUDRNVKYSSBZIL-UHFFFAOYSA-N 1 2 367.413 3.187 20 5 FGBDLO CCOc1cccc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000273920467 496958292 /nfs/dbraw/zinc/95/82/92/496958292.db2.gz ZJYOQIGAIWFILT-UHFFFAOYSA-N 1 2 362.455 3.162 20 5 FGBDLO CCOc1cccc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000273920467 496958296 /nfs/dbraw/zinc/95/82/96/496958296.db2.gz ZJYOQIGAIWFILT-UHFFFAOYSA-N 1 2 362.455 3.162 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCS[C@H](C)CC1 ZINC000192176817 497024312 /nfs/dbraw/zinc/02/43/12/497024312.db2.gz IGUCNYKFVNZQTL-MNOVXSKESA-N 1 2 357.863 3.403 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCS[C@H](C)CC1 ZINC000192176817 497024317 /nfs/dbraw/zinc/02/43/17/497024317.db2.gz IGUCNYKFVNZQTL-MNOVXSKESA-N 1 2 357.863 3.403 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000248639742 497068293 /nfs/dbraw/zinc/06/82/93/497068293.db2.gz XRLBDZFAXYEZEV-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000248639742 497068296 /nfs/dbraw/zinc/06/82/96/497068296.db2.gz XRLBDZFAXYEZEV-DYVFJYSZSA-N 1 2 373.409 3.498 20 5 FGBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278422338 497109116 /nfs/dbraw/zinc/10/91/16/497109116.db2.gz IRFWLJMFJOAWGK-MRVPVSSYSA-N 1 2 365.262 3.341 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)co2)cc1 ZINC000270533382 497146359 /nfs/dbraw/zinc/14/63/59/497146359.db2.gz GAPOCEMHPNIISJ-UONOGXRCSA-N 1 2 371.315 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)co2)cc1 ZINC000270533382 497146364 /nfs/dbraw/zinc/14/63/64/497146364.db2.gz GAPOCEMHPNIISJ-UONOGXRCSA-N 1 2 371.315 3.137 20 5 FGBDLO C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000270968834 497236715 /nfs/dbraw/zinc/23/67/15/497236715.db2.gz PPHWUEMJTXARLG-ZWNOBZJWSA-N 1 2 366.219 3.036 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193075617 497294470 /nfs/dbraw/zinc/29/44/70/497294470.db2.gz MZUSIKSQTPKDBM-UHFFFAOYSA-N 1 2 354.366 3.209 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000245649013 497487775 /nfs/dbraw/zinc/48/77/75/497487775.db2.gz CWRQKIWLPSQLGR-SWLSCSKDSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000245649013 497487777 /nfs/dbraw/zinc/48/77/77/497487777.db2.gz CWRQKIWLPSQLGR-SWLSCSKDSA-N 1 2 367.377 3.110 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245946694 497581570 /nfs/dbraw/zinc/58/15/70/497581570.db2.gz KOFZRENMXNQJHI-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245946694 497581575 /nfs/dbraw/zinc/58/15/75/497581575.db2.gz KOFZRENMXNQJHI-YPMHNXCESA-N 1 2 374.384 3.247 20 5 FGBDLO CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276552968 497600027 /nfs/dbraw/zinc/60/00/27/497600027.db2.gz GKJQRKTYYXYMTP-MRXNPFEDSA-N 1 2 357.414 3.045 20 5 FGBDLO COc1cc(C[NH2+]Cc2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272511091 497647927 /nfs/dbraw/zinc/64/79/27/497647927.db2.gz WYCQYZVTWMZNCS-UHFFFAOYSA-N 1 2 373.381 3.302 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000263793416 497816177 /nfs/dbraw/zinc/81/61/77/497816177.db2.gz IJMXHCUPTRZWGA-UHFFFAOYSA-N 1 2 360.395 3.347 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000263793416 497816178 /nfs/dbraw/zinc/81/61/78/497816178.db2.gz IJMXHCUPTRZWGA-UHFFFAOYSA-N 1 2 360.395 3.347 20 5 FGBDLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000364182392 497827947 /nfs/dbraw/zinc/82/79/47/497827947.db2.gz TZGDNAOXMVJEST-OAHLLOKOSA-N 1 2 373.384 3.086 20 5 FGBDLO CSc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295897708 497846930 /nfs/dbraw/zinc/84/69/30/497846930.db2.gz NEFUGPNJDPDDRM-CQSZACIVSA-N 1 2 360.439 3.274 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)c1 ZINC000364322582 497898950 /nfs/dbraw/zinc/89/89/50/497898950.db2.gz GRERKZQOMYJJAV-OAHLLOKOSA-N 1 2 371.372 3.423 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)c1 ZINC000364322582 497898957 /nfs/dbraw/zinc/89/89/57/497898957.db2.gz GRERKZQOMYJJAV-OAHLLOKOSA-N 1 2 371.372 3.423 20 5 FGBDLO CC[C@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128338 497963690 /nfs/dbraw/zinc/96/36/90/497963690.db2.gz VUZHEFDGBXKAPQ-AAEUAGOBSA-N 1 2 357.414 3.075 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc2O1 ZINC000292349817 497981083 /nfs/dbraw/zinc/98/10/83/497981083.db2.gz HHWIYTOKCCOEQB-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc2O1 ZINC000292349817 497981089 /nfs/dbraw/zinc/98/10/89/497981089.db2.gz HHWIYTOKCCOEQB-ZDUSSCGKSA-N 1 2 366.377 3.428 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000581404019 505980470 /nfs/dbraw/zinc/98/04/70/505980470.db2.gz WEZHEAQMSWYZBE-UHFFFAOYSA-N 1 2 360.439 3.209 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000281451025 498155823 /nfs/dbraw/zinc/15/58/23/498155823.db2.gz BKWHSLGDFHEFIM-KRWDZBQOSA-N 1 2 372.425 3.252 20 5 FGBDLO COC(=O)c1cc(NCc2cn3c(cccc3C)[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000301550409 498159225 /nfs/dbraw/zinc/15/92/25/498159225.db2.gz GROCDBWVVLLHHR-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000281497343 498171035 /nfs/dbraw/zinc/17/10/35/498171035.db2.gz FIVYFYPLGIMWSZ-INIZCTEOSA-N 1 2 372.425 3.334 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000289524330 498179499 /nfs/dbraw/zinc/17/94/99/498179499.db2.gz LMPBGDMVZFWRQB-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)cc1 ZINC000289524330 498179506 /nfs/dbraw/zinc/17/95/06/498179506.db2.gz LMPBGDMVZFWRQB-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(F)c1 ZINC000285726720 498183412 /nfs/dbraw/zinc/18/34/12/498183412.db2.gz UEBMMCKQTIHIPX-NSHDSACASA-N 1 2 363.368 3.248 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(F)c1 ZINC000285726720 498183416 /nfs/dbraw/zinc/18/34/16/498183416.db2.gz UEBMMCKQTIHIPX-NSHDSACASA-N 1 2 363.368 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC000301664256 498212885 /nfs/dbraw/zinc/21/28/85/498212885.db2.gz ZDORYGZUNCXNLY-CYBMUJFWSA-N 1 2 351.309 3.249 20 5 FGBDLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959610 498225069 /nfs/dbraw/zinc/22/50/69/498225069.db2.gz AZCIJMNJBQVTTO-ZBEGNZNMSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959610 498225078 /nfs/dbraw/zinc/22/50/78/498225078.db2.gz AZCIJMNJBQVTTO-ZBEGNZNMSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(N2CC[C@@H]3OCCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301725234 498240486 /nfs/dbraw/zinc/24/04/86/498240486.db2.gz PKEMGRGLODMZSQ-RDJZCZTQSA-N 1 2 354.410 3.366 20 5 FGBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)S1 ZINC000301735508 498244551 /nfs/dbraw/zinc/24/45/51/498244551.db2.gz HETUDSADYOMARU-UHFFFAOYSA-N 1 2 371.466 3.146 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365380220 498434820 /nfs/dbraw/zinc/43/48/20/498434820.db2.gz QOHVTSRQZZLUBS-INIZCTEOSA-N 1 2 370.453 3.355 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C1CCCCC1 ZINC000332523541 498712318 /nfs/dbraw/zinc/71/23/18/498712318.db2.gz LMXQUVRVZWDMPP-UHFFFAOYSA-N 1 2 363.433 3.395 20 5 FGBDLO Cc1cnn([C@H]2CCN(c3cc(C)[nH+]c(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000290920743 498723856 /nfs/dbraw/zinc/72/38/56/498723856.db2.gz XLBJUEHHYOJIEE-KRWDZBQOSA-N 1 2 364.409 3.317 20 5 FGBDLO C[C@]12CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(F)F ZINC000298409246 498761761 /nfs/dbraw/zinc/76/17/61/498761761.db2.gz WXUNAQMIDJEGKB-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(F)F ZINC000298409246 498761763 /nfs/dbraw/zinc/76/17/63/498761763.db2.gz WXUNAQMIDJEGKB-OCCSQVGLSA-N 1 2 359.760 3.164 20 5 FGBDLO Cc1[nH+]c2n(c1C)CCN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000363485721 498845020 /nfs/dbraw/zinc/84/50/20/498845020.db2.gz BZZNLRPEDRAYDP-UHFFFAOYSA-N 1 2 367.409 3.121 20 5 FGBDLO Cc1nc2n(c1C)CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000363485721 498845025 /nfs/dbraw/zinc/84/50/25/498845025.db2.gz BZZNLRPEDRAYDP-UHFFFAOYSA-N 1 2 367.409 3.121 20 5 FGBDLO Cc1nc2n(c1C)CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000363485721 498845030 /nfs/dbraw/zinc/84/50/30/498845030.db2.gz BZZNLRPEDRAYDP-UHFFFAOYSA-N 1 2 367.409 3.121 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000372540572 499143515 /nfs/dbraw/zinc/14/35/15/499143515.db2.gz XJRKOIABEHVEJE-BWTRYIQHSA-N 1 2 370.409 3.330 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000372540572 499143517 /nfs/dbraw/zinc/14/35/17/499143517.db2.gz XJRKOIABEHVEJE-BWTRYIQHSA-N 1 2 370.409 3.330 20 5 FGBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000372910396 499193605 /nfs/dbraw/zinc/19/36/05/499193605.db2.gz YIIHMZMBLJRVJF-KSSFIOAISA-N 1 2 351.410 3.413 20 5 FGBDLO Cc1ccc(C2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)c[nH+]1 ZINC000367834346 499236850 /nfs/dbraw/zinc/23/68/50/499236850.db2.gz FXUKXJYSUCVLKI-UHFFFAOYSA-N 1 2 365.393 3.331 20 5 FGBDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CCC2 ZINC000368084649 499262642 /nfs/dbraw/zinc/26/26/42/499262642.db2.gz HFUXBHSMOUWXOK-MRXNPFEDSA-N 1 2 364.833 3.258 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000371410499 499322360 /nfs/dbraw/zinc/32/23/60/499322360.db2.gz DYVFBLNKDBYGEM-ZZXKWVIFSA-N 1 2 355.394 3.049 20 5 FGBDLO O=C(c1ccoc1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000371410499 499322361 /nfs/dbraw/zinc/32/23/61/499322361.db2.gz DYVFBLNKDBYGEM-ZZXKWVIFSA-N 1 2 355.394 3.049 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000369129421 499368324 /nfs/dbraw/zinc/36/83/24/499368324.db2.gz DUCYHTOHQHEZNA-ZDUSSCGKSA-N 1 2 366.780 3.027 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000378255801 499495233 /nfs/dbraw/zinc/49/52/33/499495233.db2.gz XRQAMVHGEDESFL-HIFRSBDPSA-N 1 2 357.414 3.038 20 5 FGBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])cn1 ZINC000378281391 499497599 /nfs/dbraw/zinc/49/75/99/499497599.db2.gz RYALQNHVPXYSHZ-UHFFFAOYSA-N 1 2 361.361 3.157 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(n4ccnn4)C3)o2)c(Cl)c1 ZINC000378536217 499529506 /nfs/dbraw/zinc/52/95/06/499529506.db2.gz BINKIVIWMRZSEH-UHFFFAOYSA-N 1 2 359.773 3.157 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000375659583 499542368 /nfs/dbraw/zinc/54/23/68/499542368.db2.gz XAOJJJPFRLNUNT-AWEZNQCLSA-N 1 2 370.331 3.287 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000383067492 499546307 /nfs/dbraw/zinc/54/63/07/499546307.db2.gz GZGUJPAZDMDXIA-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000383067492 499546308 /nfs/dbraw/zinc/54/63/08/499546308.db2.gz GZGUJPAZDMDXIA-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377817533 499738357 /nfs/dbraw/zinc/73/83/57/499738357.db2.gz UUWKGMMSLFARCS-VIFPVBQESA-N 1 2 369.303 3.016 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377817533 499738359 /nfs/dbraw/zinc/73/83/59/499738359.db2.gz UUWKGMMSLFARCS-VIFPVBQESA-N 1 2 369.303 3.016 20 5 FGBDLO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC000377964850 499751744 /nfs/dbraw/zinc/75/17/44/499751744.db2.gz WHUPXXUEAOMOPP-CMPLNLGQSA-N 1 2 369.347 3.162 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411990947 499810790 /nfs/dbraw/zinc/81/07/90/499810790.db2.gz WJIMSEUMBKHGKU-INIZCTEOSA-N 1 2 355.394 3.077 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411990947 499810792 /nfs/dbraw/zinc/81/07/92/499810792.db2.gz WJIMSEUMBKHGKU-INIZCTEOSA-N 1 2 355.394 3.077 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C(F)(F)F)c1 ZINC000413186467 499923967 /nfs/dbraw/zinc/92/39/67/499923967.db2.gz BRDRUUYKIGMGCK-GFCCVEGCSA-N 1 2 354.288 3.061 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000413263488 499933945 /nfs/dbraw/zinc/93/39/45/499933945.db2.gz LISISEWQVLRNMY-FZMZJTMJSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1cc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000413307456 499940074 /nfs/dbraw/zinc/94/00/74/499940074.db2.gz YMAVJDAKCUHCNA-UHFFFAOYSA-N 1 2 364.409 3.454 20 5 FGBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429252434 500034942 /nfs/dbraw/zinc/03/49/42/500034942.db2.gz FEEMZABNBOSTFZ-ZDUSSCGKSA-N 1 2 369.400 3.321 20 5 FGBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429252434 500034946 /nfs/dbraw/zinc/03/49/46/500034946.db2.gz FEEMZABNBOSTFZ-ZDUSSCGKSA-N 1 2 369.400 3.321 20 5 FGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000413785537 500057331 /nfs/dbraw/zinc/05/73/31/500057331.db2.gz QWIPWDLBHUWPAT-OTWHNJEPSA-N 1 2 369.396 3.011 20 5 FGBDLO Cc1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC000421557851 500080513 /nfs/dbraw/zinc/08/05/13/500080513.db2.gz MANLHJFGKHXFCR-UHFFFAOYSA-N 1 2 368.437 3.139 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C2CCCC2)C1 ZINC000421645147 500105629 /nfs/dbraw/zinc/10/56/29/500105629.db2.gz HPYIVIVTOXWQGL-INIZCTEOSA-N 1 2 354.410 3.433 20 5 FGBDLO COC(=O)[C@H](CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425450419 500109173 /nfs/dbraw/zinc/10/91/73/500109173.db2.gz VCYFPDYPRWBEGA-GOSISDBHSA-N 1 2 370.405 3.136 20 5 FGBDLO COC(=O)[C@H](CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425450419 500109178 /nfs/dbraw/zinc/10/91/78/500109178.db2.gz VCYFPDYPRWBEGA-GOSISDBHSA-N 1 2 370.405 3.136 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000430227995 500211751 /nfs/dbraw/zinc/21/17/51/500211751.db2.gz RJFAXUPNGIGKDG-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000430227995 500211753 /nfs/dbraw/zinc/21/17/53/500211753.db2.gz RJFAXUPNGIGKDG-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000431496073 500384580 /nfs/dbraw/zinc/38/45/80/500384580.db2.gz REIYOIMHUXDFKT-UHFFFAOYSA-N 1 2 354.341 3.234 20 5 FGBDLO Cc1cc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420820072 500508857 /nfs/dbraw/zinc/50/88/57/500508857.db2.gz HCNJMNFGKOMRQY-UHFFFAOYSA-N 1 2 362.817 3.302 20 5 FGBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2)c1C ZINC000428579045 500529665 /nfs/dbraw/zinc/52/96/65/500529665.db2.gz FWTPXQNMIXINJP-UHFFFAOYSA-N 1 2 352.350 3.355 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436940223 500575239 /nfs/dbraw/zinc/57/52/39/500575239.db2.gz VDYVUUXDGKWGDY-INIZCTEOSA-N 1 2 369.421 3.037 20 5 FGBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436940223 500575243 /nfs/dbraw/zinc/57/52/43/500575243.db2.gz VDYVUUXDGKWGDY-INIZCTEOSA-N 1 2 369.421 3.037 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000437530328 500656545 /nfs/dbraw/zinc/65/65/45/500656545.db2.gz UGNBCCIFUIKBLP-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000437530328 500656547 /nfs/dbraw/zinc/65/65/47/500656547.db2.gz UGNBCCIFUIKBLP-UHFFFAOYSA-N 1 2 364.348 3.319 20 5 FGBDLO CC(C)CC[C@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801402 500664372 /nfs/dbraw/zinc/66/43/72/500664372.db2.gz BZSVIXXAQOBKMD-IBGZPJMESA-N 1 2 365.474 3.026 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCNc1ccccc1 ZINC000447814600 500668151 /nfs/dbraw/zinc/66/81/51/500668151.db2.gz ZPRUMTQLRXNMKK-UHFFFAOYSA-N 1 2 370.453 3.341 20 5 FGBDLO Cc1cccc2c1CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])CC2 ZINC000447813497 500668540 /nfs/dbraw/zinc/66/85/40/500668540.db2.gz VWOLPNVUMBCUBA-UHFFFAOYSA-N 1 2 367.449 3.298 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1 ZINC000433874749 500758794 /nfs/dbraw/zinc/75/87/94/500758794.db2.gz YMLCGEWIDBTZDD-UHFFFAOYSA-N 1 2 359.430 3.088 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1 ZINC000433874749 500758795 /nfs/dbraw/zinc/75/87/95/500758795.db2.gz YMLCGEWIDBTZDD-UHFFFAOYSA-N 1 2 359.430 3.088 20 5 FGBDLO CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC000448759557 500826358 /nfs/dbraw/zinc/82/63/58/500826358.db2.gz JEZXQPFWPAGKEN-UHFFFAOYSA-N 1 2 372.410 3.083 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)nc2c1 ZINC000444599044 500863973 /nfs/dbraw/zinc/86/39/73/500863973.db2.gz SPRLYMJLKWDAQR-HNNXBMFYSA-N 1 2 356.382 3.245 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)nc2c1 ZINC000444599044 500863974 /nfs/dbraw/zinc/86/39/74/500863974.db2.gz SPRLYMJLKWDAQR-HNNXBMFYSA-N 1 2 356.382 3.245 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685659 500878533 /nfs/dbraw/zinc/87/85/33/500878533.db2.gz OZRALRNYANKFHV-ZDUSSCGKSA-N 1 2 360.414 3.025 20 5 FGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685659 500878536 /nfs/dbraw/zinc/87/85/36/500878536.db2.gz OZRALRNYANKFHV-ZDUSSCGKSA-N 1 2 360.414 3.025 20 5 FGBDLO C[C@H]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000450523800 501144218 /nfs/dbraw/zinc/14/42/18/501144218.db2.gz JTXAUBGXZAMIDA-LIRRHRJNSA-N 1 2 354.410 3.433 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717992 501156280 /nfs/dbraw/zinc/15/62/80/501156280.db2.gz WNBFHFQQNNRANA-UHFFFAOYSA-N 1 2 367.449 3.390 20 5 FGBDLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446717992 501156283 /nfs/dbraw/zinc/15/62/83/501156283.db2.gz WNBFHFQQNNRANA-UHFFFAOYSA-N 1 2 367.449 3.390 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735151 501159217 /nfs/dbraw/zinc/15/92/17/501159217.db2.gz NJQYDFPFAUSVMM-GJRWTSMGSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735151 501159221 /nfs/dbraw/zinc/15/92/21/501159221.db2.gz NJQYDFPFAUSVMM-GJRWTSMGSA-N 1 2 359.470 3.282 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nccn3Cc3ccccc3)nc2c1 ZINC000446851732 501173084 /nfs/dbraw/zinc/17/30/84/501173084.db2.gz KJCFDJCZACREDQ-UHFFFAOYSA-N 1 2 362.393 3.006 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(CNCc3[nH+]ccn3Cc3ccccc3)nc2c1 ZINC000446851732 501173088 /nfs/dbraw/zinc/17/30/88/501173088.db2.gz KJCFDJCZACREDQ-UHFFFAOYSA-N 1 2 362.393 3.006 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000446890410 501177556 /nfs/dbraw/zinc/17/75/56/501177556.db2.gz KGIYVZVBGJXUNT-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CCCCn1ncc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1C ZINC000450189495 501205535 /nfs/dbraw/zinc/20/55/35/501205535.db2.gz RHKFXJPYFYFDCF-UHFFFAOYSA-N 1 2 368.397 3.338 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cs1 ZINC000450229925 501215024 /nfs/dbraw/zinc/21/50/24/501215024.db2.gz FDRIOONCZITXQC-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2[nH+]ccn21 ZINC000450832211 501215148 /nfs/dbraw/zinc/21/51/48/501215148.db2.gz RDDPKPDPJMQWOV-DZGCQCFKSA-N 1 2 365.393 3.305 20 5 FGBDLO CCCc1ncc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000450850432 501218412 /nfs/dbraw/zinc/21/84/12/501218412.db2.gz XGXYNZSLEJJSJI-UHFFFAOYSA-N 1 2 353.382 3.335 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451024303 501240054 /nfs/dbraw/zinc/24/00/54/501240054.db2.gz NZIRSPYHAWIEOD-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451024303 501240055 /nfs/dbraw/zinc/24/00/55/501240055.db2.gz NZIRSPYHAWIEOD-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1ccc(NCCCNC(=O)NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000455562129 501334537 /nfs/dbraw/zinc/33/45/37/501334537.db2.gz RJBORXXOPKVQOE-UHFFFAOYSA-N 1 2 371.441 3.216 20 5 FGBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602653928 506247193 /nfs/dbraw/zinc/24/71/93/506247193.db2.gz RJFQDHRKBDYQEV-UHFFFAOYSA-N 1 2 357.336 3.250 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000453571224 501350435 /nfs/dbraw/zinc/35/04/35/501350435.db2.gz BNSJTVDSWSDFNL-NSCUHMNNSA-N 1 2 360.364 3.103 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000453575645 501351735 /nfs/dbraw/zinc/35/17/35/501351735.db2.gz LBAQQEHDHVACAO-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(NC1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458167132 501383301 /nfs/dbraw/zinc/38/33/01/501383301.db2.gz OJEUUWIHFWRBFH-UHFFFAOYSA-N 1 2 364.352 3.334 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456293826 501490168 /nfs/dbraw/zinc/49/01/68/501490168.db2.gz XNVLECHEDKAFHX-MAUKXSAKSA-N 1 2 352.394 3.041 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000456391084 501515734 /nfs/dbraw/zinc/51/57/34/501515734.db2.gz PCBKCNURLFNIGV-JTQLQIEISA-N 1 2 364.427 3.033 20 5 FGBDLO C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452597712 501530056 /nfs/dbraw/zinc/53/00/56/501530056.db2.gz PQZUHXFTQHIWNH-XXLXZOJFSA-N 1 2 364.405 3.065 20 5 FGBDLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000458892901 501553963 /nfs/dbraw/zinc/55/39/63/501553963.db2.gz VNCHQTPRMMETPU-ZDUSSCGKSA-N 1 2 357.414 3.030 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454522068 501568383 /nfs/dbraw/zinc/56/83/83/501568383.db2.gz QPMRDXNIXXJVNY-VIFPVBQESA-N 1 2 369.328 3.295 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])ccc2n1[C@@H](C)CO ZINC000456737866 501589996 /nfs/dbraw/zinc/58/99/96/501589996.db2.gz XLELTRVUNRNHGD-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1Br ZINC000602706889 506269007 /nfs/dbraw/zinc/26/90/07/506269007.db2.gz HBHSCNJDKDEHDL-ZDUSSCGKSA-N 1 2 361.261 3.156 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1Br ZINC000602706889 506269011 /nfs/dbraw/zinc/26/90/11/506269011.db2.gz HBHSCNJDKDEHDL-ZDUSSCGKSA-N 1 2 361.261 3.156 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470637047 501751399 /nfs/dbraw/zinc/75/13/99/501751399.db2.gz XYXCLJGHPFMNMK-JQWIXIFHSA-N 1 2 368.315 3.193 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474642398 501904788 /nfs/dbraw/zinc/90/47/88/501904788.db2.gz VUIOQLRBBDRPGD-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474642398 501904791 /nfs/dbraw/zinc/90/47/91/501904791.db2.gz VUIOQLRBBDRPGD-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000464282865 501942775 /nfs/dbraw/zinc/94/27/75/501942775.db2.gz XQGJDYHANIVQCF-UHFFFAOYSA-N 1 2 350.378 3.112 20 5 FGBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000471192454 501951203 /nfs/dbraw/zinc/95/12/03/501951203.db2.gz ZEBDHWQBBSJNFZ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000471192454 501951205 /nfs/dbraw/zinc/95/12/05/501951205.db2.gz ZEBDHWQBBSJNFZ-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000461194175 502034689 /nfs/dbraw/zinc/03/46/89/502034689.db2.gz MBOCFWNZOLMKGD-UHFFFAOYSA-N 1 2 360.439 3.340 20 5 FGBDLO CCC1(CC)C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000464581905 502035575 /nfs/dbraw/zinc/03/55/75/502035575.db2.gz KAKOZQVRFHUKLG-UHFFFAOYSA-N 1 2 351.472 3.449 20 5 FGBDLO CCC1(CC)C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000464581905 502035582 /nfs/dbraw/zinc/03/55/82/502035582.db2.gz KAKOZQVRFHUKLG-UHFFFAOYSA-N 1 2 351.472 3.449 20 5 FGBDLO O=[N+]([O-])c1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000475132156 502072238 /nfs/dbraw/zinc/07/22/38/502072238.db2.gz HHCCIVFZXQNFEB-UHFFFAOYSA-N 1 2 359.401 3.073 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000482457084 502075473 /nfs/dbraw/zinc/07/54/73/502075473.db2.gz JBUFUZLXZWVZRZ-LJQANCHMSA-N 1 2 364.442 3.154 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000482457084 502075478 /nfs/dbraw/zinc/07/54/78/502075478.db2.gz JBUFUZLXZWVZRZ-LJQANCHMSA-N 1 2 364.442 3.154 20 5 FGBDLO CCc1cc(N2CC[C@H](C(=O)OC)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000468731185 502162622 /nfs/dbraw/zinc/16/26/22/502162622.db2.gz ADJRVDXARLPAME-WBMJQRKESA-N 1 2 370.409 3.002 20 5 FGBDLO Cc1cc(SCC[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461717622 502176766 /nfs/dbraw/zinc/17/67/66/502176766.db2.gz JWPSGLJFMQUSDK-UHFFFAOYSA-N 1 2 350.362 3.346 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCc1ccccc1 ZINC000472032162 502205315 /nfs/dbraw/zinc/20/53/15/502205315.db2.gz CQFMTDBVICAACT-UHFFFAOYSA-N 1 2 355.438 3.472 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000465400891 502251302 /nfs/dbraw/zinc/25/13/02/502251302.db2.gz GBGKOCHQRFLGSE-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000465400891 502251305 /nfs/dbraw/zinc/25/13/05/502251305.db2.gz GBGKOCHQRFLGSE-LBPRGKRZSA-N 1 2 373.438 3.071 20 5 FGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005308 502443517 /nfs/dbraw/zinc/44/35/17/502443517.db2.gz XWFWDVDTRJECJI-BETUJISGSA-N 1 2 371.441 3.039 20 5 FGBDLO O=C(N1CCCC1)N1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599083232 506314457 /nfs/dbraw/zinc/31/44/57/506314457.db2.gz WAQRITJNXUOWGE-OAHLLOKOSA-N 1 2 369.425 3.235 20 5 FGBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000487903824 502562736 /nfs/dbraw/zinc/56/27/36/502562736.db2.gz AOVPZDFGBYNJFD-UHFFFAOYSA-N 1 2 353.769 3.478 20 5 FGBDLO COc1cc2c(cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OCO2 ZINC000466448338 502574194 /nfs/dbraw/zinc/57/41/94/502574194.db2.gz GGIGMHSYLRAAQF-UHFFFAOYSA-N 1 2 350.758 3.275 20 5 FGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000466473381 502580890 /nfs/dbraw/zinc/58/08/90/502580890.db2.gz KRDOQOBUZAJDMD-UHFFFAOYSA-N 1 2 355.329 3.446 20 5 FGBDLO Cn1ncc2c1CC(C)(C)CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599110618 506326779 /nfs/dbraw/zinc/32/67/79/506326779.db2.gz CPRDBFZBQXDLSI-UHFFFAOYSA-N 1 2 351.410 3.465 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140642 502675940 /nfs/dbraw/zinc/67/59/40/502675940.db2.gz GTLSXIQHDFYIMM-UHFFFAOYSA-N 1 2 359.361 3.051 20 5 FGBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599118289 506329831 /nfs/dbraw/zinc/32/98/31/506329831.db2.gz LZBUJKYRXNWVFV-OKILXGFUSA-N 1 2 369.412 3.155 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ncnn1C ZINC000474011839 502779523 /nfs/dbraw/zinc/77/95/23/502779523.db2.gz SODIURUABFGXSQ-CQSZACIVSA-N 1 2 366.425 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500574301 502817580 /nfs/dbraw/zinc/81/75/80/502817580.db2.gz WCTDEGVJVJGJTR-SFHVURJKSA-N 1 2 362.813 3.445 20 5 FGBDLO O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488947050 502844090 /nfs/dbraw/zinc/84/40/90/502844090.db2.gz RPURAEYRGDVPQO-LBPRGKRZSA-N 1 2 350.325 3.088 20 5 FGBDLO Cc1csc(CC2(O)CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000602892578 506339004 /nfs/dbraw/zinc/33/90/04/506339004.db2.gz LECMAZYJVPNMDP-UHFFFAOYSA-N 1 2 365.430 3.068 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000593019096 506339404 /nfs/dbraw/zinc/33/94/04/506339404.db2.gz PLAAXWHSTSMDOC-UHFFFAOYSA-N 1 2 361.423 3.397 20 5 FGBDLO COc1ccc(OCC[N@@H+]2[C@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061421 502924565 /nfs/dbraw/zinc/92/45/65/502924565.db2.gz FGHSCRLUBRDLCR-DNVCBOLYSA-N 1 2 372.421 3.444 20 5 FGBDLO COc1ccc(OCC[N@H+]2[C@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000501061421 502924568 /nfs/dbraw/zinc/92/45/68/502924568.db2.gz FGHSCRLUBRDLCR-DNVCBOLYSA-N 1 2 372.421 3.444 20 5 FGBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505574593 502938488 /nfs/dbraw/zinc/93/84/88/502938488.db2.gz KNPYTFZPWZFERZ-QGZVFWFLSA-N 1 2 374.384 3.248 20 5 FGBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505574593 502938492 /nfs/dbraw/zinc/93/84/92/502938492.db2.gz KNPYTFZPWZFERZ-QGZVFWFLSA-N 1 2 374.384 3.248 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000490016269 503090323 /nfs/dbraw/zinc/09/03/23/503090323.db2.gz XQSFVZJULMOQPL-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)CCO2)c1 ZINC000490016269 503090326 /nfs/dbraw/zinc/09/03/26/503090326.db2.gz XQSFVZJULMOQPL-LJQANCHMSA-N 1 2 358.394 3.186 20 5 FGBDLO O=[N+]([O-])c1ccsc1N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000588840130 506353224 /nfs/dbraw/zinc/35/32/24/506353224.db2.gz PCAPXEXZZPODKA-CYBMUJFWSA-N 1 2 360.439 3.309 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000510517951 503130666 /nfs/dbraw/zinc/13/06/66/503130666.db2.gz BQYLXTANCRJMDI-UHFFFAOYSA-N 1 2 351.328 3.334 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588844485 506354796 /nfs/dbraw/zinc/35/47/96/506354796.db2.gz LREFJACQHKUPEV-UHFFFAOYSA-N 1 2 374.466 3.138 20 5 FGBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000498380993 503174734 /nfs/dbraw/zinc/17/47/34/503174734.db2.gz SHFRKVRJAGWNSK-UHFFFAOYSA-N 1 2 351.410 3.386 20 5 FGBDLO Cc1cc(NC[C@@H]2COc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588860483 506360588 /nfs/dbraw/zinc/36/05/88/506360588.db2.gz DXBLNWKWCYSGMZ-OAHLLOKOSA-N 1 2 362.389 3.370 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649533 503362083 /nfs/dbraw/zinc/36/20/83/503362083.db2.gz QBGYYRXCAVCVCU-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511649533 503362085 /nfs/dbraw/zinc/36/20/85/503362085.db2.gz QBGYYRXCAVCVCU-JQWIXIFHSA-N 1 2 352.740 3.241 20 5 FGBDLO CCOC(=O)c1cc(NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000596355500 506368681 /nfs/dbraw/zinc/36/86/81/506368681.db2.gz BYPJEFIYHUPHRE-UHFFFAOYSA-N 1 2 370.409 3.379 20 5 FGBDLO COc1ccc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000493105810 503406642 /nfs/dbraw/zinc/40/66/42/503406642.db2.gz RSKKATNHBSZZIT-KRWDZBQOSA-N 1 2 366.377 3.188 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493157973 503410338 /nfs/dbraw/zinc/41/03/38/503410338.db2.gz ZLPOLJHMHNMOTA-KRWDZBQOSA-N 1 2 366.377 3.188 20 5 FGBDLO Cc1c(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000508468553 503500379 /nfs/dbraw/zinc/50/03/79/503500379.db2.gz MXSWCMCNYVOJKG-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)c2c1 ZINC000546396258 503733483 /nfs/dbraw/zinc/73/34/83/503733483.db2.gz TWLBCRIDTFWABR-UHFFFAOYSA-N 1 2 373.332 3.374 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000540327199 503738150 /nfs/dbraw/zinc/73/81/50/503738150.db2.gz SWPSAVXUWHTBCD-KGLIPLIRSA-N 1 2 357.414 3.038 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000536926707 503763190 /nfs/dbraw/zinc/76/31/90/503763190.db2.gz UAKIWKBDWDHYDM-CQSZACIVSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000536926707 503763194 /nfs/dbraw/zinc/76/31/94/503763194.db2.gz UAKIWKBDWDHYDM-CQSZACIVSA-N 1 2 357.414 3.019 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533427554 503840519 /nfs/dbraw/zinc/84/05/19/503840519.db2.gz XVOIBLPRTYRIQE-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533427554 503840522 /nfs/dbraw/zinc/84/05/22/503840522.db2.gz XVOIBLPRTYRIQE-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000518283521 503943129 /nfs/dbraw/zinc/94/31/29/503943129.db2.gz FXMNHJITZCZSEZ-ZDUSSCGKSA-N 1 2 373.384 3.379 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000533816641 503960551 /nfs/dbraw/zinc/96/05/51/503960551.db2.gz ZDFVXVKHJRVOGT-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518405173 503976177 /nfs/dbraw/zinc/97/61/77/503976177.db2.gz RHWZIBPYUXQJIP-BFUOFWGJSA-N 1 2 362.389 3.444 20 5 FGBDLO COc1cc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)ccc1[N+](=O)[O-] ZINC000547099034 503983332 /nfs/dbraw/zinc/98/33/32/503983332.db2.gz JSIFNKLHLBISHA-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000544077451 503998711 /nfs/dbraw/zinc/99/87/11/503998711.db2.gz QFHKOQNLJRYXJT-UHFFFAOYSA-N 1 2 371.303 3.356 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1F ZINC000534271835 504091853 /nfs/dbraw/zinc/09/18/53/504091853.db2.gz QPJMVSVGMMHEPY-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1F ZINC000534271835 504091858 /nfs/dbraw/zinc/09/18/58/504091858.db2.gz QPJMVSVGMMHEPY-LJQANCHMSA-N 1 2 369.396 3.288 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@H]2CC(=O)N(C(C)C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381687 504110264 /nfs/dbraw/zinc/11/02/64/504110264.db2.gz FAVXVSWHOYWHQH-YWZLYKJASA-N 1 2 371.437 3.439 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3ccc(CC)cn3)CC2)ccc1[N+](=O)[O-] ZINC000519005256 504117091 /nfs/dbraw/zinc/11/70/91/504117091.db2.gz OLNGVEFOTMUEIW-UHFFFAOYSA-N 1 2 370.453 3.273 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3cscn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000538448678 504249355 /nfs/dbraw/zinc/24/93/55/504249355.db2.gz STNLKTRUKUIJIV-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2[nH+]1 ZINC000548062680 504314834 /nfs/dbraw/zinc/31/48/34/504314834.db2.gz SROPCIJBRHSQAF-UHFFFAOYSA-N 1 2 364.365 3.271 20 5 FGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535052278 504328241 /nfs/dbraw/zinc/32/82/41/504328241.db2.gz YBNFPZCWBNZANA-LBPRGKRZSA-N 1 2 350.378 3.101 20 5 FGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535052278 504328247 /nfs/dbraw/zinc/32/82/47/504328247.db2.gz YBNFPZCWBNZANA-LBPRGKRZSA-N 1 2 350.378 3.101 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247263 504380682 /nfs/dbraw/zinc/38/06/82/504380682.db2.gz LVILOXILYNJABB-ADAWSYLGSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247263 504380687 /nfs/dbraw/zinc/38/06/87/504380687.db2.gz LVILOXILYNJABB-ADAWSYLGSA-N 1 2 359.470 3.282 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1[nH]ncc1Br)C1CC1 ZINC000531714235 504401237 /nfs/dbraw/zinc/40/12/37/504401237.db2.gz DHRKFNONBMQJOE-CYBMUJFWSA-N 1 2 365.231 3.191 20 5 FGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000548461133 504454810 /nfs/dbraw/zinc/45/48/10/504454810.db2.gz PLAZUBDEJPMKAJ-UHFFFAOYSA-N 1 2 362.455 3.193 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548923894 504621770 /nfs/dbraw/zinc/62/17/70/504621770.db2.gz MYBLIWXSBZMSEB-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548923894 504621771 /nfs/dbraw/zinc/62/17/71/504621771.db2.gz MYBLIWXSBZMSEB-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542913165 504655476 /nfs/dbraw/zinc/65/54/76/504655476.db2.gz GPRNOBXDHZFMPE-GOSISDBHSA-N 1 2 353.378 3.381 20 5 FGBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000546035814 504682477 /nfs/dbraw/zinc/68/24/77/504682477.db2.gz FMAFSUSPUJJTQY-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO Cc1ccc(C2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000543048577 504703246 /nfs/dbraw/zinc/70/32/46/504703246.db2.gz TXWKMFZXNUVNOX-UHFFFAOYSA-N 1 2 365.393 3.331 20 5 FGBDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000549159200 504707435 /nfs/dbraw/zinc/70/74/35/504707435.db2.gz BIIDRQHSEKVELV-UHFFFAOYSA-N 1 2 355.394 3.330 20 5 FGBDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000549159200 504707440 /nfs/dbraw/zinc/70/74/40/504707440.db2.gz BIIDRQHSEKVELV-UHFFFAOYSA-N 1 2 355.394 3.330 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543095041 504723098 /nfs/dbraw/zinc/72/30/98/504723098.db2.gz HOFQVBVRQBZDDE-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000559186096 504798397 /nfs/dbraw/zinc/79/83/97/504798397.db2.gz LJYYGYFBXYPIBF-WBVHZDCISA-N 1 2 350.321 3.198 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000549374397 504804416 /nfs/dbraw/zinc/80/44/16/504804416.db2.gz YXJFVAWBCPSSIF-SNVBAGLBSA-N 1 2 371.372 3.418 20 5 FGBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000559236942 504806216 /nfs/dbraw/zinc/80/62/16/504806216.db2.gz YLVNQJTYLDQLAE-UHFFFAOYSA-N 1 2 351.366 3.177 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000553604255 504960855 /nfs/dbraw/zinc/96/08/55/504960855.db2.gz KOIZMHFSLIGLGK-LLVKDONJSA-N 1 2 352.192 3.049 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000553634840 504968670 /nfs/dbraw/zinc/96/86/70/504968670.db2.gz BWNZGOCTXLACPD-UHFFFAOYSA-N 1 2 369.406 3.209 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556858296 504997275 /nfs/dbraw/zinc/99/72/75/504997275.db2.gz KFKGSNTZBRIGTP-SFHVURJKSA-N 1 2 352.394 3.086 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000565967994 505041090 /nfs/dbraw/zinc/04/10/90/505041090.db2.gz BKKFGEFBDAQKSQ-MLGOLLRUSA-N 1 2 357.414 3.148 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000560622275 505147330 /nfs/dbraw/zinc/14/73/30/505147330.db2.gz IPIFQPYHVFTMHJ-ARJAWSKDSA-N 1 2 369.396 3.205 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000561041281 505235736 /nfs/dbraw/zinc/23/57/36/505235736.db2.gz NNFPCOAYEWTCBU-FQEVSTJZSA-N 1 2 356.422 3.118 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000561041281 505235740 /nfs/dbraw/zinc/23/57/40/505235740.db2.gz NNFPCOAYEWTCBU-FQEVSTJZSA-N 1 2 356.422 3.118 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552129290 505409559 /nfs/dbraw/zinc/40/95/59/505409559.db2.gz IQRREYPLCFSSEV-LLVKDONJSA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552129290 505409564 /nfs/dbraw/zinc/40/95/64/505409564.db2.gz IQRREYPLCFSSEV-LLVKDONJSA-N 1 2 366.311 3.478 20 5 FGBDLO COc1ccc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000552275336 505447117 /nfs/dbraw/zinc/44/71/17/505447117.db2.gz RZDAOWPMKULQEO-SFHVURJKSA-N 1 2 370.384 3.355 20 5 FGBDLO CN(C)c1ccccc1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552275159 505447813 /nfs/dbraw/zinc/44/78/13/505447813.db2.gz MZCUDOBIALMCIF-IBGZPJMESA-N 1 2 365.437 3.274 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000599261176 506390645 /nfs/dbraw/zinc/39/06/45/506390645.db2.gz PIZSOLLHEOWTKH-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000589511310 506573593 /nfs/dbraw/zinc/57/35/93/506573593.db2.gz CYLQQEYAXUMAAB-GOSISDBHSA-N 1 2 362.426 3.163 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000589511310 506573602 /nfs/dbraw/zinc/57/36/02/506573602.db2.gz CYLQQEYAXUMAAB-GOSISDBHSA-N 1 2 362.426 3.163 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593467444 506637389 /nfs/dbraw/zinc/63/73/89/506637389.db2.gz MRWHJTCFBMQDPS-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccn1 ZINC000603858628 506639516 /nfs/dbraw/zinc/63/95/16/506639516.db2.gz MXDUSFADEXFHSA-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccn1 ZINC000603858628 506639520 /nfs/dbraw/zinc/63/95/20/506639520.db2.gz MXDUSFADEXFHSA-UHFFFAOYSA-N 1 2 353.382 3.450 20 5 FGBDLO CCNc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000612591427 506640658 /nfs/dbraw/zinc/64/06/58/506640658.db2.gz WXWHFTMZKHGXEF-IBGZPJMESA-N 1 2 368.437 3.156 20 5 FGBDLO CCNc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000612591427 506640666 /nfs/dbraw/zinc/64/06/66/506640666.db2.gz WXWHFTMZKHGXEF-IBGZPJMESA-N 1 2 368.437 3.156 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000603934005 506663379 /nfs/dbraw/zinc/66/33/79/506663379.db2.gz AMTFWHHDWZFABJ-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO CCOC(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000600113254 506781244 /nfs/dbraw/zinc/78/12/44/506781244.db2.gz XMYXXLDOTFJRPE-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO CCOC(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000600113254 506781249 /nfs/dbraw/zinc/78/12/49/506781249.db2.gz XMYXXLDOTFJRPE-UHFFFAOYSA-N 1 2 355.394 3.331 20 5 FGBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC3 ZINC000609196078 506810103 /nfs/dbraw/zinc/81/01/03/506810103.db2.gz WUEKGUJUALHRJW-UHFFFAOYSA-N 1 2 364.405 3.042 20 5 FGBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC3 ZINC000609196078 506810107 /nfs/dbraw/zinc/81/01/07/506810107.db2.gz WUEKGUJUALHRJW-UHFFFAOYSA-N 1 2 364.405 3.042 20 5 FGBDLO COc1cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c([N+](=O)[O-])cc1OC ZINC000604484747 506844911 /nfs/dbraw/zinc/84/49/11/506844911.db2.gz QSZFBBCICGOYAV-UHFFFAOYSA-N 1 2 368.349 3.254 20 5 FGBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000609417839 506877368 /nfs/dbraw/zinc/87/73/68/506877368.db2.gz MDTNOJYOPRSIIE-UHFFFAOYSA-N 1 2 354.403 3.323 20 5 FGBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000609417839 506877375 /nfs/dbraw/zinc/87/73/75/506877375.db2.gz MDTNOJYOPRSIIE-UHFFFAOYSA-N 1 2 354.403 3.323 20 5 FGBDLO O=[N+]([O-])c1sccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564171 506923061 /nfs/dbraw/zinc/92/30/61/506923061.db2.gz PEEYQLRVGYIYRA-OAHLLOKOSA-N 1 2 367.858 3.165 20 5 FGBDLO Cc1c(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000609664383 506966815 /nfs/dbraw/zinc/96/68/15/506966815.db2.gz VLPOKXJRHUATAH-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1cn2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000610032529 507077469 /nfs/dbraw/zinc/07/74/69/507077469.db2.gz JGSHZHDUESJFPF-UHFFFAOYSA-N 1 2 366.786 3.005 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000610453641 507245971 /nfs/dbraw/zinc/24/59/71/507245971.db2.gz NCDBAFUXLLCTDR-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cn(C3CCC3)nn2)cc(C(F)(F)F)c1 ZINC000594939564 507323402 /nfs/dbraw/zinc/32/34/02/507323402.db2.gz SRJJXUCPYADJQV-UHFFFAOYSA-N 1 2 355.320 3.220 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601299507 507326303 /nfs/dbraw/zinc/32/63/03/507326303.db2.gz MPLXLRSNRWRUHE-QGZVFWFLSA-N 1 2 352.398 3.063 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591843155 507387596 /nfs/dbraw/zinc/38/75/96/507387596.db2.gz BVTCAYZBUUJVKE-CQSZACIVSA-N 1 2 365.231 3.391 20 5 FGBDLO CCOC(=O)Cc1ccc(NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])c1 ZINC000591914850 507407042 /nfs/dbraw/zinc/40/70/42/507407042.db2.gz KATMCBWUKKRNJA-UHFFFAOYSA-N 1 2 360.414 3.165 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610964201 507457958 /nfs/dbraw/zinc/45/79/58/507457958.db2.gz CNCJPHMNCMMQCI-ZDUSSCGKSA-N 1 2 368.315 3.287 20 5 FGBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000595419445 507488410 /nfs/dbraw/zinc/48/84/10/507488410.db2.gz XQRKGRFKWPRDJK-LBPRGKRZSA-N 1 2 359.304 3.387 20 5 FGBDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000592158722 507516113 /nfs/dbraw/zinc/51/61/13/507516113.db2.gz IPDRWZRTTXKFKE-UHFFFAOYSA-N 1 2 350.415 3.244 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCn3c[nH+]cc3C2)cc1OC ZINC000595490528 507528348 /nfs/dbraw/zinc/52/83/48/507528348.db2.gz NWEQLPRAHSPZBH-CQSZACIVSA-N 1 2 374.441 3.241 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500795 507533074 /nfs/dbraw/zinc/53/30/74/507533074.db2.gz LTHPLAGGINDFGB-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500795 507533079 /nfs/dbraw/zinc/53/30/79/507533079.db2.gz LTHPLAGGINDFGB-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974494 507536782 /nfs/dbraw/zinc/53/67/82/507536782.db2.gz KHRLFQPWRDPZRH-GFCCVEGCSA-N 1 2 365.174 3.213 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601974494 507536789 /nfs/dbraw/zinc/53/67/89/507536789.db2.gz KHRLFQPWRDPZRH-GFCCVEGCSA-N 1 2 365.174 3.213 20 5 FGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000595520951 507542056 /nfs/dbraw/zinc/54/20/56/507542056.db2.gz UDWHMPOCWOEOEK-UHFFFAOYSA-N 1 2 360.414 3.211 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595615446 507591187 /nfs/dbraw/zinc/59/11/87/507591187.db2.gz MZYXFLXMEZXXGY-CYBMUJFWSA-N 1 2 373.409 3.403 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1CNc1ccc(-n3cc[nH+]c3)cc1)OCCO2 ZINC000611287885 507605155 /nfs/dbraw/zinc/60/51/55/507605155.db2.gz XBGHNPVNJQKPCL-UHFFFAOYSA-N 1 2 352.350 3.164 20 5 FGBDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611384859 507652816 /nfs/dbraw/zinc/65/28/16/507652816.db2.gz KPOIOJOVILXYMW-OAHLLOKOSA-N 1 2 368.393 3.045 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)nc2c1 ZINC000611407010 507668115 /nfs/dbraw/zinc/66/81/15/507668115.db2.gz RUOFFXNDPPGCQD-UHFFFAOYSA-N 1 2 353.334 3.244 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000602486320 507724056 /nfs/dbraw/zinc/72/40/56/507724056.db2.gz SYIYAMZZDIEYEF-SKDRFNHKSA-N 1 2 361.261 3.420 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000602486320 507724059 /nfs/dbraw/zinc/72/40/59/507724059.db2.gz SYIYAMZZDIEYEF-SKDRFNHKSA-N 1 2 361.261 3.420 20 5 FGBDLO Cc1cccn2cc(CCNc3ncnc4sc([N+](=O)[O-])cc43)[nH+]c12 ZINC000587990091 507725872 /nfs/dbraw/zinc/72/58/72/507725872.db2.gz YNWBLGCLDMLIQR-UHFFFAOYSA-N 1 2 354.395 3.210 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554127 507735431 /nfs/dbraw/zinc/73/54/31/507735431.db2.gz FHMKGHXUIGYUGA-NEPJUHHUSA-N 1 2 359.348 3.220 20 5 FGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611554127 507735438 /nfs/dbraw/zinc/73/54/38/507735438.db2.gz FHMKGHXUIGYUGA-NEPJUHHUSA-N 1 2 359.348 3.220 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nccn1C(F)F ZINC000602526576 507738054 /nfs/dbraw/zinc/73/80/54/507738054.db2.gz DTOJJTJRRZUFAM-UHFFFAOYSA-N 1 2 350.247 3.495 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000611560854 507739244 /nfs/dbraw/zinc/73/92/44/507739244.db2.gz QPPLZPIUPSTHFR-INIZCTEOSA-N 1 2 357.801 3.256 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CC1 ZINC000826500347 608412727 /nfs/dbraw/zinc/41/27/27/608412727.db2.gz VFZJRMMAZBKNCZ-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CC1 ZINC000826500347 608412729 /nfs/dbraw/zinc/41/27/29/608412729.db2.gz VFZJRMMAZBKNCZ-UHFFFAOYSA-N 1 2 368.372 3.079 20 5 FGBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Cl ZINC000051451818 695911684 /nfs/dbraw/zinc/91/16/84/695911684.db2.gz OZLYGTKUNKGKAE-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Cl ZINC000051451818 695911685 /nfs/dbraw/zinc/91/16/85/695911685.db2.gz OZLYGTKUNKGKAE-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124554030 700721699 /nfs/dbraw/zinc/72/16/99/700721699.db2.gz IQEKXGQLQJDEKH-UHFFFAOYSA-N 1 2 355.803 3.167 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174654684 705513090 /nfs/dbraw/zinc/51/30/90/705513090.db2.gz ICXVTFLDFWSYQW-GOSISDBHSA-N 1 2 361.829 3.104 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H](OC(F)F)C3)c2)c1 ZINC000781153690 724532808 /nfs/dbraw/zinc/53/28/08/724532808.db2.gz YZILEWMIISDVGX-OAHLLOKOSA-N 1 2 352.341 3.119 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@@H](OC(F)F)C3)c2)c1 ZINC000781153690 724532811 /nfs/dbraw/zinc/53/28/11/724532811.db2.gz YZILEWMIISDVGX-OAHLLOKOSA-N 1 2 352.341 3.119 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782476016 724673101 /nfs/dbraw/zinc/67/31/01/724673101.db2.gz RUKQDXDSKFMODG-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782476016 724673102 /nfs/dbraw/zinc/67/31/02/724673102.db2.gz RUKQDXDSKFMODG-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO CCC(CC)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)SC ZINC000742838775 722560512 /nfs/dbraw/zinc/56/05/12/722560512.db2.gz DUPOVGPVCPUKML-UHFFFAOYSA-N 1 2 362.455 3.432 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000749287924 722723382 /nfs/dbraw/zinc/72/33/82/722723382.db2.gz ROIICZCRXFNGSD-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000749287924 722723383 /nfs/dbraw/zinc/72/33/83/722723383.db2.gz ROIICZCRXFNGSD-UHFFFAOYSA-N 1 2 350.369 3.309 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000796294732 723630965 /nfs/dbraw/zinc/63/09/65/723630965.db2.gz MGANEPDAQWWKAM-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000796294732 723630968 /nfs/dbraw/zinc/63/09/68/723630968.db2.gz MGANEPDAQWWKAM-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796296681 723631090 /nfs/dbraw/zinc/63/10/90/723631090.db2.gz YFXWMQSOJQPDQK-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000796296681 723631091 /nfs/dbraw/zinc/63/10/91/723631091.db2.gz YFXWMQSOJQPDQK-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000775557903 724000217 /nfs/dbraw/zinc/00/02/17/724000217.db2.gz JYAOCLPTDJXKIR-NSHDSACASA-N 1 2 355.822 3.076 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579631 724161792 /nfs/dbraw/zinc/16/17/92/724161792.db2.gz NZSURQNZUNEVGK-QZTJIDSGSA-N 1 2 362.813 3.355 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000776579631 724161794 /nfs/dbraw/zinc/16/17/94/724161794.db2.gz NZSURQNZUNEVGK-QZTJIDSGSA-N 1 2 362.813 3.355 20 5 FGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000786829028 725002518 /nfs/dbraw/zinc/00/25/18/725002518.db2.gz VXARDJZBLNOKAX-UHFFFAOYSA-N 1 2 360.844 3.003 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805774364 725093916 /nfs/dbraw/zinc/09/39/16/725093916.db2.gz ILSYDCHJCKLSGG-CYBMUJFWSA-N 1 2 353.394 3.225 20 5 FGBDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805774364 725093917 /nfs/dbraw/zinc/09/39/17/725093917.db2.gz ILSYDCHJCKLSGG-CYBMUJFWSA-N 1 2 353.394 3.225 20 5 FGBDLO Cc1nn(C[NH+]2CCC(CC(F)(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000789532689 725135033 /nfs/dbraw/zinc/13/50/33/725135033.db2.gz ZFHZELCJQPKBGS-UHFFFAOYSA-N 1 2 357.336 3.270 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809709940 725261411 /nfs/dbraw/zinc/26/14/11/725261411.db2.gz VTZVPQMMQNLNPJ-CYBMUJFWSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809709940 725261412 /nfs/dbraw/zinc/26/14/12/725261412.db2.gz VTZVPQMMQNLNPJ-CYBMUJFWSA-N 1 2 355.822 3.301 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1Cl ZINC000816840032 727199865 /nfs/dbraw/zinc/19/98/65/727199865.db2.gz XTRYKMSZPVXVIL-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844440256 730718867 /nfs/dbraw/zinc/71/88/67/730718867.db2.gz QRKYVSYWYJPFDV-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844440256 730718869 /nfs/dbraw/zinc/71/88/69/730718869.db2.gz QRKYVSYWYJPFDV-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO C[C@@H](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845287527 730827641 /nfs/dbraw/zinc/82/76/41/730827641.db2.gz WMRMSDDQDRWBHL-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511960 731716044 /nfs/dbraw/zinc/71/60/44/731716044.db2.gz WMZRRASBKBPGDP-GHMZBOCLSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853511960 731716045 /nfs/dbraw/zinc/71/60/45/731716045.db2.gz WMZRRASBKBPGDP-GHMZBOCLSA-N 1 2 355.320 3.084 20 5 FGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877828043 736732540 /nfs/dbraw/zinc/73/25/40/736732540.db2.gz DLMUUGKVNWLADE-MRVPVSSYSA-N 1 2 357.233 3.368 20 5 FGBDLO O=C(C[NH+]1CCC2(CCCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880457815 737176284 /nfs/dbraw/zinc/17/62/84/737176284.db2.gz ZWYJULIOQULPGN-UHFFFAOYSA-N 1 2 367.833 3.222 20 5 FGBDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])nn1C ZINC000883295902 737548365 /nfs/dbraw/zinc/54/83/65/737548365.db2.gz XEDQWJAPBFSCBF-JTQLQIEISA-N 1 2 353.220 3.250 20 5 FGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888284977 739496302 /nfs/dbraw/zinc/49/63/02/739496302.db2.gz QHPKKGIQJBPJEU-LLVKDONJSA-N 1 2 363.805 3.312 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891533430 739912396 /nfs/dbraw/zinc/91/23/96/739912396.db2.gz ZVZQTQMGTDMKFR-HUUCEWRRSA-N 1 2 358.797 3.314 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891533430 739912399 /nfs/dbraw/zinc/91/23/99/739912399.db2.gz ZVZQTQMGTDMKFR-HUUCEWRRSA-N 1 2 358.797 3.314 20 5 FGBDLO COc1c(O)ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000893120481 742113105 /nfs/dbraw/zinc/11/31/05/742113105.db2.gz ZIBMEGJBRYVPGK-GFCCVEGCSA-N 1 2 350.758 3.186 20 5 FGBDLO COc1cc(NCc2nc(C[NH+](C)C)cs2)c(Cl)cc1[N+](=O)[O-] ZINC000895479290 742416879 /nfs/dbraw/zinc/41/68/79/742416879.db2.gz OYUXXAPLJQALKG-UHFFFAOYSA-N 1 2 356.835 3.387 20 5 FGBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000906560283 744143077 /nfs/dbraw/zinc/14/30/77/744143077.db2.gz VECVYNMOLRRCGL-HNNXBMFYSA-N 1 2 362.817 3.241 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000933708151 761458180 /nfs/dbraw/zinc/45/81/80/761458180.db2.gz HHVGFOGJTDYLAT-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000933708151 761458183 /nfs/dbraw/zinc/45/81/83/761458183.db2.gz HHVGFOGJTDYLAT-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1)Nc1ccccc1 ZINC000029587031 493845775 /nfs/dbraw/zinc/84/57/75/493845775.db2.gz UPTBARWERMNBEF-UHFFFAOYSA-N 1 2 372.400 3.249 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000029660465 493850204 /nfs/dbraw/zinc/85/02/04/493850204.db2.gz JTYLJGYQYVKCDS-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773319 493857973 /nfs/dbraw/zinc/85/79/73/493857973.db2.gz OCXMCRVYAJRTTC-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773319 493857977 /nfs/dbraw/zinc/85/79/77/493857977.db2.gz OCXMCRVYAJRTTC-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000058824333 493887539 /nfs/dbraw/zinc/88/75/39/493887539.db2.gz NLMKVZGYHRQCJD-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076461374 493897368 /nfs/dbraw/zinc/89/73/68/493897368.db2.gz STPUFZUODTWADP-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050314188 493909417 /nfs/dbraw/zinc/90/94/17/493909417.db2.gz SEKPQFNGUKEYRC-UHFFFAOYSA-N 1 2 369.406 3.432 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000051212105 493954469 /nfs/dbraw/zinc/95/44/69/493954469.db2.gz FXNQDADUGDMXOI-RMKNXTFCSA-N 1 2 367.449 3.305 20 5 FGBDLO CC(=O)c1ccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000052245261 494013923 /nfs/dbraw/zinc/01/39/23/494013923.db2.gz ZQXTYHAAIKBWOG-ZDUSSCGKSA-N 1 2 370.409 3.030 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000032775912 494015024 /nfs/dbraw/zinc/01/50/24/494015024.db2.gz XNTQTBUZYVVDPZ-INIZCTEOSA-N 1 2 372.377 3.223 20 5 FGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000063254584 494036140 /nfs/dbraw/zinc/03/61/40/494036140.db2.gz XGMXNEBVEYVLDV-UHFFFAOYSA-N 1 2 357.301 3.440 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000052821748 494065084 /nfs/dbraw/zinc/06/50/84/494065084.db2.gz NYLDXPUQQTUVJB-OAHLLOKOSA-N 1 2 374.397 3.066 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000052821748 494065085 /nfs/dbraw/zinc/06/50/85/494065085.db2.gz NYLDXPUQQTUVJB-OAHLLOKOSA-N 1 2 374.397 3.066 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008134469 494070550 /nfs/dbraw/zinc/07/05/50/494070550.db2.gz NQCZKGFPWFYRHV-UHFFFAOYSA-N 1 2 358.785 3.336 20 5 FGBDLO Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000053399301 494125476 /nfs/dbraw/zinc/12/54/76/494125476.db2.gz WKTPDYFBXBZYAW-HNNXBMFYSA-N 1 2 367.365 3.054 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000086167892 494143010 /nfs/dbraw/zinc/14/30/10/494143010.db2.gz ZQZJVRCGWQBNPS-GOSISDBHSA-N 1 2 369.421 3.051 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000086167892 494143016 /nfs/dbraw/zinc/14/30/16/494143016.db2.gz ZQZJVRCGWQBNPS-GOSISDBHSA-N 1 2 369.421 3.051 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000010341959 494151145 /nfs/dbraw/zinc/15/11/45/494151145.db2.gz QHIZIGBMKRGPTF-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000010341959 494151148 /nfs/dbraw/zinc/15/11/48/494151148.db2.gz QHIZIGBMKRGPTF-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000087133429 494175826 /nfs/dbraw/zinc/17/58/26/494175826.db2.gz NAZCSWHCKXFBEF-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000054127551 494198200 /nfs/dbraw/zinc/19/82/00/494198200.db2.gz ISCXYMOMEGOTNU-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000054668146 494258278 /nfs/dbraw/zinc/25/82/78/494258278.db2.gz OUQHDDIXYBMQLP-KRWDZBQOSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000054668146 494258282 /nfs/dbraw/zinc/25/82/82/494258282.db2.gz OUQHDDIXYBMQLP-KRWDZBQOSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000072837174 494261643 /nfs/dbraw/zinc/26/16/43/494261643.db2.gz MYEIGCHQBYZMHR-LRDDRELGSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072837174 494261646 /nfs/dbraw/zinc/26/16/46/494261646.db2.gz MYEIGCHQBYZMHR-LRDDRELGSA-N 1 2 367.471 3.004 20 5 FGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089933734 494405423 /nfs/dbraw/zinc/40/54/23/494405423.db2.gz WARRQBVJGUVWAV-QGZVFWFLSA-N 1 2 367.409 3.493 20 5 FGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089933734 494405430 /nfs/dbraw/zinc/40/54/30/494405430.db2.gz WARRQBVJGUVWAV-QGZVFWFLSA-N 1 2 367.409 3.493 20 5 FGBDLO COc1cc(C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055818016 494411212 /nfs/dbraw/zinc/41/12/12/494411212.db2.gz MPSNPTOSUQZBEA-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO CC(C)(C)c1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000055974783 494437094 /nfs/dbraw/zinc/43/70/94/494437094.db2.gz VYFNVGOMCUXAIF-UHFFFAOYSA-N 1 2 372.410 3.182 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000067658269 494600429 /nfs/dbraw/zinc/60/04/29/494600429.db2.gz VRNWBIAQFUUJIB-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000067744127 494631335 /nfs/dbraw/zinc/63/13/35/494631335.db2.gz XRVDCUQJJDCBNU-CQSZACIVSA-N 1 2 371.462 3.207 20 5 FGBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000047265850 494668640 /nfs/dbraw/zinc/66/86/40/494668640.db2.gz RQKUMHCWNCFYRL-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO Cc1cccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000121275861 494678205 /nfs/dbraw/zinc/67/82/05/494678205.db2.gz SZXHDKIHBSOVNC-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000116103184 494702338 /nfs/dbraw/zinc/70/23/38/494702338.db2.gz JHHBAMOMTWQWPC-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000047514545 494724318 /nfs/dbraw/zinc/72/43/18/494724318.db2.gz GEDUDKUVAYLNRV-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554876 494793104 /nfs/dbraw/zinc/79/31/04/494793104.db2.gz GAQNRPJQJYMXDS-STQMWFEESA-N 1 2 360.439 3.205 20 5 FGBDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348592 494820211 /nfs/dbraw/zinc/82/02/11/494820211.db2.gz VHOVXPGIURASCM-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348592 494820214 /nfs/dbraw/zinc/82/02/14/494820214.db2.gz VHOVXPGIURASCM-CQSZACIVSA-N 1 2 357.410 3.453 20 5 FGBDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711532 494834967 /nfs/dbraw/zinc/83/49/67/494834967.db2.gz MWTBOQHNXCCHRR-HNNXBMFYSA-N 1 2 355.394 3.337 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000132413999 494870629 /nfs/dbraw/zinc/87/06/29/494870629.db2.gz KYPWABVXJBOHKA-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000132413999 494870632 /nfs/dbraw/zinc/87/06/32/494870632.db2.gz KYPWABVXJBOHKA-UHFFFAOYSA-N 1 2 353.325 3.232 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000121876917 494880348 /nfs/dbraw/zinc/88/03/48/494880348.db2.gz OYMIHROKDKPVFB-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127454167 494947034 /nfs/dbraw/zinc/94/70/34/494947034.db2.gz RPFZCOBXAVRCQU-SJORKVTESA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127454167 494947036 /nfs/dbraw/zinc/94/70/36/494947036.db2.gz RPFZCOBXAVRCQU-SJORKVTESA-N 1 2 361.348 3.048 20 5 FGBDLO CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128248756 495067180 /nfs/dbraw/zinc/06/71/80/495067180.db2.gz RKKCUQKAYCIPQK-INIZCTEOSA-N 1 2 365.393 3.399 20 5 FGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000119104712 495093914 /nfs/dbraw/zinc/09/39/14/495093914.db2.gz MOCPGHBMYZQKJD-NSHDSACASA-N 1 2 373.365 3.081 20 5 FGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000119104712 495093918 /nfs/dbraw/zinc/09/39/18/495093918.db2.gz MOCPGHBMYZQKJD-NSHDSACASA-N 1 2 373.365 3.081 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000123244354 495102639 /nfs/dbraw/zinc/10/26/39/495102639.db2.gz XIOFUAKKRKHTKA-MLGOLLRUSA-N 1 2 360.439 3.237 20 5 FGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129205365 495210777 /nfs/dbraw/zinc/21/07/77/495210777.db2.gz NARSQTDPIZUPDD-AWEZNQCLSA-N 1 2 359.451 3.104 20 5 FGBDLO Cn1c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2[nH+]c1C1CC1 ZINC000129562039 495262756 /nfs/dbraw/zinc/26/27/56/495262756.db2.gz BWWJXWHVVFKACU-UHFFFAOYSA-N 1 2 369.356 3.333 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000103974895 495263388 /nfs/dbraw/zinc/26/33/88/495263388.db2.gz RPHQBOPFJSMTAV-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO NC(=O)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113317692 495295537 /nfs/dbraw/zinc/29/55/37/495295537.db2.gz XMUBHFCUTIRIEA-UHFFFAOYSA-N 1 2 368.418 3.107 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120063145 495299372 /nfs/dbraw/zinc/29/93/72/495299372.db2.gz UAQCADHDUJLMSU-GXTWGEPZSA-N 1 2 369.849 3.322 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120063145 495299373 /nfs/dbraw/zinc/29/93/73/495299373.db2.gz UAQCADHDUJLMSU-GXTWGEPZSA-N 1 2 369.849 3.322 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000120242487 495334068 /nfs/dbraw/zinc/33/40/68/495334068.db2.gz UTSLODGCPMQBBO-UHFFFAOYSA-N 1 2 353.382 3.224 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccncc3)C3CC3)n2)cc1 ZINC000124854281 495354744 /nfs/dbraw/zinc/35/47/44/495354744.db2.gz MXOVGKXYEIXKDB-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccncc3)C3CC3)n2)cc1 ZINC000124854281 495354746 /nfs/dbraw/zinc/35/47/46/495354746.db2.gz MXOVGKXYEIXKDB-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000115161487 495469817 /nfs/dbraw/zinc/46/98/17/495469817.db2.gz YGEVUIPZIZAYRS-ZDUSSCGKSA-N 1 2 360.439 3.089 20 5 FGBDLO Cc1cc(C)n2c(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc2n1 ZINC000154311087 495576599 /nfs/dbraw/zinc/57/65/99/495576599.db2.gz PICXHASETXNAJO-UHFFFAOYSA-N 1 2 351.410 3.419 20 5 FGBDLO Cc1cc(C)n2c(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc2n1 ZINC000154311087 495576602 /nfs/dbraw/zinc/57/66/02/495576602.db2.gz PICXHASETXNAJO-UHFFFAOYSA-N 1 2 351.410 3.419 20 5 FGBDLO CN(CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccccc1[N+](=O)[O-] ZINC000173632845 495622962 /nfs/dbraw/zinc/62/29/62/495622962.db2.gz YLHYBMQPTIRUJC-UHFFFAOYSA-N 1 2 365.393 3.070 20 5 FGBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000179562535 495641931 /nfs/dbraw/zinc/64/19/31/495641931.db2.gz YQMAILMBLNQJLF-QGZVFWFLSA-N 1 2 357.385 3.187 20 5 FGBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128129 495734371 /nfs/dbraw/zinc/73/43/71/495734371.db2.gz QNAAORCUQXCDEL-LLVKDONJSA-N 1 2 362.357 3.460 20 5 FGBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180271138 495931728 /nfs/dbraw/zinc/93/17/28/495931728.db2.gz GNXHFOJBPKNABY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180271138 495931733 /nfs/dbraw/zinc/93/17/33/495931733.db2.gz GNXHFOJBPKNABY-UHFFFAOYSA-N 1 2 360.801 3.246 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)cn1 ZINC000568946380 505814294 /nfs/dbraw/zinc/81/42/94/505814294.db2.gz WEOFOJIJDKGSQX-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO Cc1cnc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)s1 ZINC000174544852 496001899 /nfs/dbraw/zinc/00/18/99/496001899.db2.gz JRZQJBRTEIYNMZ-HNNXBMFYSA-N 1 2 361.423 3.467 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494605 496019980 /nfs/dbraw/zinc/01/99/80/496019980.db2.gz IGIZAORAJXCBMU-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494605 496019983 /nfs/dbraw/zinc/01/99/83/496019983.db2.gz IGIZAORAJXCBMU-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174758206 496093212 /nfs/dbraw/zinc/09/32/12/496093212.db2.gz TXBQKPQSFINRJV-UHFFFAOYSA-N 1 2 362.455 3.429 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000171969341 496112676 /nfs/dbraw/zinc/11/26/76/496112676.db2.gz ZSGWABDXQYOHEK-UHFFFAOYSA-N 1 2 353.338 3.320 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174864774 496138701 /nfs/dbraw/zinc/13/87/01/496138701.db2.gz BZGLLHGJGRSPQH-UHFFFAOYSA-N 1 2 368.437 3.295 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000177781052 496192279 /nfs/dbraw/zinc/19/22/79/496192279.db2.gz KNTHAQJKSZGOJI-KEYYUXOJSA-N 1 2 357.414 3.145 20 5 FGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000172168186 496192766 /nfs/dbraw/zinc/19/27/66/496192766.db2.gz JNHDMTMUCACSHU-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000172168186 496192768 /nfs/dbraw/zinc/19/27/68/496192768.db2.gz JNHDMTMUCACSHU-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187048961 496268342 /nfs/dbraw/zinc/26/83/42/496268342.db2.gz XWEAPUKSXKUWGL-CQSZACIVSA-N 1 2 351.453 3.220 20 5 FGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187048961 496268347 /nfs/dbraw/zinc/26/83/47/496268347.db2.gz XWEAPUKSXKUWGL-CQSZACIVSA-N 1 2 351.453 3.220 20 5 FGBDLO Cn1cc(C[N@H+](C)Cc2ncc(Cl)n2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181150439 496289008 /nfs/dbraw/zinc/28/90/08/496289008.db2.gz KWBCPYOIUHHWGX-UHFFFAOYSA-N 1 2 374.832 3.014 20 5 FGBDLO Cn1cc(C[N@@H+](C)Cc2ncc(Cl)n2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181150439 496289015 /nfs/dbraw/zinc/28/90/15/496289015.db2.gz KWBCPYOIUHHWGX-UHFFFAOYSA-N 1 2 374.832 3.014 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175245567 496305397 /nfs/dbraw/zinc/30/53/97/496305397.db2.gz XWQYLRGZFNOVNU-WDEREUQCSA-N 1 2 364.427 3.046 20 5 FGBDLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157313931 496452987 /nfs/dbraw/zinc/45/29/87/496452987.db2.gz KIRVIOBQSZSLJT-UHFFFAOYSA-N 1 2 368.846 3.126 20 5 FGBDLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000157313931 496452990 /nfs/dbraw/zinc/45/29/90/496452990.db2.gz KIRVIOBQSZSLJT-UHFFFAOYSA-N 1 2 368.846 3.126 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000184702731 496499271 /nfs/dbraw/zinc/49/92/71/496499271.db2.gz URQIZSVKVWIEBR-ZDUSSCGKSA-N 1 2 374.466 3.247 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000184702731 496499276 /nfs/dbraw/zinc/49/92/76/496499276.db2.gz URQIZSVKVWIEBR-ZDUSSCGKSA-N 1 2 374.466 3.247 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3c(F)cccc3[N+](=O)[O-])c2cc1C ZINC000184777880 496528075 /nfs/dbraw/zinc/52/80/75/496528075.db2.gz NYACGDHSRNECIR-CYBMUJFWSA-N 1 2 359.357 3.140 20 5 FGBDLO C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184983504 496610472 /nfs/dbraw/zinc/61/04/72/496610472.db2.gz KJUJTHRFCUABSI-GFCCVEGCSA-N 1 2 371.422 3.113 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000185012012 496622228 /nfs/dbraw/zinc/62/22/28/496622228.db2.gz XZUVPLFAGJKKJG-ZDUSSCGKSA-N 1 2 374.416 3.395 20 5 FGBDLO Cc1c(Br)c(NCCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000165753225 496668393 /nfs/dbraw/zinc/66/83/93/496668393.db2.gz YORKXWDRAZFQPF-UHFFFAOYSA-N 1 2 354.208 3.150 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277432497 496771074 /nfs/dbraw/zinc/77/10/74/496771074.db2.gz MNBUHBAXEAWSLP-NSHDSACASA-N 1 2 368.315 3.195 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264216474 496840537 /nfs/dbraw/zinc/84/05/37/496840537.db2.gz JZBDVVUCAMFJGH-AWEZNQCLSA-N 1 2 355.394 3.240 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277843466 496907507 /nfs/dbraw/zinc/90/75/07/496907507.db2.gz SIAYJYIEJFLRBT-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277843466 496907512 /nfs/dbraw/zinc/90/75/12/496907512.db2.gz SIAYJYIEJFLRBT-ZANVPECISA-N 1 2 352.740 3.383 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000278117644 497010586 /nfs/dbraw/zinc/01/05/86/497010586.db2.gz QEHHBDPQCBUBEQ-JKSUJKDBSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000278117644 497010591 /nfs/dbraw/zinc/01/05/91/497010591.db2.gz QEHHBDPQCBUBEQ-JKSUJKDBSA-N 1 2 372.425 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC=C(C(F)(F)F)CC3)n2)cc1 ZINC000270237979 497082836 /nfs/dbraw/zinc/08/28/36/497082836.db2.gz VEFNUQQXJQCQGC-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC=C(C(F)(F)F)CC3)n2)cc1 ZINC000270237979 497082840 /nfs/dbraw/zinc/08/28/40/497082840.db2.gz VEFNUQQXJQCQGC-UHFFFAOYSA-N 1 2 354.288 3.339 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635575 497170346 /nfs/dbraw/zinc/17/03/46/497170346.db2.gz VBLGEWMSQUDUDZ-KGLIPLIRSA-N 1 2 359.401 3.432 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000192635575 497170353 /nfs/dbraw/zinc/17/03/53/497170353.db2.gz VBLGEWMSQUDUDZ-KGLIPLIRSA-N 1 2 359.401 3.432 20 5 FGBDLO CC(C)(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000278860864 497245773 /nfs/dbraw/zinc/24/57/73/497245773.db2.gz XVBDOZQROMRRDC-UHFFFAOYSA-N 1 2 357.336 3.250 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255572901 497370147 /nfs/dbraw/zinc/37/01/47/497370147.db2.gz LSUWNDBHMHTNBC-ALCCZGGFSA-N 1 2 356.426 3.031 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000255688480 497373628 /nfs/dbraw/zinc/37/36/28/497373628.db2.gz UTAONOLIBCEKGG-DAXSKMNVSA-N 1 2 353.422 3.131 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000245457109 497416512 /nfs/dbraw/zinc/41/65/12/497416512.db2.gz UDHYRCRJZGPQDO-MLGOLLRUSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000245457109 497416516 /nfs/dbraw/zinc/41/65/16/497416516.db2.gz UDHYRCRJZGPQDO-MLGOLLRUSA-N 1 2 367.471 3.004 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279737757 497525596 /nfs/dbraw/zinc/52/55/96/497525596.db2.gz KGJVNNZFSTUUOI-IUODEOHRSA-N 1 2 360.414 3.453 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279737757 497525601 /nfs/dbraw/zinc/52/56/01/497525601.db2.gz KGJVNNZFSTUUOI-IUODEOHRSA-N 1 2 360.414 3.453 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000245821597 497544156 /nfs/dbraw/zinc/54/41/56/497544156.db2.gz DXKMLCWEJCMPOX-FGTMMUONSA-N 1 2 373.409 3.018 20 5 FGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000245821597 497544163 /nfs/dbraw/zinc/54/41/63/497544163.db2.gz DXKMLCWEJCMPOX-FGTMMUONSA-N 1 2 373.409 3.018 20 5 FGBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC2CCC2)c(OC)c1 ZINC000575074120 505914855 /nfs/dbraw/zinc/91/48/55/505914855.db2.gz ARVXVMPMMSQKLF-UHFFFAOYSA-N 1 2 374.441 3.148 20 5 FGBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC2CCC2)c(OC)c1 ZINC000575074120 505914857 /nfs/dbraw/zinc/91/48/57/505914857.db2.gz ARVXVMPMMSQKLF-UHFFFAOYSA-N 1 2 374.441 3.148 20 5 FGBDLO Cc1cc(NC[C@@H](C)Cn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301111848 497955341 /nfs/dbraw/zinc/95/53/41/497955341.db2.gz NGCCXWGQBYSPHX-CYBMUJFWSA-N 1 2 352.398 3.305 20 5 FGBDLO CN(CC[NH+]1CCOCC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301152407 497973319 /nfs/dbraw/zinc/97/33/19/497973319.db2.gz NXWTWVYIRRHNNZ-UHFFFAOYSA-N 1 2 367.755 3.035 20 5 FGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000301160777 497978006 /nfs/dbraw/zinc/97/80/06/497978006.db2.gz HDTDDAORKPICEL-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO COc1ccccc1C[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000301170949 497983414 /nfs/dbraw/zinc/98/34/14/497983414.db2.gz UJZWUOIQCCYFSS-UHFFFAOYSA-N 1 2 369.421 3.128 20 5 FGBDLO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000301212584 498002854 /nfs/dbraw/zinc/00/28/54/498002854.db2.gz XRANMJFKHCDYJX-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000578555503 505966715 /nfs/dbraw/zinc/96/67/15/505966715.db2.gz KWZZIXCCKGXZCS-IBGZPJMESA-N 1 2 354.406 3.484 20 5 FGBDLO Cc1cc(NCCOc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301297029 498044785 /nfs/dbraw/zinc/04/47/85/498044785.db2.gz SPTLQIARVGWFHV-UHFFFAOYSA-N 1 2 351.366 3.246 20 5 FGBDLO COc1cc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301350684 498069909 /nfs/dbraw/zinc/06/99/09/498069909.db2.gz IRFFSGGYKLEUEZ-IBGZPJMESA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301470950 498123533 /nfs/dbraw/zinc/12/35/33/498123533.db2.gz JJBOHSUKDKRXOE-CQSZACIVSA-N 1 2 369.425 3.172 20 5 FGBDLO C[S@](=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000285660755 498162578 /nfs/dbraw/zinc/16/25/78/498162578.db2.gz PAMOQTAWKULBQJ-GYCJOSAFSA-N 1 2 354.378 3.082 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296723349 498170146 /nfs/dbraw/zinc/17/01/46/498170146.db2.gz HRPXMCMBIGOPHD-UHFFFAOYSA-N 1 2 352.398 3.193 20 5 FGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285782305 498198904 /nfs/dbraw/zinc/19/89/04/498198904.db2.gz UHHIDCCGDOYQKV-UHFFFAOYSA-N 1 2 357.370 3.275 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000289584122 498204104 /nfs/dbraw/zinc/20/41/04/498204104.db2.gz PGQUGYVDRAOVSS-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000289584122 498204111 /nfs/dbraw/zinc/20/41/11/498204111.db2.gz PGQUGYVDRAOVSS-WBVHZDCISA-N 1 2 370.409 3.178 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000281796374 498272389 /nfs/dbraw/zinc/27/23/89/498272389.db2.gz MKUDQHALBISMHQ-OAHLLOKOSA-N 1 2 358.398 3.187 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000281801373 498274713 /nfs/dbraw/zinc/27/47/13/498274713.db2.gz MVCSULGJKSSWTM-KRWDZBQOSA-N 1 2 371.441 3.367 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281842153 498289027 /nfs/dbraw/zinc/28/90/27/498289027.db2.gz AQMBKIFAAMAJLF-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCCCCC4)[nH+]c3)nn21 ZINC000301863169 498300338 /nfs/dbraw/zinc/30/03/38/498300338.db2.gz ASWLLMBEDIKXRV-UHFFFAOYSA-N 1 2 367.413 3.025 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000281969372 498338977 /nfs/dbraw/zinc/33/89/77/498338977.db2.gz NTVOLKSFDSYUFN-AWEZNQCLSA-N 1 2 359.386 3.476 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281998586 498350565 /nfs/dbraw/zinc/35/05/65/498350565.db2.gz QFIUROWMLJNTNR-LBPRGKRZSA-N 1 2 359.386 3.128 20 5 FGBDLO Cn1cnnc1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289924107 498353704 /nfs/dbraw/zinc/35/37/04/498353704.db2.gz ORXBWMQJOFEADE-UHFFFAOYSA-N 1 2 370.240 3.410 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365307587 498398148 /nfs/dbraw/zinc/39/81/48/498398148.db2.gz ONFYNNZJTQUWEO-OAHLLOKOSA-N 1 2 356.382 3.292 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000572740129 506041050 /nfs/dbraw/zinc/04/10/50/506041050.db2.gz GQPDMCSOUSUMCY-GOSISDBHSA-N 1 2 369.396 3.179 20 5 FGBDLO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000302471441 498489876 /nfs/dbraw/zinc/48/98/76/498489876.db2.gz CYCWXUUZCBMBPH-SNVBAGLBSA-N 1 2 362.257 3.183 20 5 FGBDLO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000302471441 498489880 /nfs/dbraw/zinc/48/98/80/498489880.db2.gz CYCWXUUZCBMBPH-SNVBAGLBSA-N 1 2 362.257 3.183 20 5 FGBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293811952 498497693 /nfs/dbraw/zinc/49/76/93/498497693.db2.gz FDHWGAFQRPWYPT-QGZVFWFLSA-N 1 2 362.357 3.188 20 5 FGBDLO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000294796028 498808029 /nfs/dbraw/zinc/80/80/29/498808029.db2.gz BMNVFORMWKSTRG-BDJLRTHQSA-N 1 2 362.817 3.476 20 5 FGBDLO Cc1cc(Cl)c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000294982372 498869125 /nfs/dbraw/zinc/86/91/25/498869125.db2.gz YFWDBPUMUKAXSZ-UHFFFAOYSA-N 1 2 374.828 3.482 20 5 FGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000283415493 498879112 /nfs/dbraw/zinc/87/91/12/498879112.db2.gz BGCNULDWCFGDST-ZDUSSCGKSA-N 1 2 370.409 3.030 20 5 FGBDLO O=C(C[NH+]1CCC(Sc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363584275 498890603 /nfs/dbraw/zinc/89/06/03/498890603.db2.gz VAPFZSQPPJKWMN-UHFFFAOYSA-N 1 2 372.450 3.185 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000288039507 498930024 /nfs/dbraw/zinc/93/00/24/498930024.db2.gz DJMHGHLGCLZBQN-AWEZNQCLSA-N 1 2 358.377 3.194 20 5 FGBDLO Cc1cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1C1CC1 ZINC000370058823 499172821 /nfs/dbraw/zinc/17/28/21/499172821.db2.gz BRZSHKUOIQDYDO-UHFFFAOYSA-N 1 2 371.441 3.064 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CC2)c1 ZINC000370707960 499246755 /nfs/dbraw/zinc/24/67/55/499246755.db2.gz KSSQZOZCDPNNBK-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CC2)c1 ZINC000370707960 499246757 /nfs/dbraw/zinc/24/67/57/499246757.db2.gz KSSQZOZCDPNNBK-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368233454 499276253 /nfs/dbraw/zinc/27/62/53/499276253.db2.gz XVHCHNQWERZUGM-LBPRGKRZSA-N 1 2 360.801 3.498 20 5 FGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000573221246 506147825 /nfs/dbraw/zinc/14/78/25/506147825.db2.gz PKESKNODMSLLFI-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000573221246 506147829 /nfs/dbraw/zinc/14/78/29/506147829.db2.gz PKESKNODMSLLFI-UHFFFAOYSA-N 1 2 369.421 3.037 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378640093 499540369 /nfs/dbraw/zinc/54/03/69/499540369.db2.gz AAYGECMNHLUFCB-CQSZACIVSA-N 1 2 351.204 3.001 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]2c2cccc(Br)c2)c1 ZINC000378640093 499540370 /nfs/dbraw/zinc/54/03/70/499540370.db2.gz AAYGECMNHLUFCB-CQSZACIVSA-N 1 2 351.204 3.001 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000378549385 499530682 /nfs/dbraw/zinc/53/06/82/499530682.db2.gz WZHLMZRIJMXASX-ZDUSSCGKSA-N 1 2 368.315 3.324 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000377149667 499666286 /nfs/dbraw/zinc/66/62/86/499666286.db2.gz BCFSSMSICRVUDI-UHFFFAOYSA-N 1 2 352.797 3.443 20 5 FGBDLO O=C(c1ccco1)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413041372 499906252 /nfs/dbraw/zinc/90/62/52/499906252.db2.gz KVFDGGLWUCAWMN-UHFFFAOYSA-N 1 2 366.377 3.453 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413259289 499933604 /nfs/dbraw/zinc/93/36/04/499933604.db2.gz GDRBAVDNZNRUCU-UHFFFAOYSA-N 1 2 355.320 3.178 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](c4nc(C5CC5)no4)C3)c2c1 ZINC000413273689 499935437 /nfs/dbraw/zinc/93/54/37/499935437.db2.gz BTPXUAAJAWVMKR-ZDUSSCGKSA-N 1 2 351.366 3.397 20 5 FGBDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000429137693 500010330 /nfs/dbraw/zinc/01/03/30/500010330.db2.gz SHUHWKDNAPXUCF-UHFFFAOYSA-N 1 2 374.466 3.064 20 5 FGBDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000429137693 500010334 /nfs/dbraw/zinc/01/03/34/500010334.db2.gz SHUHWKDNAPXUCF-UHFFFAOYSA-N 1 2 374.466 3.064 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[nH+]1 ZINC000421751112 500139581 /nfs/dbraw/zinc/13/95/81/500139581.db2.gz LONYXTWEWXXVPN-UHFFFAOYSA-N 1 2 356.426 3.383 20 5 FGBDLO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nnc2ccccn21 ZINC000430213971 500210224 /nfs/dbraw/zinc/21/02/24/500210224.db2.gz WLUJAKHLJYBZSG-HNNXBMFYSA-N 1 2 355.398 3.277 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000428174942 500476943 /nfs/dbraw/zinc/47/69/43/500476943.db2.gz GSMIARQGPGYUJB-GFCCVEGCSA-N 1 2 362.380 3.338 20 5 FGBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1[nH]cc[nH+]1 ZINC000570620463 506206489 /nfs/dbraw/zinc/20/64/89/506206489.db2.gz VBVCNRRJRKRPTD-GFCCVEGCSA-N 1 2 367.203 3.270 20 5 FGBDLO CCOC1CC(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802472 500665337 /nfs/dbraw/zinc/66/53/37/500665337.db2.gz LCRPPMHVINARSR-UHFFFAOYSA-N 1 2 363.458 3.044 20 5 FGBDLO C[C@H]1CC[C@]2(CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)C1 ZINC000447805794 500666150 /nfs/dbraw/zinc/66/61/50/500666150.db2.gz KJETWERZMQYWGK-JXFKEZNVSA-N 1 2 359.470 3.444 20 5 FGBDLO C[C@@H]1C[C@H](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447812351 500667423 /nfs/dbraw/zinc/66/74/23/500667423.db2.gz RDNMEAPKDDIEJH-HZPDHXFCSA-N 1 2 363.458 3.044 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(F)c(F)c1 ZINC000447817884 500669468 /nfs/dbraw/zinc/66/94/68/500669468.db2.gz SWCYLUSWCJCALS-UHFFFAOYSA-N 1 2 363.364 3.317 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000447847736 500677840 /nfs/dbraw/zinc/67/78/40/500677840.db2.gz HLMRWWXFNCMQFZ-OAHLLOKOSA-N 1 2 374.384 3.452 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000447847736 500677843 /nfs/dbraw/zinc/67/78/43/500677843.db2.gz HLMRWWXFNCMQFZ-OAHLLOKOSA-N 1 2 374.384 3.452 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000443153318 500688925 /nfs/dbraw/zinc/68/89/25/500688925.db2.gz DICBWQURGXLXJY-UHFFFAOYSA-N 1 2 374.828 3.428 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000443153318 500688928 /nfs/dbraw/zinc/68/89/28/500688928.db2.gz DICBWQURGXLXJY-UHFFFAOYSA-N 1 2 374.828 3.428 20 5 FGBDLO C[C@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448880288 500859329 /nfs/dbraw/zinc/85/93/29/500859329.db2.gz GUIPAOIJLAFYSP-GFCCVEGCSA-N 1 2 366.381 3.200 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2ccccn21 ZINC000444687016 500878698 /nfs/dbraw/zinc/87/86/98/500878698.db2.gz YVTYFIVEZZHSDI-QGZVFWFLSA-N 1 2 365.397 3.001 20 5 FGBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690157 500879561 /nfs/dbraw/zinc/87/95/61/500879561.db2.gz RCFBGWLAZQUHNE-UHFFFAOYSA-N 1 2 364.409 3.383 20 5 FGBDLO Cc1cc(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000435615058 501002663 /nfs/dbraw/zinc/00/26/63/501002663.db2.gz HXVDAGDOPHMORI-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441084737 501086236 /nfs/dbraw/zinc/08/62/36/501086236.db2.gz ADPUPQPEOZTTFM-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441084737 501086238 /nfs/dbraw/zinc/08/62/38/501086238.db2.gz ADPUPQPEOZTTFM-AWEZNQCLSA-N 1 2 369.421 3.379 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000450534798 501147866 /nfs/dbraw/zinc/14/78/66/501147866.db2.gz ICSKMROMFRXXNE-JOCQHMNTSA-N 1 2 371.397 3.007 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1cccc(Cl)c1 ZINC000446739563 501159114 /nfs/dbraw/zinc/15/91/14/501159114.db2.gz VXUJUKWMTWWXRI-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1cccc(Cl)c1 ZINC000446739563 501159118 /nfs/dbraw/zinc/15/91/18/501159118.db2.gz VXUJUKWMTWWXRI-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO Cn1c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2cc(Cl)ccc21 ZINC000446853013 501174107 /nfs/dbraw/zinc/17/41/07/501174107.db2.gz MWTXYLDKWVORBN-UHFFFAOYSA-N 1 2 370.800 3.301 20 5 FGBDLO CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450650940 501176815 /nfs/dbraw/zinc/17/68/15/501176815.db2.gz DEMFCNWBLXHUBG-SJORKVTESA-N 1 2 372.425 3.102 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000446891526 501178521 /nfs/dbraw/zinc/17/85/21/501178521.db2.gz ZSMSDJRLXSOBHB-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO COC(=O)c1c(Cl)c(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000596073552 506241226 /nfs/dbraw/zinc/24/12/26/506241226.db2.gz IYTHFCXZASYLPW-UHFFFAOYSA-N 1 2 364.789 3.108 20 5 FGBDLO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)C1CC1 ZINC000436896276 501229045 /nfs/dbraw/zinc/22/90/45/501229045.db2.gz YDYDEJOZBMIXPQ-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO C[N@@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)C1CC1 ZINC000436896276 501229046 /nfs/dbraw/zinc/22/90/46/501229046.db2.gz YDYDEJOZBMIXPQ-UHFFFAOYSA-N 1 2 355.394 3.189 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000455466721 501310626 /nfs/dbraw/zinc/31/06/26/501310626.db2.gz FSTLDLXOHAQZEA-UKPHBRMFSA-N 1 2 369.425 3.386 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cn1 ZINC000451546736 501319436 /nfs/dbraw/zinc/31/94/36/501319436.db2.gz JOKJBHPAQLYZDM-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cn1 ZINC000451546736 501319439 /nfs/dbraw/zinc/31/94/39/501319439.db2.gz JOKJBHPAQLYZDM-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451876046 501391016 /nfs/dbraw/zinc/39/10/16/501391016.db2.gz XKPLAKXJSZQYCQ-NSHDSACASA-N 1 2 372.347 3.052 20 5 FGBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451876046 501391019 /nfs/dbraw/zinc/39/10/19/501391019.db2.gz XKPLAKXJSZQYCQ-NSHDSACASA-N 1 2 372.347 3.052 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359649 501508854 /nfs/dbraw/zinc/50/88/54/501508854.db2.gz CWEMDIURXKFFOM-ZYHUDNBSSA-N 1 2 364.789 3.036 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456392381 501515971 /nfs/dbraw/zinc/51/59/71/501515971.db2.gz PWCVVRATORZACM-QWRGUYRKSA-N 1 2 366.805 3.109 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000454550150 501575440 /nfs/dbraw/zinc/57/54/40/501575440.db2.gz LFPRKGHIRFDDMF-AWEZNQCLSA-N 1 2 359.430 3.194 20 5 FGBDLO COCCOC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459469530 501659279 /nfs/dbraw/zinc/65/92/79/501659279.db2.gz ROOBIAXYJYTZJZ-UHFFFAOYSA-N 1 2 366.801 3.355 20 5 FGBDLO Cn1c2ccc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc2sc1=O ZINC000474282458 501774717 /nfs/dbraw/zinc/77/47/17/501774717.db2.gz ZZCXQYKCZOPOFF-UHFFFAOYSA-N 1 2 355.419 3.067 20 5 FGBDLO Cn1c2ccc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc2sc1=O ZINC000474282458 501774723 /nfs/dbraw/zinc/77/47/23/501774723.db2.gz ZZCXQYKCZOPOFF-UHFFFAOYSA-N 1 2 355.419 3.067 20 5 FGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2[nH+]ccn21 ZINC000460325930 501792546 /nfs/dbraw/zinc/79/25/46/501792546.db2.gz BCTKMJKFQMRUOM-SNVBAGLBSA-N 1 2 360.757 3.302 20 5 FGBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC000474339237 501796365 /nfs/dbraw/zinc/79/63/65/501796365.db2.gz GCWXVZWZVXBLGF-UHFFFAOYSA-N 1 2 373.583 3.413 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936246 501861594 /nfs/dbraw/zinc/86/15/94/501861594.db2.gz ZDCLBNGEZQLMRR-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936246 501861597 /nfs/dbraw/zinc/86/15/97/501861597.db2.gz ZDCLBNGEZQLMRR-SKDRFNHKSA-N 1 2 356.304 3.418 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000463975100 501868901 /nfs/dbraw/zinc/86/89/01/501868901.db2.gz QCJXRYVNOKGBQD-UHFFFAOYSA-N 1 2 358.398 3.154 20 5 FGBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000464771070 502088023 /nfs/dbraw/zinc/08/80/23/502088023.db2.gz KVOZAAQINGTFBG-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000464771070 502088031 /nfs/dbraw/zinc/08/80/31/502088031.db2.gz KVOZAAQINGTFBG-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CCc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000478915852 502119992 /nfs/dbraw/zinc/11/99/92/502119992.db2.gz ZTSORQMJNIYSTH-UHFFFAOYSA-N 1 2 356.407 3.334 20 5 FGBDLO COc1ccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000472030686 502204937 /nfs/dbraw/zinc/20/49/37/502204937.db2.gz VHVJTSGCYCNAIR-UHFFFAOYSA-N 1 2 371.437 3.090 20 5 FGBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000599065814 506306375 /nfs/dbraw/zinc/30/63/75/506306375.db2.gz RGEZHMVTPOLMJX-NSHDSACASA-N 1 2 354.332 3.216 20 5 FGBDLO COc1cccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000472368896 502332855 /nfs/dbraw/zinc/33/28/55/502332855.db2.gz OQEXCFFNJZWJDN-UHFFFAOYSA-N 1 2 371.437 3.090 20 5 FGBDLO CCC(=O)c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000479943521 502426103 /nfs/dbraw/zinc/42/61/03/502426103.db2.gz VRPOPSRESYYQJO-UHFFFAOYSA-N 1 2 370.409 3.031 20 5 FGBDLO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000487433253 502442712 /nfs/dbraw/zinc/44/27/12/502442712.db2.gz QYKNJIVOKHAYCJ-SUMWQHHRSA-N 1 2 357.410 3.030 20 5 FGBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000469731533 502520859 /nfs/dbraw/zinc/52/08/59/502520859.db2.gz PDVQPBDWGLMITI-UHFFFAOYSA-N 1 2 370.796 3.060 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000462746804 502556043 /nfs/dbraw/zinc/55/60/43/502556043.db2.gz WAOOTSFWOATEMV-KRWDZBQOSA-N 1 2 371.437 3.101 20 5 FGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473519064 502620556 /nfs/dbraw/zinc/62/05/56/502620556.db2.gz LROZHOMADRQBFB-HNNXBMFYSA-N 1 2 363.421 3.421 20 5 FGBDLO Cc1cc(NC[C@@]2(C)CCO[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000466635547 502628906 /nfs/dbraw/zinc/62/89/06/502628906.db2.gz ORFZDQPWMOFFSG-AZUAARDMSA-N 1 2 368.437 3.399 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(c2ccccc2F)C1 ZINC000463017262 502661073 /nfs/dbraw/zinc/66/10/73/502661073.db2.gz ZKKKHDPJYPTAFI-UHFFFAOYSA-N 1 2 366.352 3.159 20 5 FGBDLO CCC(CC)(CCO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467010731 502757360 /nfs/dbraw/zinc/75/73/60/502757360.db2.gz LZQITJSGRUNTKG-UHFFFAOYSA-N 1 2 358.442 3.383 20 5 FGBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000513201579 502876734 /nfs/dbraw/zinc/87/67/34/502876734.db2.gz OORDNPHUNHULSL-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000513201579 502876738 /nfs/dbraw/zinc/87/67/38/502876738.db2.gz OORDNPHUNHULSL-UHFFFAOYSA-N 1 2 353.850 3.473 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2n[nH]cc2c1 ZINC000513360745 502914415 /nfs/dbraw/zinc/91/44/15/502914415.db2.gz DWCWUSQUZHWWQV-LLVKDONJSA-N 1 2 364.365 3.372 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000593021093 506341706 /nfs/dbraw/zinc/34/17/06/506341706.db2.gz LBVAEKOMYIXOGY-OAHLLOKOSA-N 1 2 374.397 3.129 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489363405 502938586 /nfs/dbraw/zinc/93/85/86/502938586.db2.gz LUVPUVIDOORGTD-UHFFFAOYSA-N 1 2 359.430 3.182 20 5 FGBDLO Cc1ccccc1OCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656396 502992308 /nfs/dbraw/zinc/99/23/08/502992308.db2.gz SIOCRUAKASCVBC-LJQANCHMSA-N 1 2 366.421 3.395 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513655387 502992739 /nfs/dbraw/zinc/99/27/39/502992739.db2.gz MIQIFNUUFQYMON-GOSISDBHSA-N 1 2 358.442 3.357 20 5 FGBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000501362880 502992880 /nfs/dbraw/zinc/99/28/80/502992880.db2.gz ZELQOCIMNZHMKQ-UHFFFAOYSA-N 1 2 368.397 3.194 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CCC2 ZINC000505898177 503008345 /nfs/dbraw/zinc/00/83/45/503008345.db2.gz HFJSYVLCFVDKTQ-GFCCVEGCSA-N 1 2 354.366 3.153 20 5 FGBDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000501434575 503010043 /nfs/dbraw/zinc/01/00/43/503010043.db2.gz LJACQKNBMPHHOK-NSHDSACASA-N 1 2 365.231 3.001 20 5 FGBDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000501434575 503010046 /nfs/dbraw/zinc/01/00/46/503010046.db2.gz LJACQKNBMPHHOK-NSHDSACASA-N 1 2 365.231 3.001 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CC2 ZINC000599149426 506347052 /nfs/dbraw/zinc/34/70/52/506347052.db2.gz MTZIRHJHLZADRQ-INIZCTEOSA-N 1 2 356.426 3.099 20 5 FGBDLO Cc1c(CC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000513996838 503064051 /nfs/dbraw/zinc/06/40/51/503064051.db2.gz MEVDBJZGWSAOES-KRWDZBQOSA-N 1 2 373.840 3.272 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490821815 503232745 /nfs/dbraw/zinc/23/27/45/503232745.db2.gz BSSVSGGOLAOJRC-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490821815 503232747 /nfs/dbraw/zinc/23/27/47/503232747.db2.gz BSSVSGGOLAOJRC-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507244290 503258650 /nfs/dbraw/zinc/25/86/50/503258650.db2.gz VKEHTYRLIWIZKH-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507244290 503258653 /nfs/dbraw/zinc/25/86/53/503258653.db2.gz VKEHTYRLIWIZKH-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492648666 503378838 /nfs/dbraw/zinc/37/88/38/503378838.db2.gz GQBBFYJGYZNRJG-OAHLLOKOSA-N 1 2 350.415 3.300 20 5 FGBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492648666 503378839 /nfs/dbraw/zinc/37/88/39/503378839.db2.gz GQBBFYJGYZNRJG-OAHLLOKOSA-N 1 2 350.415 3.300 20 5 FGBDLO CC(C)Oc1nc(NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000515670366 503382637 /nfs/dbraw/zinc/38/26/37/503382637.db2.gz MHXSTHZMDIUGJA-UHFFFAOYSA-N 1 2 367.409 3.056 20 5 FGBDLO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492755913 503383757 /nfs/dbraw/zinc/38/37/57/503383757.db2.gz FTWMYZZPGKOHEX-GOSISDBHSA-N 1 2 350.378 3.108 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511892200 503408982 /nfs/dbraw/zinc/40/89/82/503408982.db2.gz RZAUFOCNJPRWMF-UHFFFAOYSA-N 1 2 354.391 3.350 20 5 FGBDLO O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499507572 503420882 /nfs/dbraw/zinc/42/08/82/503420882.db2.gz IZLYYKFGKUIWGG-LBPRGKRZSA-N 1 2 364.352 3.336 20 5 FGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1n[nH]cc1Br ZINC000527039023 503652450 /nfs/dbraw/zinc/65/24/50/503652450.db2.gz QWIUFFKWWWSRHZ-YHYXMXQVSA-N 1 2 351.204 3.274 20 5 FGBDLO Cc1ccsc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540200059 503706505 /nfs/dbraw/zinc/70/65/05/503706505.db2.gz ASNAKXHZBIFPBH-UHFFFAOYSA-N 1 2 356.407 3.123 20 5 FGBDLO Cc1c(CC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000541267055 504066377 /nfs/dbraw/zinc/06/63/77/504066377.db2.gz RTEQPVATHYVTHJ-UHFFFAOYSA-N 1 2 350.378 3.152 20 5 FGBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000547443167 504108390 /nfs/dbraw/zinc/10/83/90/504108390.db2.gz QGYGMQCZHIHZRL-SFHVURJKSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000547443167 504108396 /nfs/dbraw/zinc/10/83/96/504108396.db2.gz QGYGMQCZHIHZRL-SFHVURJKSA-N 1 2 360.410 3.481 20 5 FGBDLO CC1=CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000534471759 504151004 /nfs/dbraw/zinc/15/10/04/504151004.db2.gz ARRONSAJEATFQQ-UHFFFAOYSA-N 1 2 358.423 3.309 20 5 FGBDLO CC1=CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000534471759 504151008 /nfs/dbraw/zinc/15/10/08/504151008.db2.gz ARRONSAJEATFQQ-UHFFFAOYSA-N 1 2 358.423 3.309 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000519549591 504248871 /nfs/dbraw/zinc/24/88/71/504248871.db2.gz HEIIDYFUEVIGFZ-UHFFFAOYSA-N 1 2 359.773 3.443 20 5 FGBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000519584656 504262849 /nfs/dbraw/zinc/26/28/49/504262849.db2.gz KFYFSBWKFDMKSJ-AWEZNQCLSA-N 1 2 374.466 3.245 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000535005635 504310339 /nfs/dbraw/zinc/31/03/39/504310339.db2.gz LTIISOLXBVDAQI-UHFFFAOYSA-N 1 2 360.439 3.237 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000541998859 504329727 /nfs/dbraw/zinc/32/97/27/504329727.db2.gz GSEIVQJQOMBESR-CYBMUJFWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC000535244005 504380510 /nfs/dbraw/zinc/38/05/10/504380510.db2.gz RBHGYNLMFVTKOT-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC000535244005 504380516 /nfs/dbraw/zinc/38/05/16/504380516.db2.gz RBHGYNLMFVTKOT-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO Cc1cc(N2CCC[C@@]2(C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000542508047 504519004 /nfs/dbraw/zinc/51/90/04/504519004.db2.gz VJXCBUZQXYKZFM-IBGZPJMESA-N 1 2 356.426 3.492 20 5 FGBDLO Cc1c(Br)c(N2CCC(n3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000542520363 504523468 /nfs/dbraw/zinc/52/34/68/504523468.db2.gz DOSLHDGYIUNLKS-UHFFFAOYSA-N 1 2 366.219 3.099 20 5 FGBDLO CCc1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)nc(-c2ccncc2)[nH+]1 ZINC000521350111 504716064 /nfs/dbraw/zinc/71/60/64/504716064.db2.gz NPPIAMIKNNJZBB-UHFFFAOYSA-N 1 2 365.393 3.052 20 5 FGBDLO C[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543126233 504735352 /nfs/dbraw/zinc/73/53/52/504735352.db2.gz RBXHTKLMQJTBFJ-QGZVFWFLSA-N 1 2 371.462 3.202 20 5 FGBDLO C[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543126233 504735356 /nfs/dbraw/zinc/73/53/56/504735356.db2.gz RBXHTKLMQJTBFJ-QGZVFWFLSA-N 1 2 371.462 3.202 20 5 FGBDLO CC(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000556183726 504813356 /nfs/dbraw/zinc/81/33/56/504813356.db2.gz WXWBEXUKJGBUMD-AWEZNQCLSA-N 1 2 370.331 3.487 20 5 FGBDLO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000549717650 504880010 /nfs/dbraw/zinc/88/00/10/504880010.db2.gz INAWINAAYWRTHS-SJLPKXTDSA-N 1 2 361.829 3.489 20 5 FGBDLO COc1ccc(Cc2nc(CCc3[nH+]cccc3C)no2)cc1[N+](=O)[O-] ZINC000562792122 504947749 /nfs/dbraw/zinc/94/77/49/504947749.db2.gz WVGZQRQHHIGGDA-UHFFFAOYSA-N 1 2 354.366 3.066 20 5 FGBDLO Cc1cccc(CCCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])[nH+]1 ZINC000553578713 504954260 /nfs/dbraw/zinc/95/42/60/504954260.db2.gz YSTHXALGHLVDRC-UHFFFAOYSA-N 1 2 370.453 3.175 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000560468201 505095814 /nfs/dbraw/zinc/09/58/14/505095814.db2.gz RTLBVGGRRQBIKW-UHFFFAOYSA-N 1 2 353.394 3.252 20 5 FGBDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])ccc2NC1=O ZINC000554319514 505144273 /nfs/dbraw/zinc/14/42/73/505144273.db2.gz FGDMFXJVWWKUEP-DIFFPNOSSA-N 1 2 371.393 3.261 20 5 FGBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000557604280 505180071 /nfs/dbraw/zinc/18/00/71/505180071.db2.gz STKKSTQKZUZDOX-UHFFFAOYSA-N 1 2 372.385 3.280 20 5 FGBDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000554571749 505210608 /nfs/dbraw/zinc/21/06/08/505210608.db2.gz DTFUPEPEHJDMQL-UHFFFAOYSA-N 1 2 352.350 3.302 20 5 FGBDLO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000554697511 505243063 /nfs/dbraw/zinc/24/30/63/505243063.db2.gz VOOWOYMBMVQTCG-IUODEOHRSA-N 1 2 365.430 3.022 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000555318505 505406598 /nfs/dbraw/zinc/40/65/98/505406598.db2.gz OYBZOTHIEQFEDM-UHFFFAOYSA-N 1 2 367.409 3.453 20 5 FGBDLO NC(=O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555364202 505417899 /nfs/dbraw/zinc/41/78/99/505417899.db2.gz DOKJHFKQAXWBCX-UHFFFAOYSA-N 1 2 367.327 3.101 20 5 FGBDLO NC(=O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555364202 505417902 /nfs/dbraw/zinc/41/79/02/505417902.db2.gz DOKJHFKQAXWBCX-UHFFFAOYSA-N 1 2 367.327 3.101 20 5 FGBDLO Cc1noc(C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000555460516 505435804 /nfs/dbraw/zinc/43/58/04/505435804.db2.gz STYWTPHEPKTYGX-MRXNPFEDSA-N 1 2 354.366 3.065 20 5 FGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463130 505436239 /nfs/dbraw/zinc/43/62/39/505436239.db2.gz YQEMAKRAUPXFQY-BFQNTYOBSA-N 1 2 374.359 3.382 20 5 FGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O2 ZINC000555463130 505436242 /nfs/dbraw/zinc/43/62/42/505436242.db2.gz YQEMAKRAUPXFQY-BFQNTYOBSA-N 1 2 374.359 3.382 20 5 FGBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000558697252 505467229 /nfs/dbraw/zinc/46/72/29/505467229.db2.gz WTSJNADWWLKIMN-UHFFFAOYSA-N 1 2 356.304 3.099 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000552415027 505486620 /nfs/dbraw/zinc/48/66/20/505486620.db2.gz OGKKFEQEBZHAPU-UHFFFAOYSA-N 1 2 365.389 3.299 20 5 FGBDLO Cc1cccc(NCc2ccccc2OCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000558910980 505527942 /nfs/dbraw/zinc/52/79/42/505527942.db2.gz DJRSRJKDNWMKAD-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1cccnc1 ZINC000596591859 506478611 /nfs/dbraw/zinc/47/86/11/506478611.db2.gz MGDRSFJOJXUSBZ-ROUUACIJSA-N 1 2 366.421 3.178 20 5 FGBDLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1cccnc1 ZINC000596591859 506478618 /nfs/dbraw/zinc/47/86/18/506478618.db2.gz MGDRSFJOJXUSBZ-ROUUACIJSA-N 1 2 366.421 3.178 20 5 FGBDLO Cc1sc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000603507022 506536436 /nfs/dbraw/zinc/53/64/36/506536436.db2.gz JPEMLAJCJUZQQL-UHFFFAOYSA-N 1 2 358.423 3.443 20 5 FGBDLO COC(=O)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000599680709 506577104 /nfs/dbraw/zinc/57/71/04/506577104.db2.gz QOYZITGSMNPXAF-HNNXBMFYSA-N 1 2 367.361 3.008 20 5 FGBDLO COC(=O)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000599680709 506577109 /nfs/dbraw/zinc/57/71/09/506577109.db2.gz QOYZITGSMNPXAF-HNNXBMFYSA-N 1 2 367.361 3.008 20 5 FGBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)nc1 ZINC000612778855 506737139 /nfs/dbraw/zinc/73/71/39/506737139.db2.gz HFBXNFVWKFBTLO-UHFFFAOYSA-N 1 2 354.395 3.148 20 5 FGBDLO CCN1C[C@@H](C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC000609143999 506790363 /nfs/dbraw/zinc/79/03/63/506790363.db2.gz FSULZACEUJAGEZ-CQSZACIVSA-N 1 2 359.401 3.453 20 5 FGBDLO CCN1C[C@@H](C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])Oc2ccccc21 ZINC000609143999 506790367 /nfs/dbraw/zinc/79/03/67/506790367.db2.gz FSULZACEUJAGEZ-CQSZACIVSA-N 1 2 359.401 3.453 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600162552 506814941 /nfs/dbraw/zinc/81/49/41/506814941.db2.gz TZZJEQZFRVIOFC-UHFFFAOYSA-N 1 2 364.405 3.034 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2sccc2C1 ZINC000609332354 506855986 /nfs/dbraw/zinc/85/59/86/506855986.db2.gz PVZKFRHMGBVRJN-UHFFFAOYSA-N 1 2 368.418 3.431 20 5 FGBDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc(N)c([N+](=O)[O-])n4)C3)[nH+]c2c1 ZINC000590581387 506867904 /nfs/dbraw/zinc/86/79/04/506867904.db2.gz NDXYHAVUBBULFQ-GFCCVEGCSA-N 1 2 352.398 3.141 20 5 FGBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1F ZINC000609450903 506885893 /nfs/dbraw/zinc/88/58/93/506885893.db2.gz BAFVRTTZZQAVHZ-BDJLRTHQSA-N 1 2 361.348 3.329 20 5 FGBDLO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000609663983 506966196 /nfs/dbraw/zinc/96/61/96/506966196.db2.gz CSHMPFGOWPTJCD-OAHLLOKOSA-N 1 2 367.327 3.045 20 5 FGBDLO CSc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597939938 507188907 /nfs/dbraw/zinc/18/89/07/507188907.db2.gz DZOGCIVAJIDQGX-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2Br)c(C)c1 ZINC000594596285 507200790 /nfs/dbraw/zinc/20/07/90/507200790.db2.gz RIWZUSNWQCGKQC-UHFFFAOYSA-N 1 2 351.204 3.419 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505239 507268281 /nfs/dbraw/zinc/26/82/81/507268281.db2.gz DFGFQOJJWKYITQ-MSOLQXFVSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610505239 507268287 /nfs/dbraw/zinc/26/82/87/507268287.db2.gz DFGFQOJJWKYITQ-MSOLQXFVSA-N 1 2 355.369 3.286 20 5 FGBDLO COc1ccc2nc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000601150556 507279179 /nfs/dbraw/zinc/27/91/79/507279179.db2.gz ZIOVRSIQJVBDOD-GOSISDBHSA-N 1 2 373.434 3.210 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)C1 ZINC000601370181 507346682 /nfs/dbraw/zinc/34/66/82/507346682.db2.gz VPHKMXNZXNTILO-MRXNPFEDSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)C1 ZINC000601370181 507346688 /nfs/dbraw/zinc/34/66/88/507346688.db2.gz VPHKMXNZXNTILO-MRXNPFEDSA-N 1 2 372.425 3.230 20 5 FGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595046138 507367205 /nfs/dbraw/zinc/36/72/05/507367205.db2.gz XXVLYOSDIBDUAK-VHSXEESVSA-N 1 2 365.411 3.258 20 5 FGBDLO C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459209 507434605 /nfs/dbraw/zinc/43/46/05/507434605.db2.gz FPGPWGIQPUYBDE-KGLIPLIRSA-N 1 2 371.441 3.056 20 5 FGBDLO Cc1noc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595286252 507448137 /nfs/dbraw/zinc/44/81/37/507448137.db2.gz AUDXBBIYZBNJDI-UHFFFAOYSA-N 1 2 364.833 3.253 20 5 FGBDLO Cc1noc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595286252 507448144 /nfs/dbraw/zinc/44/81/44/507448144.db2.gz AUDXBBIYZBNJDI-UHFFFAOYSA-N 1 2 364.833 3.253 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000601907992 507513331 /nfs/dbraw/zinc/51/33/31/507513331.db2.gz HALULIOITHNVJE-UHFFFAOYSA-N 1 2 350.334 3.235 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192744 507534210 /nfs/dbraw/zinc/53/42/10/507534210.db2.gz KFJNRDROYBNTDW-HIFRSBDPSA-N 1 2 361.442 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192744 507534219 /nfs/dbraw/zinc/53/42/19/507534219.db2.gz KFJNRDROYBNTDW-HIFRSBDPSA-N 1 2 361.442 3.264 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCOC2)CC1 ZINC000611177723 507547601 /nfs/dbraw/zinc/54/76/01/507547601.db2.gz KECSKQKTBAVBBA-GFCCVEGCSA-N 1 2 367.833 3.078 20 5 FGBDLO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000595540926 507550490 /nfs/dbraw/zinc/55/04/90/507550490.db2.gz AGIFPDCYTMMAPY-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO O=C1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000595540926 507550496 /nfs/dbraw/zinc/55/04/96/507550496.db2.gz AGIFPDCYTMMAPY-LJQANCHMSA-N 1 2 356.353 3.344 20 5 FGBDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000595578443 507571975 /nfs/dbraw/zinc/57/19/75/507571975.db2.gz CPZBFUITNHNFDU-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000611279356 507601108 /nfs/dbraw/zinc/60/11/08/507601108.db2.gz OZUAFAZTIHSPBP-UHFFFAOYSA-N 1 2 353.422 3.266 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000585743404 507612103 /nfs/dbraw/zinc/61/21/03/507612103.db2.gz FRRJJJLCKKWMKY-UHFFFAOYSA-N 1 2 362.336 3.405 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000585800641 507636886 /nfs/dbraw/zinc/63/68/86/507636886.db2.gz DHBDDJIESUYZMJ-OIISXLGYSA-N 1 2 354.834 3.000 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000585800641 507636887 /nfs/dbraw/zinc/63/68/87/507636887.db2.gz DHBDDJIESUYZMJ-OIISXLGYSA-N 1 2 354.834 3.000 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)c(F)c1 ZINC000611402884 507664068 /nfs/dbraw/zinc/66/40/68/507664068.db2.gz RSEGJXTZHDMFKO-OAHLLOKOSA-N 1 2 363.320 3.492 20 5 FGBDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595758297 507669390 /nfs/dbraw/zinc/66/93/90/507669390.db2.gz HQEFTIBCFXQLHO-HNNXBMFYSA-N 1 2 364.833 3.297 20 5 FGBDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595758297 507669393 /nfs/dbraw/zinc/66/93/93/507669393.db2.gz HQEFTIBCFXQLHO-HNNXBMFYSA-N 1 2 364.833 3.297 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595822347 507701480 /nfs/dbraw/zinc/70/14/80/507701480.db2.gz RKLNMCHIVTXIJP-CQSZACIVSA-N 1 2 373.453 3.121 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595822347 507701486 /nfs/dbraw/zinc/70/14/86/507701486.db2.gz RKLNMCHIVTXIJP-CQSZACIVSA-N 1 2 373.453 3.121 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000611515259 507716361 /nfs/dbraw/zinc/71/63/61/507716361.db2.gz ORYQNRBGZUQXBI-UHFFFAOYSA-N 1 2 355.394 3.120 20 5 FGBDLO COc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000611515259 507716366 /nfs/dbraw/zinc/71/63/66/507716366.db2.gz ORYQNRBGZUQXBI-UHFFFAOYSA-N 1 2 355.394 3.120 20 5 FGBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)nc1-c1ccc(F)cc1 ZINC000485400723 561318296 /nfs/dbraw/zinc/31/82/96/561318296.db2.gz CQRBPXQAHSIFKW-UHFFFAOYSA-N 1 2 372.400 3.073 20 5 FGBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802652891 724397371 /nfs/dbraw/zinc/39/73/71/724397371.db2.gz LYNQWROEVSIRKA-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802652891 724397374 /nfs/dbraw/zinc/39/73/74/724397374.db2.gz LYNQWROEVSIRKA-UHFFFAOYSA-N 1 2 367.858 3.448 20 5 FGBDLO CN(C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000783526997 724761298 /nfs/dbraw/zinc/76/12/98/724761298.db2.gz SSDJQPOTSKDVIP-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000783526997 724761303 /nfs/dbraw/zinc/76/13/03/724761303.db2.gz SSDJQPOTSKDVIP-UHFFFAOYSA-N 1 2 353.850 3.471 20 5 FGBDLO CC(C)OC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000730569596 722469362 /nfs/dbraw/zinc/46/93/62/722469362.db2.gz AULHPMUBZZTGQZ-UHFFFAOYSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000733330426 722495805 /nfs/dbraw/zinc/49/58/05/722495805.db2.gz ZBIZAVADVDQBPM-LBPRGKRZSA-N 1 2 361.345 3.385 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000734837547 722510447 /nfs/dbraw/zinc/51/04/47/722510447.db2.gz JVIAYWNTQZUICI-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000734837547 722510448 /nfs/dbraw/zinc/51/04/48/722510448.db2.gz JVIAYWNTQZUICI-UHFFFAOYSA-N 1 2 366.874 3.413 20 5 FGBDLO O=c1[nH]ccc2c1C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000756139169 722961167 /nfs/dbraw/zinc/96/11/67/722961167.db2.gz RKVBGQWEXMBYHN-UHFFFAOYSA-N 1 2 364.199 3.016 20 5 FGBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000756139169 722961168 /nfs/dbraw/zinc/96/11/68/722961168.db2.gz RKVBGQWEXMBYHN-UHFFFAOYSA-N 1 2 364.199 3.016 20 5 FGBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1Br ZINC000758347897 722988386 /nfs/dbraw/zinc/98/83/86/722988386.db2.gz NDDUZCSPIDGWNB-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO O=C(O[C@@H](C1CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000761263802 723138105 /nfs/dbraw/zinc/13/81/05/723138105.db2.gz VRJBXDWWNLMJAE-ZDUSSCGKSA-N 1 2 355.272 3.278 20 5 FGBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761510109 723161110 /nfs/dbraw/zinc/16/11/10/723161110.db2.gz CTKCCAWPBNMJGS-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761510109 723161113 /nfs/dbraw/zinc/16/11/13/723161113.db2.gz CTKCCAWPBNMJGS-UHFFFAOYSA-N 1 2 353.831 3.058 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000793609323 723454391 /nfs/dbraw/zinc/45/43/91/723454391.db2.gz AMHWPDVZCBICHH-LLVKDONJSA-N 1 2 353.216 3.408 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000793609323 723454394 /nfs/dbraw/zinc/45/43/94/723454394.db2.gz AMHWPDVZCBICHH-LLVKDONJSA-N 1 2 353.216 3.408 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664913 723539312 /nfs/dbraw/zinc/53/93/12/723539312.db2.gz LQRNEMXRVXCBRN-CMPLNLGQSA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000794664913 723539314 /nfs/dbraw/zinc/53/93/14/723539314.db2.gz LQRNEMXRVXCBRN-CMPLNLGQSA-N 1 2 355.320 3.084 20 5 FGBDLO O=C(c1cccc2[nH+]ccn21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000765841615 723543829 /nfs/dbraw/zinc/54/38/29/723543829.db2.gz RIFYHIUAYMPLGT-QGZVFWFLSA-N 1 2 354.391 3.130 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796294944 723631138 /nfs/dbraw/zinc/63/11/38/723631138.db2.gz SMGLJTVELUTGSD-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000796294944 723631139 /nfs/dbraw/zinc/63/11/39/723631139.db2.gz SMGLJTVELUTGSD-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000796529597 723641786 /nfs/dbraw/zinc/64/17/86/723641786.db2.gz OEDCEPYAQYTVOE-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000796529597 723641787 /nfs/dbraw/zinc/64/17/87/723641787.db2.gz OEDCEPYAQYTVOE-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796707575 723651220 /nfs/dbraw/zinc/65/12/20/723651220.db2.gz DXFUKRTYFKOSDS-AWEZNQCLSA-N 1 2 353.394 3.223 20 5 FGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796707575 723651221 /nfs/dbraw/zinc/65/12/21/723651221.db2.gz DXFUKRTYFKOSDS-AWEZNQCLSA-N 1 2 353.394 3.223 20 5 FGBDLO Cc1ccc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000798215908 723914607 /nfs/dbraw/zinc/91/46/07/723914607.db2.gz UMQOKVKBHCKCHK-UHFFFAOYSA-N 1 2 372.263 3.188 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000775179844 723968997 /nfs/dbraw/zinc/96/89/97/723968997.db2.gz SKYPRIJVOYEPJO-UHFFFAOYSA-N 1 2 361.745 3.323 20 5 FGBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989100 725281077 /nfs/dbraw/zinc/28/10/77/725281077.db2.gz XNRKNHIMNXRDFM-LBPRGKRZSA-N 1 2 351.230 3.119 20 5 FGBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989100 725281078 /nfs/dbraw/zinc/28/10/78/725281078.db2.gz XNRKNHIMNXRDFM-LBPRGKRZSA-N 1 2 351.230 3.119 20 5 FGBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000813437800 726876133 /nfs/dbraw/zinc/87/61/33/726876133.db2.gz QOTPMZLPWWBSFT-UHFFFAOYSA-N 1 2 368.176 3.200 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC000817361850 727243527 /nfs/dbraw/zinc/24/35/27/727243527.db2.gz JEPXESMRTJOURL-ZDUSSCGKSA-N 1 2 365.231 3.218 20 5 FGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC000817361850 727243535 /nfs/dbraw/zinc/24/35/35/727243535.db2.gz JEPXESMRTJOURL-ZDUSSCGKSA-N 1 2 365.231 3.218 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000831053270 729613878 /nfs/dbraw/zinc/61/38/78/729613878.db2.gz CMSPUDSYQXAIEF-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000831053270 729613880 /nfs/dbraw/zinc/61/38/80/729613880.db2.gz CMSPUDSYQXAIEF-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835329541 729878710 /nfs/dbraw/zinc/87/87/10/729878710.db2.gz FKSRLHBSONZXSD-UHFFFAOYSA-N 1 2 357.288 3.137 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000844439570 730719151 /nfs/dbraw/zinc/71/91/51/730719151.db2.gz OVEUWOQKBRLGNE-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000844439570 730719153 /nfs/dbraw/zinc/71/91/53/730719153.db2.gz OVEUWOQKBRLGNE-CQSZACIVSA-N 1 2 359.760 3.308 20 5 FGBDLO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288150 737547562 /nfs/dbraw/zinc/54/75/62/737547562.db2.gz SUZAJSJGCYADON-UHFFFAOYSA-N 1 2 359.611 3.034 20 5 FGBDLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288076 737547572 /nfs/dbraw/zinc/54/75/72/737547572.db2.gz QKLPVTIWKGJSQL-UHFFFAOYSA-N 1 2 373.638 3.342 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000852736180 731628023 /nfs/dbraw/zinc/62/80/23/731628023.db2.gz VIEFGMBESHMWMF-HUUCEWRRSA-N 1 2 353.394 3.032 20 5 FGBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000852736180 731628025 /nfs/dbraw/zinc/62/80/25/731628025.db2.gz VIEFGMBESHMWMF-HUUCEWRRSA-N 1 2 353.394 3.032 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000856728918 732047349 /nfs/dbraw/zinc/04/73/49/732047349.db2.gz MUJYKYKDJQVHKZ-NSHDSACASA-N 1 2 351.204 3.395 20 5 FGBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c2nccn21 ZINC000883295538 737548388 /nfs/dbraw/zinc/54/83/88/737548388.db2.gz LOLVRTZRTJZXNP-SKDRFNHKSA-N 1 2 351.204 3.349 20 5 FGBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886756013 739292242 /nfs/dbraw/zinc/29/22/42/739292242.db2.gz ZUWAMMYXOMMPAQ-LLVKDONJSA-N 1 2 367.500 3.236 20 5 FGBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886756013 739292246 /nfs/dbraw/zinc/29/22/46/739292246.db2.gz ZUWAMMYXOMMPAQ-LLVKDONJSA-N 1 2 367.500 3.236 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000895479197 742416962 /nfs/dbraw/zinc/41/69/62/742416962.db2.gz MPKKCISPQCWNND-UHFFFAOYSA-N 1 2 371.260 3.488 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000895479964 742417519 /nfs/dbraw/zinc/41/75/19/742417519.db2.gz CEZIZYLTSUPLPJ-UHFFFAOYSA-N 1 2 371.260 3.488 20 5 FGBDLO C[NH+](C)Cc1csc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000895480609 742417569 /nfs/dbraw/zinc/41/75/69/742417569.db2.gz JVDPHFVHEORUHO-UHFFFAOYSA-N 1 2 361.349 3.139 20 5 FGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000903222876 743825372 /nfs/dbraw/zinc/82/53/72/743825372.db2.gz NCURJBFFNDUIEX-LBPRGKRZSA-N 1 2 364.471 3.362 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921203710 758666960 /nfs/dbraw/zinc/66/69/60/758666960.db2.gz BDBNUAWUHGOYPI-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930982834 760745537 /nfs/dbraw/zinc/74/55/37/760745537.db2.gz MJMZSLXYQJHCLF-UHFFFAOYSA-N 1 2 361.829 3.213 20 5 FGBDLO Cc1nc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)no1 ZINC000931935211 761010524 /nfs/dbraw/zinc/01/05/24/761010524.db2.gz KWXNELURIJDYDZ-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)no1 ZINC000931935211 761010537 /nfs/dbraw/zinc/01/05/37/761010537.db2.gz KWXNELURIJDYDZ-NSHDSACASA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)no1 ZINC000931935365 761010979 /nfs/dbraw/zinc/01/09/79/761010979.db2.gz LPVQVVRHWGHWDH-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)no1 ZINC000931935365 761010992 /nfs/dbraw/zinc/01/09/92/761010992.db2.gz LPVQVVRHWGHWDH-LLVKDONJSA-N 1 2 367.203 3.038 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000933982273 761514372 /nfs/dbraw/zinc/51/43/72/761514372.db2.gz QSJZGSVGQBXNKV-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000933982273 761514378 /nfs/dbraw/zinc/51/43/78/761514378.db2.gz QSJZGSVGQBXNKV-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000934651960 761684489 /nfs/dbraw/zinc/68/44/89/761684489.db2.gz GPTSQRNGXMPSCK-IUODEOHRSA-N 1 2 360.439 3.237 20 5 FGBDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000022089753 211338649 /nfs/dbraw/zinc/33/86/49/211338649.db2.gz YRCPSEYZVQQURE-MRVPVSSYSA-N 1 2 367.818 3.048 20 5 FGBDLO COc1ccc(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015081957 211122220 /nfs/dbraw/zinc/12/22/20/211122220.db2.gz JEIHZUQETANVOS-UHFFFAOYSA-N 1 2 352.350 3.350 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccon1 ZINC000570859158 505597166 /nfs/dbraw/zinc/59/71/66/505597166.db2.gz YYGZQLXHESMKCF-QMMMGPOBSA-N 1 2 373.150 3.038 20 5 FGBDLO Cc1cc(NCc2ccc[nH+]c2N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057826778 493803651 /nfs/dbraw/zinc/80/36/51/493803651.db2.gz KLMSGQFCQZAFIL-UHFFFAOYSA-N 1 2 364.409 3.433 20 5 FGBDLO CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000029277598 493830140 /nfs/dbraw/zinc/83/01/40/493830140.db2.gz GMOHGFGZJRJZSN-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1C ZINC000058957665 493896830 /nfs/dbraw/zinc/89/68/30/493896830.db2.gz JQLJFTFIERVKNT-UHFFFAOYSA-N 1 2 368.393 3.369 20 5 FGBDLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000069162898 493930461 /nfs/dbraw/zinc/93/04/61/493930461.db2.gz CHWKCDXFYZASEA-KPZWWZAWSA-N 1 2 357.385 3.404 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032039549 493971803 /nfs/dbraw/zinc/97/18/03/493971803.db2.gz QUJZHDPLTHMSMA-UHFFFAOYSA-N 1 2 354.341 3.192 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051559786 493975789 /nfs/dbraw/zinc/97/57/89/493975789.db2.gz OLXIJCJCUFUQBZ-UHFFFAOYSA-N 1 2 357.410 3.107 20 5 FGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051559786 493975792 /nfs/dbraw/zinc/97/57/92/493975792.db2.gz OLXIJCJCUFUQBZ-UHFFFAOYSA-N 1 2 357.410 3.107 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000032499238 493993792 /nfs/dbraw/zinc/99/37/92/493993792.db2.gz ZSQOIQMQXQWUGI-UHFFFAOYSA-N 1 2 353.422 3.170 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007017145 493994151 /nfs/dbraw/zinc/99/41/51/493994151.db2.gz VJEWRWRQQQTYBG-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007017145 493994155 /nfs/dbraw/zinc/99/41/55/493994155.db2.gz VJEWRWRQQQTYBG-UHFFFAOYSA-N 1 2 370.409 3.014 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000061900190 493999019 /nfs/dbraw/zinc/99/90/19/493999019.db2.gz ITYCUBDBXHUFTL-UHFFFAOYSA-N 1 2 354.410 3.156 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000052690007 494053746 /nfs/dbraw/zinc/05/37/46/494053746.db2.gz VKTSGSAAPBEFLP-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000052690007 494053750 /nfs/dbraw/zinc/05/37/50/494053750.db2.gz VKTSGSAAPBEFLP-UHFFFAOYSA-N 1 2 356.382 3.120 20 5 FGBDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000052751104 494059822 /nfs/dbraw/zinc/05/98/22/494059822.db2.gz TXRKOEUENFVFDL-INIZCTEOSA-N 1 2 353.422 3.422 20 5 FGBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000070881372 494064796 /nfs/dbraw/zinc/06/47/96/494064796.db2.gz KJLLNYWVLHDTTI-KRWDZBQOSA-N 1 2 357.410 3.113 20 5 FGBDLO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008120779 494069339 /nfs/dbraw/zinc/06/93/39/494069339.db2.gz OXNGMGPEMBDLKD-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008120779 494069343 /nfs/dbraw/zinc/06/93/43/494069343.db2.gz OXNGMGPEMBDLKD-UHFFFAOYSA-N 1 2 363.801 3.198 20 5 FGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053231947 494107719 /nfs/dbraw/zinc/10/77/19/494107719.db2.gz ZRLYHLQUKJRZRM-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053231947 494107721 /nfs/dbraw/zinc/10/77/21/494107721.db2.gz ZRLYHLQUKJRZRM-UHFFFAOYSA-N 1 2 369.396 3.288 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000085638151 494135614 /nfs/dbraw/zinc/13/56/14/494135614.db2.gz NVMOWLMZKNULSZ-UHFFFAOYSA-N 1 2 358.398 3.154 20 5 FGBDLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000077688823 494144859 /nfs/dbraw/zinc/14/48/59/494144859.db2.gz ZTVZHLFIDLOSRZ-DOMZBBRYSA-N 1 2 366.377 3.427 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234815 494145397 /nfs/dbraw/zinc/14/53/97/494145397.db2.gz YPLBUGDHFAZVAA-LBPRGKRZSA-N 1 2 359.382 3.361 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234815 494145399 /nfs/dbraw/zinc/14/53/99/494145399.db2.gz YPLBUGDHFAZVAA-LBPRGKRZSA-N 1 2 359.382 3.361 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606976 494253316 /nfs/dbraw/zinc/25/33/16/494253316.db2.gz GMIBPGZWZFJYRZ-UHFFFAOYSA-N 1 2 353.422 3.002 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606976 494253318 /nfs/dbraw/zinc/25/33/18/494253318.db2.gz GMIBPGZWZFJYRZ-UHFFFAOYSA-N 1 2 353.422 3.002 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000073117958 494324526 /nfs/dbraw/zinc/32/45/26/494324526.db2.gz AIDWUOHWRQJBDQ-INIZCTEOSA-N 1 2 365.437 3.121 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571357 494360165 /nfs/dbraw/zinc/36/01/65/494360165.db2.gz UVHGXJNNTPPMHW-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571357 494360170 /nfs/dbraw/zinc/36/01/70/494360170.db2.gz UVHGXJNNTPPMHW-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO Cc1sc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000055816784 494410255 /nfs/dbraw/zinc/41/02/55/494410255.db2.gz CJKGRGJMNVEGKI-UHFFFAOYSA-N 1 2 361.423 3.049 20 5 FGBDLO CCC(CC)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC ZINC000577415727 505722961 /nfs/dbraw/zinc/72/29/61/505722961.db2.gz KCKLBTUZUNCUDF-UHFFFAOYSA-N 1 2 361.398 3.114 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000067031589 494458083 /nfs/dbraw/zinc/45/80/83/494458083.db2.gz PSTAPTGMQWVKMH-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000046387562 494523759 /nfs/dbraw/zinc/52/37/59/494523759.db2.gz AAHWRJAAYPEHNJ-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000574250212 505729869 /nfs/dbraw/zinc/72/98/69/505729869.db2.gz TZKHJTODNBFULF-NSHDSACASA-N 1 2 366.311 3.286 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000574250212 505729874 /nfs/dbraw/zinc/72/98/74/505729874.db2.gz TZKHJTODNBFULF-NSHDSACASA-N 1 2 366.311 3.286 20 5 FGBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047123319 494638482 /nfs/dbraw/zinc/63/84/82/494638482.db2.gz YACJSFNBBSFKNX-UHFFFAOYSA-N 1 2 360.801 3.042 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000092758833 494737692 /nfs/dbraw/zinc/73/76/92/494737692.db2.gz XLOPAESQSGPMIM-MRXNPFEDSA-N 1 2 370.453 3.348 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000091978166 494739942 /nfs/dbraw/zinc/73/99/42/494739942.db2.gz RNWXEACZDFQYHT-UHFFFAOYSA-N 1 2 371.418 3.361 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000121500412 494782296 /nfs/dbraw/zinc/78/22/96/494782296.db2.gz HDQCQUGOZNKEKJ-AWEZNQCLSA-N 1 2 374.466 3.114 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCN(c4cccs4)CC3)o2)cc1 ZINC000121525288 494791631 /nfs/dbraw/zinc/79/16/31/494791631.db2.gz RUSYZYQBHWRPSH-UHFFFAOYSA-N 1 2 371.422 3.029 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968442 494797530 /nfs/dbraw/zinc/79/75/30/494797530.db2.gz JGCHFCUEPFXTMK-CQSZACIVSA-N 1 2 352.341 3.230 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968442 494797534 /nfs/dbraw/zinc/79/75/34/494797534.db2.gz JGCHFCUEPFXTMK-CQSZACIVSA-N 1 2 352.341 3.230 20 5 FGBDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026346535 494820575 /nfs/dbraw/zinc/82/05/75/494820575.db2.gz URFJERRLPPBBLJ-GOSISDBHSA-N 1 2 353.422 3.220 20 5 FGBDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000026346535 494820580 /nfs/dbraw/zinc/82/05/80/494820580.db2.gz URFJERRLPPBBLJ-GOSISDBHSA-N 1 2 353.422 3.220 20 5 FGBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000121703690 494842048 /nfs/dbraw/zinc/84/20/48/494842048.db2.gz ZCIRADQTVJIOOW-OAHLLOKOSA-N 1 2 368.842 3.124 20 5 FGBDLO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000093528211 494897608 /nfs/dbraw/zinc/89/76/08/494897608.db2.gz YATTXUUBSLIRNF-AWEZNQCLSA-N 1 2 366.801 3.355 20 5 FGBDLO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000093528211 494897610 /nfs/dbraw/zinc/89/76/10/494897610.db2.gz YATTXUUBSLIRNF-AWEZNQCLSA-N 1 2 366.801 3.355 20 5 FGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000093608106 494903036 /nfs/dbraw/zinc/90/30/36/494903036.db2.gz KBFBRCMRANLBQB-RDTXWAMCSA-N 1 2 369.421 3.269 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4nc[nH]n4)CC3)cs2)c1 ZINC000093646005 494906403 /nfs/dbraw/zinc/90/64/03/494906403.db2.gz JNDAAYHAVTVFRV-UHFFFAOYSA-N 1 2 370.438 3.216 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132958071 494948502 /nfs/dbraw/zinc/94/85/02/494948502.db2.gz NSCOGQWMFCJVLK-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132958071 494948508 /nfs/dbraw/zinc/94/85/08/494948508.db2.gz NSCOGQWMFCJVLK-LLVKDONJSA-N 1 2 361.423 3.050 20 5 FGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000110936841 495022355 /nfs/dbraw/zinc/02/23/55/495022355.db2.gz QLPOVCNCCQWUQX-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000097497832 495037869 /nfs/dbraw/zinc/03/78/69/495037869.db2.gz GEUGASZUXUSSDS-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000097497832 495037872 /nfs/dbraw/zinc/03/78/72/495037872.db2.gz GEUGASZUXUSSDS-UHFFFAOYSA-N 1 2 363.414 3.144 20 5 FGBDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123264866 495105084 /nfs/dbraw/zinc/10/50/84/495105084.db2.gz VGCFKEOINZYHFI-AOOOYVTPSA-N 1 2 356.220 3.169 20 5 FGBDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123264866 495105086 /nfs/dbraw/zinc/10/50/86/495105086.db2.gz VGCFKEOINZYHFI-AOOOYVTPSA-N 1 2 356.220 3.169 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000128633827 495127011 /nfs/dbraw/zinc/12/70/11/495127011.db2.gz KFTWAJYUMVGMSA-UHFFFAOYSA-N 1 2 365.480 3.238 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119405528 495160345 /nfs/dbraw/zinc/16/03/45/495160345.db2.gz KNMAXMYHGMRFTG-UHFFFAOYSA-N 1 2 364.833 3.171 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000571610956 505772167 /nfs/dbraw/zinc/77/21/67/505772167.db2.gz FIPPZDDNNKMGSQ-KHYOSLBOSA-N 1 2 364.442 3.150 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000571610956 505772171 /nfs/dbraw/zinc/77/21/71/505772171.db2.gz FIPPZDDNNKMGSQ-KHYOSLBOSA-N 1 2 364.442 3.150 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131037374 495483270 /nfs/dbraw/zinc/48/32/70/495483270.db2.gz HIJVKEIVCWGAIV-UHFFFAOYSA-N 1 2 370.384 3.141 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000106876077 495505054 /nfs/dbraw/zinc/50/50/54/495505054.db2.gz DVMPMAGCNSQCCR-GFCCVEGCSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000106876077 495505057 /nfs/dbraw/zinc/50/50/57/495505057.db2.gz DVMPMAGCNSQCCR-GFCCVEGCSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000106876080 495505343 /nfs/dbraw/zinc/50/53/43/495505343.db2.gz DVMPMAGCNSQCCR-LBPRGKRZSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000106876080 495505344 /nfs/dbraw/zinc/50/53/44/495505344.db2.gz DVMPMAGCNSQCCR-LBPRGKRZSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1oncc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000158617097 495551713 /nfs/dbraw/zinc/55/17/13/495551713.db2.gz YGRJAYKMJLVSGJ-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(C)noc1C ZINC000182416484 495555791 /nfs/dbraw/zinc/55/57/91/495555791.db2.gz BZBMMADNOIQMPC-AWEZNQCLSA-N 1 2 357.370 3.491 20 5 FGBDLO Cc1csc([C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000182611348 495636612 /nfs/dbraw/zinc/63/66/12/495636612.db2.gz WBEVKSMUEQYUML-LLVKDONJSA-N 1 2 371.422 3.079 20 5 FGBDLO Cc1cc2[nH+]cn(C[C@H](O)CSc3ccc([N+](=O)[O-])cn3)c2cc1C ZINC000159178546 495676728 /nfs/dbraw/zinc/67/67/28/495676728.db2.gz IJBDEEDESWMJDC-AWEZNQCLSA-N 1 2 358.423 3.110 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000176619496 495722383 /nfs/dbraw/zinc/72/23/83/495722383.db2.gz RUNLESUNVMHMJI-GFCCVEGCSA-N 1 2 363.414 3.314 20 5 FGBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000183203897 495879355 /nfs/dbraw/zinc/87/93/55/495879355.db2.gz OIBYMKRHYDCNBH-NXHOZURCSA-N 1 2 354.410 3.304 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)nc2c1 ZINC000177024502 495889134 /nfs/dbraw/zinc/88/91/34/495889134.db2.gz YXDBKEMULZANQQ-UHFFFAOYSA-N 1 2 373.800 3.107 20 5 FGBDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155520749 495981151 /nfs/dbraw/zinc/98/11/51/495981151.db2.gz JARVWDVTKCKRJB-UHFFFAOYSA-N 1 2 374.441 3.280 20 5 FGBDLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000177290379 496007639 /nfs/dbraw/zinc/00/76/39/496007639.db2.gz RBROZNOWDZAZCF-UHFFFAOYSA-N 1 2 373.478 3.323 20 5 FGBDLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000177290379 496007645 /nfs/dbraw/zinc/00/76/45/496007645.db2.gz RBROZNOWDZAZCF-UHFFFAOYSA-N 1 2 373.478 3.323 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000177394725 496045179 /nfs/dbraw/zinc/04/51/79/496045179.db2.gz XOYRMUQWEOPHRI-CYBMUJFWSA-N 1 2 373.434 3.332 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000177394725 496045184 /nfs/dbraw/zinc/04/51/84/496045184.db2.gz XOYRMUQWEOPHRI-CYBMUJFWSA-N 1 2 373.434 3.332 20 5 FGBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174862398 496137669 /nfs/dbraw/zinc/13/76/69/496137669.db2.gz ZHCRTAQUJRIYIV-UHFFFAOYSA-N 1 2 354.410 3.253 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000175071521 496236640 /nfs/dbraw/zinc/23/66/40/496236640.db2.gz BQWIEDHIOFBVLM-UHFFFAOYSA-N 1 2 357.410 3.021 20 5 FGBDLO Cc1c(Br)cc(C(=O)Nc2cc[nH+]cc2O)cc1[N+](=O)[O-] ZINC000156446323 496248129 /nfs/dbraw/zinc/24/81/29/496248129.db2.gz QDJWEQKNJNNOAM-UHFFFAOYSA-N 1 2 352.144 3.019 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172378717 496274505 /nfs/dbraw/zinc/27/45/05/496274505.db2.gz CNCQTDHFAXWSGZ-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184236409 496298799 /nfs/dbraw/zinc/29/87/99/496298799.db2.gz BCTIACMNNDJYDX-IBGZPJMESA-N 1 2 360.385 3.490 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184236409 496298804 /nfs/dbraw/zinc/29/88/04/496298804.db2.gz BCTIACMNNDJYDX-IBGZPJMESA-N 1 2 360.385 3.490 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135586 496363661 /nfs/dbraw/zinc/36/36/61/496363661.db2.gz ORFGTXVMNVBTBI-CQSZACIVSA-N 1 2 371.412 3.312 20 5 FGBDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135586 496363666 /nfs/dbraw/zinc/36/36/66/496363666.db2.gz ORFGTXVMNVBTBI-CQSZACIVSA-N 1 2 371.412 3.312 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153331118 496423239 /nfs/dbraw/zinc/42/32/39/496423239.db2.gz GWOJGFKOZMERFD-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153331118 496423246 /nfs/dbraw/zinc/42/32/46/496423246.db2.gz GWOJGFKOZMERFD-UHFFFAOYSA-N 1 2 359.451 3.279 20 5 FGBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000184617597 496465661 /nfs/dbraw/zinc/46/56/61/496465661.db2.gz LVZHENOFNHRXAY-LLVKDONJSA-N 1 2 372.324 3.275 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184717830 496505185 /nfs/dbraw/zinc/50/51/85/496505185.db2.gz LYHGVFUPWFFZNR-MRXNPFEDSA-N 1 2 356.426 3.224 20 5 FGBDLO NC(=O)c1coc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000187729324 496549090 /nfs/dbraw/zinc/54/90/90/496549090.db2.gz OGJUPPISBYYFKH-SFHVURJKSA-N 1 2 351.362 3.166 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000184842457 496554134 /nfs/dbraw/zinc/55/41/34/496554134.db2.gz VBFFUNTZTKXCFZ-MLGOLLRUSA-N 1 2 361.398 3.055 20 5 FGBDLO CSc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188080702 496675889 /nfs/dbraw/zinc/67/58/89/496675889.db2.gz FFTJPIZDNYNQAA-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO COc1cccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185161503 496685735 /nfs/dbraw/zinc/68/57/35/496685735.db2.gz BBFYHUOTLAGTCE-QGZVFWFLSA-N 1 2 357.410 3.089 20 5 FGBDLO CSc1cccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000188159231 496704734 /nfs/dbraw/zinc/70/47/34/496704734.db2.gz KHBHYZHEXFMEQB-UHFFFAOYSA-N 1 2 374.466 3.372 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000182202942 496706855 /nfs/dbraw/zinc/70/68/55/496706855.db2.gz SSPAYMSFLNBEHM-UHFFFAOYSA-N 1 2 360.435 3.033 20 5 FGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000182202942 496706860 /nfs/dbraw/zinc/70/68/60/496706860.db2.gz SSPAYMSFLNBEHM-UHFFFAOYSA-N 1 2 360.435 3.033 20 5 FGBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000273193857 496735643 /nfs/dbraw/zinc/73/56/43/496735643.db2.gz OHUWXDXZJUAJNW-UHFFFAOYSA-N 1 2 357.292 3.011 20 5 FGBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000247019822 496753954 /nfs/dbraw/zinc/75/39/54/496753954.db2.gz UMJAFYMBTQMTAC-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000247019822 496753957 /nfs/dbraw/zinc/75/39/57/496753957.db2.gz UMJAFYMBTQMTAC-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1)[NH+]1CCOCC1 ZINC000264182345 496830574 /nfs/dbraw/zinc/83/05/74/496830574.db2.gz FALJESWJZRGIJT-LBPRGKRZSA-N 1 2 361.423 3.302 20 5 FGBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191669813 496851485 /nfs/dbraw/zinc/85/14/85/496851485.db2.gz YRNXQBUIWRXYQM-SFHVURJKSA-N 1 2 369.421 3.041 20 5 FGBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191669813 496851488 /nfs/dbraw/zinc/85/14/88/496851488.db2.gz YRNXQBUIWRXYQM-SFHVURJKSA-N 1 2 369.421 3.041 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000277687631 496853668 /nfs/dbraw/zinc/85/36/68/496853668.db2.gz XABKQWVAVDDJAZ-UHFFFAOYSA-N 1 2 369.425 3.387 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000277726927 496867742 /nfs/dbraw/zinc/86/77/42/496867742.db2.gz OGIJNBDHNSMFGI-UHFFFAOYSA-N 1 2 357.410 3.176 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000572055761 505878387 /nfs/dbraw/zinc/87/83/87/505878387.db2.gz LXGFKFHGWYAXBD-LLVKDONJSA-N 1 2 356.304 3.311 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248782621 497103948 /nfs/dbraw/zinc/10/39/48/497103948.db2.gz WXZFBUKYQAIMPF-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248782621 497103954 /nfs/dbraw/zinc/10/39/54/497103954.db2.gz WXZFBUKYQAIMPF-VLIAUNLRSA-N 1 2 367.405 3.053 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](O)C(F)(F)F ZINC000189500311 497140339 /nfs/dbraw/zinc/14/03/39/497140339.db2.gz NIYFIIBFZFJMMV-CQSZACIVSA-N 1 2 350.337 3.127 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](O)C(F)(F)F ZINC000189500311 497140342 /nfs/dbraw/zinc/14/03/42/497140342.db2.gz NIYFIIBFZFJMMV-CQSZACIVSA-N 1 2 350.337 3.127 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634446 497171056 /nfs/dbraw/zinc/17/10/56/497171056.db2.gz NFNQHYMJTRGSEK-HUUCEWRRSA-N 1 2 353.422 3.393 20 5 FGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634446 497171061 /nfs/dbraw/zinc/17/10/61/497171061.db2.gz NFNQHYMJTRGSEK-HUUCEWRRSA-N 1 2 353.422 3.393 20 5 FGBDLO COc1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000193075511 497294837 /nfs/dbraw/zinc/29/48/37/497294837.db2.gz XRSQHBLUJIEXCZ-UHFFFAOYSA-N 1 2 354.366 3.209 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000279289489 497395391 /nfs/dbraw/zinc/39/53/91/497395391.db2.gz YMYVSTCFXIKZPO-SFHVURJKSA-N 1 2 368.437 3.113 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCC[C@H]2N1 ZINC000245564250 497458256 /nfs/dbraw/zinc/45/82/56/497458256.db2.gz QINBVXGFQHCZHM-NVXWUHKLSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCC[C@H]2N1 ZINC000245564250 497458260 /nfs/dbraw/zinc/45/82/60/497458260.db2.gz QINBVXGFQHCZHM-NVXWUHKLSA-N 1 2 355.394 3.098 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279523686 497462431 /nfs/dbraw/zinc/46/24/31/497462431.db2.gz LZWDWAYGLORKDI-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO CC(C)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000194336513 497638166 /nfs/dbraw/zinc/63/81/66/497638166.db2.gz LUPANADDZUHCEU-HNNXBMFYSA-N 1 2 363.458 3.449 20 5 FGBDLO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497562 497643735 /nfs/dbraw/zinc/64/37/35/497643735.db2.gz GGRPXRVOYGLRNJ-RBUKOAKNSA-N 1 2 366.421 3.049 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246214111 497662569 /nfs/dbraw/zinc/66/25/69/497662569.db2.gz FDPLODMEZLLJME-SWLSCSKDSA-N 1 2 367.764 3.156 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246214111 497662576 /nfs/dbraw/zinc/66/25/76/497662576.db2.gz FDPLODMEZLLJME-SWLSCSKDSA-N 1 2 367.764 3.156 20 5 FGBDLO CCc1cnc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272575188 497667096 /nfs/dbraw/zinc/66/70/96/497667096.db2.gz WZKIAIBCQJVKKY-MRXNPFEDSA-N 1 2 357.439 3.226 20 5 FGBDLO C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268469033 497759153 /nfs/dbraw/zinc/75/91/53/497759153.db2.gz HETSEHOHPWYJRN-GXFFZTMASA-N 1 2 366.219 3.036 20 5 FGBDLO Nc1ccc(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1[N+](=O)[O-] ZINC000364234013 497851761 /nfs/dbraw/zinc/85/17/61/497851761.db2.gz IYRWDSUWOAIBKY-CYBMUJFWSA-N 1 2 366.381 3.006 20 5 FGBDLO CCC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782114 497898356 /nfs/dbraw/zinc/89/83/56/497898356.db2.gz KMGBDPHLQABARO-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288782114 497898359 /nfs/dbraw/zinc/89/83/59/497898359.db2.gz KMGBDPHLQABARO-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296045636 497902047 /nfs/dbraw/zinc/90/20/47/497902047.db2.gz YVDJHLYNDUQNAK-CYBMUJFWSA-N 1 2 364.352 3.030 20 5 FGBDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000280873782 497930752 /nfs/dbraw/zinc/93/07/52/497930752.db2.gz YEYBTIOMDMNKGS-UHFFFAOYSA-N 1 2 373.434 3.102 20 5 FGBDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000301264901 498028934 /nfs/dbraw/zinc/02/89/34/498028934.db2.gz GHVYPSXQUKTBQQ-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000285401025 498073424 /nfs/dbraw/zinc/07/34/24/498073424.db2.gz DZUXOOIFZNIKSQ-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000285401025 498073430 /nfs/dbraw/zinc/07/34/30/498073430.db2.gz DZUXOOIFZNIKSQ-UHFFFAOYSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)nc2c1 ZINC000285422051 498079863 /nfs/dbraw/zinc/07/98/63/498079863.db2.gz DTKIYEQBYNQHJF-CQSZACIVSA-N 1 2 359.304 3.015 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)nc2c1 ZINC000285422051 498079870 /nfs/dbraw/zinc/07/98/70/498079870.db2.gz DTKIYEQBYNQHJF-CQSZACIVSA-N 1 2 359.304 3.015 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nncn1C ZINC000285437761 498085275 /nfs/dbraw/zinc/08/52/75/498085275.db2.gz IATZBQFHPVEKAM-QGZVFWFLSA-N 1 2 355.398 3.470 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289297124 498095067 /nfs/dbraw/zinc/09/50/67/498095067.db2.gz HUMORVSXAPFMHG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289297124 498095073 /nfs/dbraw/zinc/09/50/73/498095073.db2.gz HUMORVSXAPFMHG-CQSZACIVSA-N 1 2 352.394 3.106 20 5 FGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285492098 498104197 /nfs/dbraw/zinc/10/41/97/498104197.db2.gz CBZXCODVDUTKNW-UHFFFAOYSA-N 1 2 357.370 3.275 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301425008 498104895 /nfs/dbraw/zinc/10/48/95/498104895.db2.gz BRYKIGLVKPNYJB-UHFFFAOYSA-N 1 2 352.316 3.335 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289331225 498107609 /nfs/dbraw/zinc/10/76/09/498107609.db2.gz KYJHXLNMAGFWIP-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289331225 498107614 /nfs/dbraw/zinc/10/76/14/498107614.db2.gz KYJHXLNMAGFWIP-AWEZNQCLSA-N 1 2 374.828 3.461 20 5 FGBDLO Cc1cc(NCc2csc(N(C)C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301484421 498129644 /nfs/dbraw/zinc/12/96/44/498129644.db2.gz VHVPIEWGDVIGIL-UHFFFAOYSA-N 1 2 370.438 3.495 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301647578 498205119 /nfs/dbraw/zinc/20/51/19/498205119.db2.gz DQMAZXITTVARNI-CYBMUJFWSA-N 1 2 364.199 3.410 20 5 FGBDLO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959608 498225373 /nfs/dbraw/zinc/22/53/73/498225373.db2.gz AZCIJMNJBQVTTO-BZNIZROVSA-N 1 2 355.822 3.076 20 5 FGBDLO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330959608 498225379 /nfs/dbraw/zinc/22/53/79/498225379.db2.gz AZCIJMNJBQVTTO-BZNIZROVSA-N 1 2 355.822 3.076 20 5 FGBDLO Cc1cc(N[C@H]2CCc3n[nH]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301817248 498277128 /nfs/dbraw/zinc/27/71/28/498277128.db2.gz HURKMLMAFNXSEG-AWEZNQCLSA-N 1 2 350.382 3.053 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000365065777 498280163 /nfs/dbraw/zinc/28/01/63/498280163.db2.gz GEQOTWPIRASFRO-UHFFFAOYSA-N 1 2 366.381 3.114 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281964131 498336738 /nfs/dbraw/zinc/33/67/38/498336738.db2.gz NHJSVQIYHZYVKE-CZUORRHYSA-N 1 2 373.413 3.305 20 5 FGBDLO CCOc1cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000365188758 498342428 /nfs/dbraw/zinc/34/24/28/498342428.db2.gz FYNAPODGEMMCJW-CQSZACIVSA-N 1 2 367.409 3.425 20 5 FGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282217988 498426726 /nfs/dbraw/zinc/42/67/26/498426726.db2.gz HASGOAAKAWOHIQ-LBPRGKRZSA-N 1 2 360.439 3.209 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365513361 498506315 /nfs/dbraw/zinc/50/63/15/498506315.db2.gz NJCYWNTWHDCQJC-OAHLLOKOSA-N 1 2 369.402 3.498 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000362858358 498566672 /nfs/dbraw/zinc/56/66/72/498566672.db2.gz AMDBWRQDSMVKEL-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000362858358 498566677 /nfs/dbraw/zinc/56/66/77/498566677.db2.gz AMDBWRQDSMVKEL-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000364042574 499096813 /nfs/dbraw/zinc/09/68/13/499096813.db2.gz ORIUONTVOQPAGN-SJORKVTESA-N 1 2 370.453 3.362 20 5 FGBDLO Cc1nc(CO[C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cs1 ZINC000366915822 499114762 /nfs/dbraw/zinc/11/47/62/499114762.db2.gz KZYKLBMKWOVHLY-OAHLLOKOSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1nc(CO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cs1 ZINC000366915822 499114764 /nfs/dbraw/zinc/11/47/64/499114764.db2.gz KZYKLBMKWOVHLY-OAHLLOKOSA-N 1 2 351.403 3.290 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369799247 499130959 /nfs/dbraw/zinc/13/09/59/499130959.db2.gz LDYFEVAFUKZBHA-AWEZNQCLSA-N 1 2 357.414 3.357 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000370101630 499180632 /nfs/dbraw/zinc/18/06/32/499180632.db2.gz LTKUGWNKXNQCBW-UHFFFAOYSA-N 1 2 360.439 3.122 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000370343965 499211557 /nfs/dbraw/zinc/21/15/57/499211557.db2.gz SKBAULMZWZFEQY-UHFFFAOYSA-N 1 2 354.341 3.064 20 5 FGBDLO C[C@@H](c1nccn1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877697 499240901 /nfs/dbraw/zinc/24/09/01/499240901.db2.gz MZGPTQGNVPCOPF-RDJZCZTQSA-N 1 2 366.425 3.375 20 5 FGBDLO C[C@@H](c1nccn1-c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367877697 499240903 /nfs/dbraw/zinc/24/09/03/499240903.db2.gz MZGPTQGNVPCOPF-RDJZCZTQSA-N 1 2 366.425 3.375 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370707954 499246481 /nfs/dbraw/zinc/24/64/81/499246481.db2.gz KRKXZATVKGICAZ-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370707954 499246482 /nfs/dbraw/zinc/24/64/82/499246482.db2.gz KRKXZATVKGICAZ-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000373102881 499451557 /nfs/dbraw/zinc/45/15/57/499451557.db2.gz CCDTZEOWKVGFJB-AWEZNQCLSA-N 1 2 372.428 3.424 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000375779270 499554998 /nfs/dbraw/zinc/55/49/98/499554998.db2.gz XCJMZJJXXLREMW-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000375779270 499554999 /nfs/dbraw/zinc/55/49/99/499554999.db2.gz XCJMZJJXXLREMW-INIZCTEOSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1cc(C=C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000376196050 499590162 /nfs/dbraw/zinc/59/01/62/499590162.db2.gz MKFPTWGELGPXSA-CQSZACIVSA-N 1 2 370.409 3.398 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000413292656 499938341 /nfs/dbraw/zinc/93/83/41/499938341.db2.gz DQBMYYNVJAAHHM-JCGIZDLHSA-N 1 2 354.410 3.202 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)c2c1 ZINC000413297854 499938704 /nfs/dbraw/zinc/93/87/04/499938704.db2.gz RVEZEBBXHOIBCH-WMLDXEAASA-N 1 2 357.410 3.123 20 5 FGBDLO CC(C)c1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000413329886 499942064 /nfs/dbraw/zinc/94/20/64/499942064.db2.gz JRQUQFJILNJYOL-UHFFFAOYSA-N 1 2 370.457 3.353 20 5 FGBDLO COC(=O)[C@]1(C)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000413598804 500000739 /nfs/dbraw/zinc/00/07/39/500000739.db2.gz ZHBWJZQSJYBIGV-LJQANCHMSA-N 1 2 370.409 3.140 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000425412583 500097048 /nfs/dbraw/zinc/09/70/48/500097048.db2.gz FVNDJQBNWNCPNW-GXTWGEPZSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000425412583 500097050 /nfs/dbraw/zinc/09/70/50/500097050.db2.gz FVNDJQBNWNCPNW-GXTWGEPZSA-N 1 2 373.272 3.064 20 5 FGBDLO Cc1noc(C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000429557354 500101963 /nfs/dbraw/zinc/10/19/63/500101963.db2.gz JHHJBEMBFKDCNA-INIZCTEOSA-N 1 2 356.357 3.499 20 5 FGBDLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000425433630 500104947 /nfs/dbraw/zinc/10/49/47/500104947.db2.gz NVSOBQKKTCCABS-GFCCVEGCSA-N 1 2 355.188 3.428 20 5 FGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430201060 500207636 /nfs/dbraw/zinc/20/76/36/500207636.db2.gz ITHMXFJWVUHCNF-MRXNPFEDSA-N 1 2 352.337 3.359 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000430214748 500209918 /nfs/dbraw/zinc/20/99/18/500209918.db2.gz COFHNQHMWHGYEV-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000430214748 500209921 /nfs/dbraw/zinc/20/99/21/500209921.db2.gz COFHNQHMWHGYEV-UHFFFAOYSA-N 1 2 368.231 3.336 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000573428769 506192712 /nfs/dbraw/zinc/19/27/12/506192712.db2.gz UGFXXZOSEKXVFF-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000573428769 506192717 /nfs/dbraw/zinc/19/27/17/506192717.db2.gz UGFXXZOSEKXVFF-AWEZNQCLSA-N 1 2 352.394 3.106 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(O)(C(F)F)CC3)cs2)c1 ZINC000428445285 500510704 /nfs/dbraw/zinc/51/07/04/500510704.db2.gz FXPCYJHVEJJPRQ-UHFFFAOYSA-N 1 2 369.393 3.310 20 5 FGBDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000432941518 500594491 /nfs/dbraw/zinc/59/44/91/500594491.db2.gz ZNMHPZLXIHINQV-CYBMUJFWSA-N 1 2 373.409 3.166 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437577151 500662791 /nfs/dbraw/zinc/66/27/91/500662791.db2.gz LLTRQCCJWRUUFJ-CXAGYDPISA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437577151 500662794 /nfs/dbraw/zinc/66/27/94/500662794.db2.gz LLTRQCCJWRUUFJ-CXAGYDPISA-N 1 2 355.394 3.377 20 5 FGBDLO C[C@H](CCc1ccco1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816401 500668823 /nfs/dbraw/zinc/66/88/23/500668823.db2.gz JDCJOAKDTXEFQK-OAHLLOKOSA-N 1 2 359.426 3.453 20 5 FGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653907 500873695 /nfs/dbraw/zinc/87/36/95/500873695.db2.gz VRALCBLVQJURAG-QDXKXIGTSA-N 1 2 372.450 3.402 20 5 FGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653907 500873697 /nfs/dbraw/zinc/87/36/97/500873697.db2.gz VRALCBLVQJURAG-QDXKXIGTSA-N 1 2 372.450 3.402 20 5 FGBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000444781404 500899186 /nfs/dbraw/zinc/89/91/86/500899186.db2.gz AMZWUBKSYHWDNB-GOSISDBHSA-N 1 2 350.415 3.301 20 5 FGBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000444781404 500899188 /nfs/dbraw/zinc/89/91/88/500899188.db2.gz AMZWUBKSYHWDNB-GOSISDBHSA-N 1 2 350.415 3.301 20 5 FGBDLO CCc1cc(N[C@@H](CC)C[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439714551 500930311 /nfs/dbraw/zinc/93/03/11/500930311.db2.gz LWXQMWRDTBNVPZ-ZFWWWQNUSA-N 1 2 358.442 3.245 20 5 FGBDLO CCc1nnc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000449345518 500982788 /nfs/dbraw/zinc/98/27/88/500982788.db2.gz IFBBIOBHNVEHDY-UHFFFAOYSA-N 1 2 366.425 3.333 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611609132 506228108 /nfs/dbraw/zinc/22/81/08/506228108.db2.gz HQPCTUWOHBZXCP-NSHDSACASA-N 1 2 352.284 3.400 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611609132 506228115 /nfs/dbraw/zinc/22/81/15/506228115.db2.gz HQPCTUWOHBZXCP-NSHDSACASA-N 1 2 352.284 3.400 20 5 FGBDLO COc1cc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000445967113 501056417 /nfs/dbraw/zinc/05/64/17/501056417.db2.gz XCYKYYSVPMKIBB-UHFFFAOYSA-N 1 2 370.340 3.313 20 5 FGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCC[C@H]2O1 ZINC000440959232 501068053 /nfs/dbraw/zinc/06/80/53/501068053.db2.gz RXVKSJLSCPMLQE-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCC[C@H]2O1 ZINC000440959232 501068055 /nfs/dbraw/zinc/06/80/55/501068055.db2.gz RXVKSJLSCPMLQE-HUUCEWRRSA-N 1 2 358.398 3.177 20 5 FGBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000441489940 501147053 /nfs/dbraw/zinc/14/70/53/501147053.db2.gz PMDHLEHRAVEGGH-OAHLLOKOSA-N 1 2 354.366 3.172 20 5 FGBDLO CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450774237 501205566 /nfs/dbraw/zinc/20/55/66/501205566.db2.gz NVWZWICFSWBNHJ-CRAIPNDOSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1cc(N2CC[C@H](O)CC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450856513 501219261 /nfs/dbraw/zinc/21/92/61/501219261.db2.gz OVWMIAOAJFLRDG-INIZCTEOSA-N 1 2 356.426 3.348 20 5 FGBDLO Cc1cc(NCc2cnc(C3CC3)o2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450917714 501229200 /nfs/dbraw/zinc/22/92/00/501229200.db2.gz UERXBVJXBVROHR-UHFFFAOYSA-N 1 2 351.366 3.260 20 5 FGBDLO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000451079927 501243947 /nfs/dbraw/zinc/24/39/47/501243947.db2.gz BKDYZNUEFBYUBH-ZDUSSCGKSA-N 1 2 367.452 3.006 20 5 FGBDLO COC(=O)c1cc(NC(=O)NCc2c[nH+]c(C)cc2C)c(C)c([N+](=O)[O-])c1 ZINC000455261530 501257856 /nfs/dbraw/zinc/25/78/56/501257856.db2.gz WBDIDTLSNRKZMY-UHFFFAOYSA-N 1 2 372.381 3.023 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455459059 501308528 /nfs/dbraw/zinc/30/85/28/501308528.db2.gz AUKBYRHFBGVSPD-HOCLYGCPSA-N 1 2 371.441 3.461 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH+]2CC(C3CCOCC3)C2)cc1Br ZINC000602655126 506247632 /nfs/dbraw/zinc/24/76/32/506247632.db2.gz ZESIIYAEHBTVDL-UHFFFAOYSA-N 1 2 361.261 3.277 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000451832025 501381981 /nfs/dbraw/zinc/38/19/81/501381981.db2.gz GCXZBUINOHLXCT-QGZVFWFLSA-N 1 2 352.394 3.185 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452181228 501455735 /nfs/dbraw/zinc/45/57/35/501455735.db2.gz HVEVRKFOIZYDGI-ZDUSSCGKSA-N 1 2 352.394 3.384 20 5 FGBDLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456133891 501461465 /nfs/dbraw/zinc/46/14/65/501461465.db2.gz GFZZUWGIUITSHS-ZBFHGGJFSA-N 1 2 354.410 3.144 20 5 FGBDLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456133889 501461587 /nfs/dbraw/zinc/46/15/87/501461587.db2.gz GFZZUWGIUITSHS-GOEBONIOSA-N 1 2 354.410 3.144 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456240788 501479914 /nfs/dbraw/zinc/47/99/14/501479914.db2.gz CWXSKLCJOXYOBM-CRAIPNDOSA-N 1 2 352.394 3.041 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000452751316 501556332 /nfs/dbraw/zinc/55/63/32/501556332.db2.gz GPIZIAKFAKGCMQ-UHFFFAOYSA-N 1 2 354.288 3.399 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000454527910 501569896 /nfs/dbraw/zinc/56/98/96/501569896.db2.gz VUSXHNDDOKUASR-LDYMZIIASA-N 1 2 367.312 3.220 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2[nH+]ccn21 ZINC000459124102 501598380 /nfs/dbraw/zinc/59/83/80/501598380.db2.gz UWDFEQUEJNZARR-WFASDCNBSA-N 1 2 355.398 3.171 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000454709235 501613124 /nfs/dbraw/zinc/61/31/24/501613124.db2.gz HZDNCQBEUZOMGP-DZGCQCFKSA-N 1 2 357.414 3.038 20 5 FGBDLO O=c1[nH]ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000596118847 506266614 /nfs/dbraw/zinc/26/66/14/506266614.db2.gz GJILNIPXGOFABQ-NSHDSACASA-N 1 2 364.352 3.050 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1Br ZINC000602699034 506266925 /nfs/dbraw/zinc/26/69/25/506266925.db2.gz POEWCNGGFXQOAA-SECBINFHSA-N 1 2 361.261 3.298 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1Br ZINC000602699034 506266928 /nfs/dbraw/zinc/26/69/28/506266928.db2.gz POEWCNGGFXQOAA-SECBINFHSA-N 1 2 361.261 3.298 20 5 FGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000459548719 501674408 /nfs/dbraw/zinc/67/44/08/501674408.db2.gz QORLTYGLSCFKNZ-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000459548719 501674410 /nfs/dbraw/zinc/67/44/10/501674410.db2.gz QORLTYGLSCFKNZ-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459568747 501678340 /nfs/dbraw/zinc/67/83/40/501678340.db2.gz LCTHAODEQOKOJL-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459568747 501678343 /nfs/dbraw/zinc/67/83/43/501678343.db2.gz LCTHAODEQOKOJL-UHFFFAOYSA-N 1 2 366.849 3.247 20 5 FGBDLO CC(C)n1ncc2cc(C[NH+]3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cnc21 ZINC000459622608 501688577 /nfs/dbraw/zinc/68/85/77/501688577.db2.gz PCEYYVGYRSRWBV-UHFFFAOYSA-N 1 2 367.409 3.184 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)CC2 ZINC000474280640 501773218 /nfs/dbraw/zinc/77/32/18/501773218.db2.gz ODONSGNAVRGKSF-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccnn1-c1ccc(F)cc1)CC2 ZINC000474280640 501773220 /nfs/dbraw/zinc/77/32/20/501773220.db2.gz ODONSGNAVRGKSF-UHFFFAOYSA-N 1 2 352.369 3.478 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485545518 501855309 /nfs/dbraw/zinc/85/53/09/501855309.db2.gz OXCFFHGMKKSCKL-SFHVURJKSA-N 1 2 372.421 3.210 20 5 FGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485545518 501855314 /nfs/dbraw/zinc/85/53/14/501855314.db2.gz OXCFFHGMKKSCKL-SFHVURJKSA-N 1 2 372.421 3.210 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000485827432 501953146 /nfs/dbraw/zinc/95/31/46/501953146.db2.gz VVCMZVUACIVVGM-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000485827432 501953151 /nfs/dbraw/zinc/95/31/51/501953151.db2.gz VVCMZVUACIVVGM-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000482668507 502146263 /nfs/dbraw/zinc/14/62/63/502146263.db2.gz JSURTCUPMLGHTE-GOEBONIOSA-N 1 2 372.425 3.058 20 5 FGBDLO COc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000486445971 502156509 /nfs/dbraw/zinc/15/65/09/502156509.db2.gz COFDPHYTAOMKNC-SFHVURJKSA-N 1 2 371.437 3.397 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596186671 506299442 /nfs/dbraw/zinc/29/94/42/506299442.db2.gz WATAMXGIEUYZGT-UHFFFAOYSA-N 1 2 366.425 3.326 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000487111331 502362283 /nfs/dbraw/zinc/36/22/83/502362283.db2.gz SEIDMAVTHRKVPN-CQSZACIVSA-N 1 2 356.426 3.071 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484086209 502565856 /nfs/dbraw/zinc/56/58/56/502565856.db2.gz OGMVKOZEUJAEEN-UHFFFAOYSA-N 1 2 351.765 3.219 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484086209 502565864 /nfs/dbraw/zinc/56/58/64/502565864.db2.gz OGMVKOZEUJAEEN-UHFFFAOYSA-N 1 2 351.765 3.219 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncccc1C ZINC000466500168 502589503 /nfs/dbraw/zinc/58/95/03/502589503.db2.gz QLGZUEOBECEAJR-UHFFFAOYSA-N 1 2 351.366 3.151 20 5 FGBDLO CCc1cc(NCC(C)(C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462870493 502607117 /nfs/dbraw/zinc/60/71/17/502607117.db2.gz DXLWEQJWMQBVCH-CYBMUJFWSA-N 1 2 358.442 3.245 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000481102474 502754925 /nfs/dbraw/zinc/75/49/25/502754925.db2.gz HAKCNZVYIVADPU-UHFFFAOYSA-N 1 2 356.407 3.285 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905337 506345121 /nfs/dbraw/zinc/34/51/21/506345121.db2.gz RHKVCDXXAXZBPZ-UHFFFAOYSA-N 1 2 372.400 3.255 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513989626 503062429 /nfs/dbraw/zinc/06/24/29/503062429.db2.gz MWPMJTWBWPJRGS-KRWDZBQOSA-N 1 2 359.813 3.343 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000506772935 503169207 /nfs/dbraw/zinc/16/92/07/503169207.db2.gz BXDTWEIYCPRULH-INIZCTEOSA-N 1 2 358.394 3.265 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000506772935 503169210 /nfs/dbraw/zinc/16/92/10/503169210.db2.gz BXDTWEIYCPRULH-INIZCTEOSA-N 1 2 358.394 3.265 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000490437642 503174325 /nfs/dbraw/zinc/17/43/25/503174325.db2.gz UTGRJZCTRVXGHP-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000490437642 503174327 /nfs/dbraw/zinc/17/43/27/503174327.db2.gz UTGRJZCTRVXGHP-GOSISDBHSA-N 1 2 357.385 3.361 20 5 FGBDLO Cc1cc(NC[C@H]2COc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588860481 506360603 /nfs/dbraw/zinc/36/06/03/506360603.db2.gz DXBLNWKWCYSGMZ-HNNXBMFYSA-N 1 2 362.389 3.370 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000498906129 503289320 /nfs/dbraw/zinc/28/93/20/503289320.db2.gz UGMUWGJAUUAXQL-UHFFFAOYSA-N 1 2 369.421 3.380 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000498906129 503289323 /nfs/dbraw/zinc/28/93/23/503289323.db2.gz UGMUWGJAUUAXQL-UHFFFAOYSA-N 1 2 369.421 3.380 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000502943976 503313147 /nfs/dbraw/zinc/31/31/47/503313147.db2.gz MHIQIUQERKNPFJ-IBGZPJMESA-N 1 2 369.396 3.206 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000502943976 503313150 /nfs/dbraw/zinc/31/31/50/503313150.db2.gz MHIQIUQERKNPFJ-IBGZPJMESA-N 1 2 369.396 3.206 20 5 FGBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)n1 ZINC000503036282 503330955 /nfs/dbraw/zinc/33/09/55/503330955.db2.gz WRNJTBCECPXSNF-UHFFFAOYSA-N 1 2 373.756 3.421 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccs2)CC1 ZINC000602953857 506365690 /nfs/dbraw/zinc/36/56/90/506365690.db2.gz DOJWXQMMWLCBKI-ZDUSSCGKSA-N 1 2 374.466 3.333 20 5 FGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c[nH+]c1N1CCCC[C@H]1C ZINC000507827271 503374958 /nfs/dbraw/zinc/37/49/58/503374958.db2.gz RQZRSSKHVWXAQM-GFCCVEGCSA-N 1 2 371.397 3.030 20 5 FGBDLO CN(Cc1c(F)cccc1F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000511920626 503416055 /nfs/dbraw/zinc/41/60/55/503416055.db2.gz DZCLLZDGNOOXAR-UHFFFAOYSA-N 1 2 372.331 3.331 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593073026 506375552 /nfs/dbraw/zinc/37/55/52/506375552.db2.gz NPFCHHJAZRCCFY-UHFFFAOYSA-N 1 2 369.368 3.053 20 5 FGBDLO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000593077521 506379426 /nfs/dbraw/zinc/37/94/26/506379426.db2.gz RTCOFRMPGFBHEV-BLLLJJGKSA-N 1 2 372.425 3.262 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000508943647 503605231 /nfs/dbraw/zinc/60/52/31/503605231.db2.gz UWEJFHXCAXKZQY-CYBMUJFWSA-N 1 2 362.455 3.360 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2C1 ZINC000504839812 503623339 /nfs/dbraw/zinc/62/33/39/503623339.db2.gz HLTZYSRNYXHJGW-UHFFFAOYSA-N 1 2 351.362 3.433 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2C1 ZINC000504839812 503623343 /nfs/dbraw/zinc/62/33/43/503623343.db2.gz HLTZYSRNYXHJGW-UHFFFAOYSA-N 1 2 351.362 3.433 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)cn1 ZINC000536637981 503653955 /nfs/dbraw/zinc/65/39/55/503653955.db2.gz CSNYVBLNJLCYPB-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000533057662 503716848 /nfs/dbraw/zinc/71/68/48/503716848.db2.gz QLQKSCOQSPCYCY-AWEZNQCLSA-N 1 2 373.457 3.154 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000540419912 503765570 /nfs/dbraw/zinc/76/55/70/503765570.db2.gz NYNDKCVXZCWTLU-UHFFFAOYSA-N 1 2 374.416 3.238 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533098 503779175 /nfs/dbraw/zinc/77/91/75/503779175.db2.gz LILRLKOCPDHCSS-XHDPSFHLSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533098 503779178 /nfs/dbraw/zinc/77/91/78/503779178.db2.gz LILRLKOCPDHCSS-XHDPSFHLSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000540477245 503783090 /nfs/dbraw/zinc/78/30/90/503783090.db2.gz RDFWDFRGLDZKOT-LBPRGKRZSA-N 1 2 363.439 3.396 20 5 FGBDLO CCOC(=O)c1ccnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000537092490 503800688 /nfs/dbraw/zinc/80/06/88/503800688.db2.gz YNZPQQQAADTPSA-UHFFFAOYSA-N 1 2 367.365 3.169 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280561 504072272 /nfs/dbraw/zinc/07/22/72/504072272.db2.gz RDDPCWHRVXHQKH-LBPRGKRZSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280561 504072277 /nfs/dbraw/zinc/07/22/77/504072277.db2.gz RDDPCWHRVXHQKH-LBPRGKRZSA-N 1 2 368.792 3.259 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000547371976 504080711 /nfs/dbraw/zinc/08/07/11/504080711.db2.gz APHDGGCTMFRYHG-UHFFFAOYSA-N 1 2 354.366 3.131 20 5 FGBDLO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000544514495 504159046 /nfs/dbraw/zinc/15/90/46/504159046.db2.gz ZGJTZXCPRUCFFS-CQSZACIVSA-N 1 2 368.393 3.298 20 5 FGBDLO Cc1cccn2cc(Cc3noc(Cc4cccc([N+](=O)[O-])c4C)n3)[nH+]c12 ZINC000544655655 504206446 /nfs/dbraw/zinc/20/64/46/504206446.db2.gz CTJNXFXXOZUSNG-UHFFFAOYSA-N 1 2 363.377 3.424 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000519666918 504295061 /nfs/dbraw/zinc/29/50/61/504295061.db2.gz JVEJXMZDLPQPTE-UHFFFAOYSA-N 1 2 366.377 3.491 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccn3)n2)c1 ZINC000531439632 504307522 /nfs/dbraw/zinc/30/75/22/504307522.db2.gz CDFUUPSRKPOVRY-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccn3)n2)c1 ZINC000531439632 504307524 /nfs/dbraw/zinc/30/75/24/504307524.db2.gz CDFUUPSRKPOVRY-MRXNPFEDSA-N 1 2 351.366 3.377 20 5 FGBDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000535377681 504418533 /nfs/dbraw/zinc/41/85/33/504418533.db2.gz WOCVNTKFNZMHBM-HNNXBMFYSA-N 1 2 350.415 3.170 20 5 FGBDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000535377681 504418536 /nfs/dbraw/zinc/41/85/36/504418536.db2.gz WOCVNTKFNZMHBM-HNNXBMFYSA-N 1 2 350.415 3.170 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000535515982 504457709 /nfs/dbraw/zinc/45/77/09/504457709.db2.gz HVMSNQMKFRLBTJ-AWEZNQCLSA-N 1 2 373.384 3.290 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000535515982 504457711 /nfs/dbraw/zinc/45/77/11/504457711.db2.gz HVMSNQMKFRLBTJ-AWEZNQCLSA-N 1 2 373.384 3.290 20 5 FGBDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[nH]1 ZINC000535688893 504508036 /nfs/dbraw/zinc/50/80/36/504508036.db2.gz APMXXVZSEGSCBX-NSHDSACASA-N 1 2 371.397 3.395 20 5 FGBDLO Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c(N2CCCC2)[nH+]1 ZINC000545665740 504556703 /nfs/dbraw/zinc/55/67/03/504556703.db2.gz QXWCYDOEZCMQPF-UHFFFAOYSA-N 1 2 352.354 3.010 20 5 FGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1[nH]ncc1Br ZINC000532224391 504579169 /nfs/dbraw/zinc/57/91/69/504579169.db2.gz QWFJLKNOCGIWIO-SNVBAGLBSA-N 1 2 353.220 3.191 20 5 FGBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000542847942 504633269 /nfs/dbraw/zinc/63/32/69/504633269.db2.gz XWYKKJBBOGXTPY-LLVKDONJSA-N 1 2 366.324 3.287 20 5 FGBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccs1 ZINC000532902032 504772216 /nfs/dbraw/zinc/77/22/16/504772216.db2.gz NOXIVQSDELZHLN-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccs1 ZINC000532902032 504772217 /nfs/dbraw/zinc/77/22/17/504772217.db2.gz NOXIVQSDELZHLN-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000565270475 504838850 /nfs/dbraw/zinc/83/88/50/504838850.db2.gz DFDCGQZXROCFRZ-VEMDQMBVSA-N 1 2 358.419 3.116 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553248465 504863340 /nfs/dbraw/zinc/86/33/40/504863340.db2.gz VKUFCDZXMGUFAL-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000553266609 504868931 /nfs/dbraw/zinc/86/89/31/504868931.db2.gz MEXGRQLFVFPFBB-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000556506554 504892282 /nfs/dbraw/zinc/89/22/82/504892282.db2.gz XGWHJELIVWUJCP-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000556506554 504892285 /nfs/dbraw/zinc/89/22/85/504892285.db2.gz XGWHJELIVWUJCP-UHFFFAOYSA-N 1 2 367.405 3.331 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000562788893 504946145 /nfs/dbraw/zinc/94/61/45/504946145.db2.gz ZRPMCHVQKSPTGZ-JTQLQIEISA-N 1 2 353.220 3.250 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000550113310 504969011 /nfs/dbraw/zinc/96/90/11/504969011.db2.gz SEUHSITWLUIBFY-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(Br)cn1 ZINC000566476106 505185082 /nfs/dbraw/zinc/18/50/82/505185082.db2.gz UFPSRZIYGFSRHY-NOZJJQNGSA-N 1 2 363.215 3.485 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000563861887 505260249 /nfs/dbraw/zinc/26/02/49/505260249.db2.gz XMNFKYQNFJZMBO-LJQANCHMSA-N 1 2 357.385 3.128 20 5 FGBDLO CN(C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000563861887 505260252 /nfs/dbraw/zinc/26/02/52/505260252.db2.gz XMNFKYQNFJZMBO-LJQANCHMSA-N 1 2 357.385 3.128 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000564051022 505311906 /nfs/dbraw/zinc/31/19/06/505311906.db2.gz RROSLSBXGQHFNX-OAHLLOKOSA-N 1 2 368.441 3.447 20 5 FGBDLO Cc1ccc(F)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000552142178 505414239 /nfs/dbraw/zinc/41/42/39/505414239.db2.gz MLPPVNFMJSCHQS-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000555404585 505425338 /nfs/dbraw/zinc/42/53/38/505425338.db2.gz HXUCKEUHJQENBW-UHFFFAOYSA-N 1 2 370.434 3.232 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552311999 505456937 /nfs/dbraw/zinc/45/69/37/505456937.db2.gz LMKMUWJKGHYEBY-VIFPVBQESA-N 1 2 367.203 3.007 20 5 FGBDLO CC(C)n1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC000564775426 505516375 /nfs/dbraw/zinc/51/63/75/505516375.db2.gz JRBZJJVYYNZULZ-ZDUSSCGKSA-N 1 2 368.397 3.049 20 5 FGBDLO Cc1c(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000564794390 505522036 /nfs/dbraw/zinc/52/20/36/505522036.db2.gz OYMBYMBAOPNLPI-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO Cc1c(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000564794390 505522041 /nfs/dbraw/zinc/52/20/41/505522041.db2.gz OYMBYMBAOPNLPI-UHFFFAOYSA-N 1 2 353.220 3.031 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000567851588 505568251 /nfs/dbraw/zinc/56/82/51/505568251.db2.gz QPNQZRDWMGOKLS-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccnc3C(F)(F)F)C2)nc1 ZINC000599325279 506413151 /nfs/dbraw/zinc/41/31/51/506413151.db2.gz CFXPDBLHCNPMBQ-GFCCVEGCSA-N 1 2 367.331 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)nc1 ZINC000599325279 506413158 /nfs/dbraw/zinc/41/31/58/506413158.db2.gz CFXPDBLHCNPMBQ-GFCCVEGCSA-N 1 2 367.331 3.090 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599339739 506419619 /nfs/dbraw/zinc/41/96/19/506419619.db2.gz SBYBEEQBWLVZSU-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599339739 506419627 /nfs/dbraw/zinc/41/96/27/506419627.db2.gz SBYBEEQBWLVZSU-UHFFFAOYSA-N 1 2 373.375 3.360 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCc2ccc(O)cc21 ZINC000596488070 506429820 /nfs/dbraw/zinc/42/98/20/506429820.db2.gz HYWVNRDLDWZKEF-SFHVURJKSA-N 1 2 369.421 3.232 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCc2ccc(O)cc21 ZINC000596488069 506430547 /nfs/dbraw/zinc/43/05/47/506430547.db2.gz HYWVNRDLDWZKEF-GOSISDBHSA-N 1 2 369.421 3.232 20 5 FGBDLO O=C(NC1(C(F)F)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000589118276 506448892 /nfs/dbraw/zinc/44/88/92/506448892.db2.gz VQSQOGBIUDGPDI-UHFFFAOYSA-N 1 2 350.325 3.088 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551702 506495527 /nfs/dbraw/zinc/49/55/27/506495527.db2.gz AFHMZGWKJUKAAT-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551702 506495534 /nfs/dbraw/zinc/49/55/34/506495534.db2.gz AFHMZGWKJUKAAT-NSHDSACASA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551700 506496161 /nfs/dbraw/zinc/49/61/61/506496161.db2.gz AFHMZGWKJUKAAT-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551700 506496171 /nfs/dbraw/zinc/49/61/71/506496171.db2.gz AFHMZGWKJUKAAT-LLVKDONJSA-N 1 2 357.357 3.052 20 5 FGBDLO CC(C)N(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603519165 506541307 /nfs/dbraw/zinc/54/13/07/506541307.db2.gz AHUITULAPBIWPO-UHFFFAOYSA-N 1 2 354.366 3.424 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCC[C@H]21 ZINC000599657228 506558335 /nfs/dbraw/zinc/55/83/35/506558335.db2.gz XMUXHYCBQSSFGV-OZVIIMIRSA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCC[C@H]21 ZINC000599657228 506558340 /nfs/dbraw/zinc/55/83/40/506558340.db2.gz XMUXHYCBQSSFGV-OZVIIMIRSA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCC[C@@H]21 ZINC000599657226 506558552 /nfs/dbraw/zinc/55/85/52/506558552.db2.gz XMUXHYCBQSSFGV-HSMVNMDESA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCC[C@@H]21 ZINC000599657226 506558557 /nfs/dbraw/zinc/55/85/57/506558557.db2.gz XMUXHYCBQSSFGV-HSMVNMDESA-N 1 2 354.353 3.037 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000589496908 506568538 /nfs/dbraw/zinc/56/85/38/506568538.db2.gz XKXBOWKQCXNJNH-KRWDZBQOSA-N 1 2 374.393 3.156 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000589496908 506568546 /nfs/dbraw/zinc/56/85/46/506568546.db2.gz XKXBOWKQCXNJNH-KRWDZBQOSA-N 1 2 374.393 3.156 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000589510434 506573724 /nfs/dbraw/zinc/57/37/24/506573724.db2.gz DYLFJBSGQQKZSG-CYBMUJFWSA-N 1 2 356.378 3.165 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000589510434 506573726 /nfs/dbraw/zinc/57/37/26/506573726.db2.gz DYLFJBSGQQKZSG-CYBMUJFWSA-N 1 2 356.378 3.165 20 5 FGBDLO Cc1cccn2cc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000590229909 506769994 /nfs/dbraw/zinc/76/99/94/506769994.db2.gz TZKWIVXRHHWMKH-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131182 506785627 /nfs/dbraw/zinc/78/56/27/506785627.db2.gz JVJISPKGTGNDCI-UKRRQHHQSA-N 1 2 360.439 3.136 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233295 506821320 /nfs/dbraw/zinc/82/13/20/506821320.db2.gz CUPPXORMHAEVJC-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233295 506821324 /nfs/dbraw/zinc/82/13/24/506821324.db2.gz CUPPXORMHAEVJC-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234565 506821723 /nfs/dbraw/zinc/82/17/23/506821723.db2.gz VPTKSELKNJVFKQ-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234565 506821729 /nfs/dbraw/zinc/82/17/29/506821729.db2.gz VPTKSELKNJVFKQ-LJQANCHMSA-N 1 2 369.421 3.305 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991149 506852872 /nfs/dbraw/zinc/85/28/72/506852872.db2.gz CACPGFXGMCSKQV-KJMJWJSPSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000612991149 506852876 /nfs/dbraw/zinc/85/28/76/506852876.db2.gz CACPGFXGMCSKQV-KJMJWJSPSA-N 1 2 356.382 3.074 20 5 FGBDLO CC(C)(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019772 506867453 /nfs/dbraw/zinc/86/74/53/506867453.db2.gz VLXGIIXWDJKNDF-AWEZNQCLSA-N 1 2 360.389 3.072 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000604560331 506875120 /nfs/dbraw/zinc/87/51/20/506875120.db2.gz SGLHDBMARUQBQU-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590599923 506875660 /nfs/dbraw/zinc/87/56/60/506875660.db2.gz HEZWCPCDMPVBIF-CYBMUJFWSA-N 1 2 374.828 3.461 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590599923 506875667 /nfs/dbraw/zinc/87/56/67/506875667.db2.gz HEZWCPCDMPVBIF-CYBMUJFWSA-N 1 2 374.828 3.461 20 5 FGBDLO COc1cc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000594055820 506910608 /nfs/dbraw/zinc/91/06/08/506910608.db2.gz RDDODZRBEDMRDN-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO COc1cc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000594055820 506910610 /nfs/dbraw/zinc/91/06/10/506910610.db2.gz RDDODZRBEDMRDN-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609669220 506968467 /nfs/dbraw/zinc/96/84/67/506968467.db2.gz LQQZJUJDMOSBKZ-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000609850299 507023672 /nfs/dbraw/zinc/02/36/72/507023672.db2.gz MKBSHFAVJXCKNF-UHFFFAOYSA-N 1 2 374.303 3.221 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000591066427 507099001 /nfs/dbraw/zinc/09/90/01/507099001.db2.gz VZPVMQDXWKLBSC-ZWKOTPCHSA-N 1 2 364.405 3.013 20 5 FGBDLO CC1(C)C[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000594514689 507165090 /nfs/dbraw/zinc/16/50/90/507165090.db2.gz ZIOFSBFWKMOAOR-CABCVRRESA-N 1 2 357.414 3.077 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610304658 507185850 /nfs/dbraw/zinc/18/58/50/507185850.db2.gz SJSFJDZFOCBLIZ-CQSZACIVSA-N 1 2 356.407 3.104 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597940289 507188538 /nfs/dbraw/zinc/18/85/38/507188538.db2.gz HPAXUPSSQGXPES-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO Cc1c[nH+]c(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c(C)c1 ZINC000594594958 507200648 /nfs/dbraw/zinc/20/06/48/507200648.db2.gz DDKMHWKIZOZODR-UHFFFAOYSA-N 1 2 354.410 3.153 20 5 FGBDLO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610347969 507205379 /nfs/dbraw/zinc/20/53/79/507205379.db2.gz DDVWGXXHSRAXJH-KRWDZBQOSA-N 1 2 369.421 3.257 20 5 FGBDLO COCC1(C2CC2)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000601226598 507303992 /nfs/dbraw/zinc/30/39/92/507303992.db2.gz OOVJPPBSYAJHJL-UHFFFAOYSA-N 1 2 354.410 3.223 20 5 FGBDLO COc1cccc(NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601240669 507306931 /nfs/dbraw/zinc/30/69/31/507306931.db2.gz MHIJAQLEWRAGJG-UHFFFAOYSA-N 1 2 360.439 3.164 20 5 FGBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000598438220 507427789 /nfs/dbraw/zinc/42/77/89/507427789.db2.gz SBBVMTULMQTVLX-GOSISDBHSA-N 1 2 372.425 3.106 20 5 FGBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261243 507432370 /nfs/dbraw/zinc/43/23/70/507432370.db2.gz BPOTYDJIGXGKEQ-INIZCTEOSA-N 1 2 354.414 3.159 20 5 FGBDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000614261243 507432374 /nfs/dbraw/zinc/43/23/74/507432374.db2.gz BPOTYDJIGXGKEQ-INIZCTEOSA-N 1 2 354.414 3.159 20 5 FGBDLO COCCSc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595415215 507486318 /nfs/dbraw/zinc/48/63/18/507486318.db2.gz NXKLLVPWBNOLBM-NSHDSACASA-N 1 2 351.428 3.481 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611203395 507559479 /nfs/dbraw/zinc/55/94/79/507559479.db2.gz WWFHWIUGYZONAI-CQSZACIVSA-N 1 2 360.439 3.381 20 5 FGBDLO Cc1noc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595610108 507587576 /nfs/dbraw/zinc/58/75/76/507587576.db2.gz BUFYIPQAYCHLSU-HNNXBMFYSA-N 1 2 373.409 3.332 20 5 FGBDLO Cc1noc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595610108 507587584 /nfs/dbraw/zinc/58/75/84/507587584.db2.gz BUFYIPQAYCHLSU-HNNXBMFYSA-N 1 2 373.409 3.332 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)OCCO2 ZINC000611264837 507588957 /nfs/dbraw/zinc/58/89/57/507588957.db2.gz YHLGISSTLMHWET-INIZCTEOSA-N 1 2 374.393 3.140 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)OCCO2 ZINC000611264837 507588966 /nfs/dbraw/zinc/58/89/66/507588966.db2.gz YHLGISSTLMHWET-INIZCTEOSA-N 1 2 374.393 3.140 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602115184 507597160 /nfs/dbraw/zinc/59/71/60/507597160.db2.gz GQQRSXOHFGHNIQ-FZMZJTMJSA-N 1 2 370.331 3.471 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627415 507600554 /nfs/dbraw/zinc/60/05/54/507600554.db2.gz YMXJRUGQRVRORW-KPZWWZAWSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627415 507600560 /nfs/dbraw/zinc/60/05/60/507600560.db2.gz YMXJRUGQRVRORW-KPZWWZAWSA-N 1 2 358.398 3.207 20 5 FGBDLO Cc1cccn2cc(CC(=O)N3CCCCc4ccc([N+](=O)[O-])cc43)[nH+]c12 ZINC000598884864 507662897 /nfs/dbraw/zinc/66/28/97/507662897.db2.gz ZMJNFFAYNHUJBU-UHFFFAOYSA-N 1 2 364.405 3.463 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833118 507707203 /nfs/dbraw/zinc/70/72/03/507707203.db2.gz RQWXNXVQUJTZTN-GOEBONIOSA-N 1 2 355.394 3.075 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833118 507707208 /nfs/dbraw/zinc/70/72/08/507707208.db2.gz RQWXNXVQUJTZTN-GOEBONIOSA-N 1 2 355.394 3.075 20 5 FGBDLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000588071531 507752666 /nfs/dbraw/zinc/75/26/66/507752666.db2.gz RECPRLMLNRIULB-LBPRGKRZSA-N 1 2 369.356 3.116 20 5 FGBDLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512450 700586070 /nfs/dbraw/zinc/58/60/70/700586070.db2.gz KIWUVFDAVRHFIW-YPMHNXCESA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512450 700586072 /nfs/dbraw/zinc/58/60/72/700586072.db2.gz KIWUVFDAVRHFIW-YPMHNXCESA-N 1 2 365.231 3.389 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(Cl)c1 ZINC000182087060 705825100 /nfs/dbraw/zinc/82/51/00/705825100.db2.gz BGLWXIVOHYFLRH-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(Cl)c1 ZINC000182087060 705825102 /nfs/dbraw/zinc/82/51/02/705825102.db2.gz BGLWXIVOHYFLRH-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779218192 724400177 /nfs/dbraw/zinc/40/01/77/724400177.db2.gz VYQWTIUFARTQDW-HNNXBMFYSA-N 1 2 357.248 3.342 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000779218192 724400180 /nfs/dbraw/zinc/40/01/80/724400180.db2.gz VYQWTIUFARTQDW-HNNXBMFYSA-N 1 2 357.248 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000783570477 724766288 /nfs/dbraw/zinc/76/62/88/724766288.db2.gz JHJGFRNHKKBYKC-CYBMUJFWSA-N 1 2 352.740 3.383 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900180 723379225 /nfs/dbraw/zinc/37/92/25/723379225.db2.gz DZIUKLCCLCIQTP-YVLXSGLVSA-N 1 2 372.252 3.438 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900180 723379228 /nfs/dbraw/zinc/37/92/28/723379228.db2.gz DZIUKLCCLCIQTP-YVLXSGLVSA-N 1 2 372.252 3.438 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2c(cccc2Cl)C1=O ZINC000795450187 723592460 /nfs/dbraw/zinc/59/24/60/723592460.db2.gz CUXRQSQYIGNLHA-UHFFFAOYSA-N 1 2 359.813 3.336 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2c(cccc2Cl)C1=O ZINC000795450187 723592462 /nfs/dbraw/zinc/59/24/62/723592462.db2.gz CUXRQSQYIGNLHA-UHFFFAOYSA-N 1 2 359.813 3.336 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000796294303 723630887 /nfs/dbraw/zinc/63/08/87/723630887.db2.gz JEKICBYTGGMEDK-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000796294303 723630888 /nfs/dbraw/zinc/63/08/88/723630888.db2.gz JEKICBYTGGMEDK-CYBMUJFWSA-N 1 2 366.723 3.176 20 5 FGBDLO NC(=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000814263662 726950885 /nfs/dbraw/zinc/95/08/85/726950885.db2.gz PLJVACDVGJZTJV-UHFFFAOYSA-N 1 2 350.172 3.404 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Cl ZINC000816899815 727203839 /nfs/dbraw/zinc/20/38/39/727203839.db2.gz BGIOHISQPVXSPY-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000820644914 729013636 /nfs/dbraw/zinc/01/36/36/729013636.db2.gz LPKBBZRRVYFYFG-UHFFFAOYSA-N 1 2 365.792 3.415 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000824690601 729355154 /nfs/dbraw/zinc/35/51/54/729355154.db2.gz IEQMABVCTBPEIK-MRXNPFEDSA-N 1 2 365.773 3.322 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000824690601 729355157 /nfs/dbraw/zinc/35/51/57/729355157.db2.gz IEQMABVCTBPEIK-MRXNPFEDSA-N 1 2 365.773 3.322 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000830361350 729552603 /nfs/dbraw/zinc/55/26/03/729552603.db2.gz JOXNTYLHEVMOMR-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000830361350 729552604 /nfs/dbraw/zinc/55/26/04/729552604.db2.gz JOXNTYLHEVMOMR-KRWDZBQOSA-N 1 2 350.777 3.479 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1 ZINC000842894812 730554760 /nfs/dbraw/zinc/55/47/60/730554760.db2.gz SQATZDNWVJRVKO-UHFFFAOYSA-N 1 2 359.407 3.005 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844441414 730718742 /nfs/dbraw/zinc/71/87/42/730718742.db2.gz YSNLOKRMHSSYJX-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844441414 730718745 /nfs/dbraw/zinc/71/87/45/730718745.db2.gz YSNLOKRMHSSYJX-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[NH+]1CCC2(CCCC2=O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852631483 731611929 /nfs/dbraw/zinc/61/19/29/731611929.db2.gz UGAIWWGLUFLIFC-UHFFFAOYSA-N 1 2 365.817 3.022 20 5 FGBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000856733652 732049132 /nfs/dbraw/zinc/04/91/32/732049132.db2.gz FJCINRHCTSSGSM-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2nccs2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880317082 737153483 /nfs/dbraw/zinc/15/34/83/737153483.db2.gz KLVNCBPLKWUJQA-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2nccs2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880317082 737153486 /nfs/dbraw/zinc/15/34/86/737153486.db2.gz KLVNCBPLKWUJQA-SNVBAGLBSA-N 1 2 366.830 3.133 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000901039699 743216908 /nfs/dbraw/zinc/21/69/08/743216908.db2.gz HJLVADGSECDIEH-QMTHXVAHSA-N 1 2 366.780 3.307 20 5 FGBDLO C[C@H](c1nnc(SCC[N+](=O)[O-])n1-c1ccccc1)[NH+]1CCCCC1 ZINC000901413082 743272866 /nfs/dbraw/zinc/27/28/66/743272866.db2.gz OBUMYAUSDWCVOC-CQSZACIVSA-N 1 2 361.471 3.183 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000931770043 760958845 /nfs/dbraw/zinc/95/88/45/760958845.db2.gz AIJQLXHVUZSVTK-GFCCVEGCSA-N 1 2 362.817 3.310 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933973455 761510836 /nfs/dbraw/zinc/51/08/36/761510836.db2.gz KGOKPNJUEBSESK-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933973455 761510845 /nfs/dbraw/zinc/51/08/45/761510845.db2.gz KGOKPNJUEBSESK-MRXNPFEDSA-N 1 2 362.455 3.017 20 5 FGBDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000014527074 220126248 /nfs/dbraw/zinc/12/62/48/220126248.db2.gz WSSUTCCKMFEPOI-UHFFFAOYSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)S1 ZINC000097600406 132305684 /nfs/dbraw/zinc/30/56/84/132305684.db2.gz XNVLJOSHTRPSJH-SNVBAGLBSA-N 1 2 374.388 3.227 20 5 FGBDLO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c(C)c1 ZINC000570911523 505609576 /nfs/dbraw/zinc/60/95/76/505609576.db2.gz YGRDXESOZSGBNH-UHFFFAOYSA-N 1 2 371.437 3.356 20 5 FGBDLO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)[nH+]1 ZINC000068767184 493869295 /nfs/dbraw/zinc/86/92/95/493869295.db2.gz JSKYDXAYDLXBSE-UHFFFAOYSA-N 1 2 351.366 3.246 20 5 FGBDLO CN1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc21 ZINC000069087853 493919918 /nfs/dbraw/zinc/91/99/18/493919918.db2.gz HYABQHPFLCUIQM-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO CN1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc21 ZINC000069087853 493919920 /nfs/dbraw/zinc/91/99/20/493919920.db2.gz HYABQHPFLCUIQM-UHFFFAOYSA-N 1 2 365.393 3.097 20 5 FGBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000051208734 493954195 /nfs/dbraw/zinc/95/41/95/493954195.db2.gz OOBMWGMFTGLVKC-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000052219330 494012613 /nfs/dbraw/zinc/01/26/13/494012613.db2.gz KEVFZOMVOUQJSX-CHWSQXEVSA-N 1 2 360.389 3.355 20 5 FGBDLO C[C@H]1CN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218856 494013160 /nfs/dbraw/zinc/01/31/60/494013160.db2.gz RVWZSFVUSRLDPO-STQMWFEESA-N 1 2 360.389 3.355 20 5 FGBDLO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010285207 494148595 /nfs/dbraw/zinc/14/85/95/494148595.db2.gz BYMASPGRPUKPSK-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000087355225 494196254 /nfs/dbraw/zinc/19/62/54/494196254.db2.gz SKOOVBXENVHGKO-UHFFFAOYSA-N 1 2 350.172 3.242 20 5 FGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277844 494215559 /nfs/dbraw/zinc/21/55/59/494215559.db2.gz HRGQJIMEBJQUMN-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277844 494215562 /nfs/dbraw/zinc/21/55/62/494215562.db2.gz HRGQJIMEBJQUMN-CYBMUJFWSA-N 1 2 374.466 3.464 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000042743692 494240877 /nfs/dbraw/zinc/24/08/77/494240877.db2.gz RWTDBNCFKFDDMN-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000042743692 494240881 /nfs/dbraw/zinc/24/08/81/494240881.db2.gz RWTDBNCFKFDDMN-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605555 494251788 /nfs/dbraw/zinc/25/17/88/494251788.db2.gz CCLSCJSZIJKIRU-UONOGXRCSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605555 494251793 /nfs/dbraw/zinc/25/17/93/494251793.db2.gz CCLSCJSZIJKIRU-UONOGXRCSA-N 1 2 371.412 3.358 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607028 494253227 /nfs/dbraw/zinc/25/32/27/494253227.db2.gz QCHQIHARPZSYJN-AWEZNQCLSA-N 1 2 371.412 3.312 20 5 FGBDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607028 494253231 /nfs/dbraw/zinc/25/32/31/494253231.db2.gz QCHQIHARPZSYJN-AWEZNQCLSA-N 1 2 371.412 3.312 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000088727642 494256919 /nfs/dbraw/zinc/25/69/19/494256919.db2.gz OKTPYIJDBIRBBB-LLVKDONJSA-N 1 2 352.192 3.207 20 5 FGBDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000054668148 494257826 /nfs/dbraw/zinc/25/78/26/494257826.db2.gz OUQHDDIXYBMQLP-QGZVFWFLSA-N 1 2 355.394 3.379 20 5 FGBDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000054668148 494257834 /nfs/dbraw/zinc/25/78/34/494257834.db2.gz OUQHDDIXYBMQLP-QGZVFWFLSA-N 1 2 355.394 3.379 20 5 FGBDLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000043147946 494270209 /nfs/dbraw/zinc/27/02/09/494270209.db2.gz HUTLQNSTMACOBG-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000043470810 494298106 /nfs/dbraw/zinc/29/81/06/494298106.db2.gz YXKPEWZOBGNRGT-UHFFFAOYSA-N 1 2 367.409 3.142 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000016235732 494381390 /nfs/dbraw/zinc/38/13/90/494381390.db2.gz ZLRUIBKVXPJBJI-UHFFFAOYSA-N 1 2 370.434 3.405 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888496 494393896 /nfs/dbraw/zinc/39/38/96/494393896.db2.gz OETVGLBMFPZNBO-KRWDZBQOSA-N 1 2 372.425 3.083 20 5 FGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888496 494393899 /nfs/dbraw/zinc/39/38/99/494393899.db2.gz OETVGLBMFPZNBO-KRWDZBQOSA-N 1 2 372.425 3.083 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066847434 494422568 /nfs/dbraw/zinc/42/25/68/494422568.db2.gz CJJFRHVPCUAOGW-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066847434 494422571 /nfs/dbraw/zinc/42/25/71/494422571.db2.gz CJJFRHVPCUAOGW-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1Cl ZINC000090511353 494475365 /nfs/dbraw/zinc/47/53/65/494475365.db2.gz ZIUABHJPXYUWKZ-UHFFFAOYSA-N 1 2 356.209 3.195 20 5 FGBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1Cl ZINC000090511353 494475367 /nfs/dbraw/zinc/47/53/67/494475367.db2.gz ZIUABHJPXYUWKZ-UHFFFAOYSA-N 1 2 356.209 3.195 20 5 FGBDLO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067093216 494475873 /nfs/dbraw/zinc/47/58/73/494475873.db2.gz AZUWKUHZZCBHKO-HZPDHXFCSA-N 1 2 366.352 3.206 20 5 FGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)cc1 ZINC000022230573 494517420 /nfs/dbraw/zinc/51/74/20/494517420.db2.gz XWTSKAXTBBOHBO-UHFFFAOYSA-N 1 2 370.453 3.015 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080151026 494614993 /nfs/dbraw/zinc/61/49/93/494614993.db2.gz WGUJXIFLTHQTQY-UHFFFAOYSA-N 1 2 359.430 3.182 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131516258 494645297 /nfs/dbraw/zinc/64/52/97/494645297.db2.gz QXZMCFPJMLJMHX-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131516258 494645300 /nfs/dbraw/zinc/64/53/00/494645300.db2.gz QXZMCFPJMLJMHX-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO Cc1c(C[NH+]2CCN(CCOc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000108099480 494647362 /nfs/dbraw/zinc/64/73/62/494647362.db2.gz LZGYAVVBDSLMJV-UHFFFAOYSA-N 1 2 355.438 3.100 20 5 FGBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CS(C)(=O)=O ZINC000126228997 494678982 /nfs/dbraw/zinc/67/89/82/494678982.db2.gz ZMJUPSILVJLBMC-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CS(C)(=O)=O ZINC000126228997 494678990 /nfs/dbraw/zinc/67/89/90/494678990.db2.gz ZMJUPSILVJLBMC-CYBMUJFWSA-N 1 2 366.439 3.110 20 5 FGBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041238 494766794 /nfs/dbraw/zinc/76/67/94/494766794.db2.gz QQKJOQTYMNMMOG-SMDDNHRTSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092041238 494766797 /nfs/dbraw/zinc/76/67/97/494766797.db2.gz QQKJOQTYMNMMOG-SMDDNHRTSA-N 1 2 366.801 3.090 20 5 FGBDLO Cc1cccn2cc(CNc3ncc(Br)cc3[N+](=O)[O-])[nH+]c12 ZINC000092826043 494768022 /nfs/dbraw/zinc/76/80/22/494768022.db2.gz NGTHYJLHDRWZKN-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000027128239 494853922 /nfs/dbraw/zinc/85/39/22/494853922.db2.gz XWDCHMHFZMCCKN-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000027128239 494853927 /nfs/dbraw/zinc/85/39/27/494853927.db2.gz XWDCHMHFZMCCKN-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO COc1cccc(NC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000093342215 494874191 /nfs/dbraw/zinc/87/41/91/494874191.db2.gz DNROOEGFNBXCPA-UHFFFAOYSA-N 1 2 357.410 3.386 20 5 FGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000093365341 494879141 /nfs/dbraw/zinc/87/91/41/494879141.db2.gz FKECSZWTKXBQFH-VMPITWQZSA-N 1 2 351.366 3.185 20 5 FGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000093365341 494879145 /nfs/dbraw/zinc/87/91/45/494879145.db2.gz FKECSZWTKXBQFH-VMPITWQZSA-N 1 2 351.366 3.185 20 5 FGBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093384617 494882814 /nfs/dbraw/zinc/88/28/14/494882814.db2.gz HDMJDVPJSKMGQH-GFCCVEGCSA-N 1 2 368.480 3.188 20 5 FGBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093384617 494882821 /nfs/dbraw/zinc/88/28/21/494882821.db2.gz HDMJDVPJSKMGQH-GFCCVEGCSA-N 1 2 368.480 3.188 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)s1 ZINC000109581780 494893426 /nfs/dbraw/zinc/89/34/26/494893426.db2.gz VHTIXIRSSVIGBN-UHFFFAOYSA-N 1 2 372.406 3.206 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c1 ZINC000132939690 494945927 /nfs/dbraw/zinc/94/59/27/494945927.db2.gz LYYJEWBNMYSHTD-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122928021 495054184 /nfs/dbraw/zinc/05/41/84/495054184.db2.gz WYBHWTXQQIGBNN-JJRVBVJISA-N 1 2 374.466 3.382 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103200958 495204088 /nfs/dbraw/zinc/20/40/88/495204088.db2.gz DCNYQPUNTVLZKU-HNNXBMFYSA-N 1 2 361.442 3.029 20 5 FGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000103455865 495235038 /nfs/dbraw/zinc/23/50/38/495235038.db2.gz WLBXODGLRIOAPB-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO O=C(NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000103471080 495237820 /nfs/dbraw/zinc/23/78/20/495237820.db2.gz PLTDXMQKZMLJCL-UHFFFAOYSA-N 1 2 363.433 3.395 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119857025 495256348 /nfs/dbraw/zinc/25/63/48/495256348.db2.gz DYRCIARWNXXUAA-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO C[C@H](CNc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000119862691 495257268 /nfs/dbraw/zinc/25/72/68/495257268.db2.gz LJWRTZFMQNYEID-CQSZACIVSA-N 1 2 365.393 3.011 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135229341 495266008 /nfs/dbraw/zinc/26/60/08/495266008.db2.gz GUOBQUACJSDXGX-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135229341 495266011 /nfs/dbraw/zinc/26/60/11/495266011.db2.gz GUOBQUACJSDXGX-UHFFFAOYSA-N 1 2 353.422 3.184 20 5 FGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000135628270 495320754 /nfs/dbraw/zinc/32/07/54/495320754.db2.gz PLFMGEISDQZNEW-UHFFFAOYSA-N 1 2 362.455 3.349 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccnc3)C3CC3)n2)cc1 ZINC000124696979 495329377 /nfs/dbraw/zinc/32/93/77/495329377.db2.gz LPCPWNUMOSBXDB-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccnc3)C3CC3)n2)cc1 ZINC000124696979 495329380 /nfs/dbraw/zinc/32/93/80/495329380.db2.gz LPCPWNUMOSBXDB-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000124764060 495340087 /nfs/dbraw/zinc/34/00/87/495340087.db2.gz HEKBIBSVOIGYLI-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136153376 495360079 /nfs/dbraw/zinc/36/00/79/495360079.db2.gz NWLGWHRUNLWGQV-UHFFFAOYSA-N 1 2 358.785 3.336 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125200738 495404797 /nfs/dbraw/zinc/40/47/97/495404797.db2.gz FBEQWLCEASAQLO-KRWDZBQOSA-N 1 2 369.421 3.037 20 5 FGBDLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120691341 495435898 /nfs/dbraw/zinc/43/58/98/495435898.db2.gz NYAGKEBROSYLMG-UHFFFAOYSA-N 1 2 357.410 3.453 20 5 FGBDLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120691341 495435902 /nfs/dbraw/zinc/43/59/02/495435902.db2.gz NYAGKEBROSYLMG-UHFFFAOYSA-N 1 2 357.410 3.453 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125609381 495469990 /nfs/dbraw/zinc/46/99/90/495469990.db2.gz CHVMDOXXALOJTJ-INIZCTEOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125609381 495469993 /nfs/dbraw/zinc/46/99/93/495469993.db2.gz CHVMDOXXALOJTJ-INIZCTEOSA-N 1 2 360.801 3.419 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000140197323 495490625 /nfs/dbraw/zinc/49/06/25/495490625.db2.gz LTVULMHDPDROJQ-QGZVFWFLSA-N 1 2 370.409 3.082 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000140197323 495490627 /nfs/dbraw/zinc/49/06/27/495490627.db2.gz LTVULMHDPDROJQ-QGZVFWFLSA-N 1 2 370.409 3.082 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000107178269 495523160 /nfs/dbraw/zinc/52/31/60/495523160.db2.gz PTFOVGUKXVVVAA-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000185394296 495561582 /nfs/dbraw/zinc/56/15/82/495561582.db2.gz SQSUTSKKQXBZMN-AWEZNQCLSA-N 1 2 368.393 3.298 20 5 FGBDLO Nc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000176291270 495582853 /nfs/dbraw/zinc/58/28/53/495582853.db2.gz FWBJFUIGQUKKJS-UHFFFAOYSA-N 1 2 357.757 3.268 20 5 FGBDLO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150695970 495610787 /nfs/dbraw/zinc/61/07/87/495610787.db2.gz KCYGZXKAKKGDOJ-UHFFFAOYSA-N 1 2 366.381 3.056 20 5 FGBDLO Cc1c(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000182885570 495741633 /nfs/dbraw/zinc/74/16/33/495741633.db2.gz AGDOBHKMPRQFAH-UHFFFAOYSA-N 1 2 357.414 3.350 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000151216545 495774447 /nfs/dbraw/zinc/77/44/47/495774447.db2.gz GBZLINJWBJJTAD-UHFFFAOYSA-N 1 2 361.398 3.434 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000151216545 495774452 /nfs/dbraw/zinc/77/44/52/495774452.db2.gz GBZLINJWBJJTAD-UHFFFAOYSA-N 1 2 361.398 3.434 20 5 FGBDLO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015128 495788219 /nfs/dbraw/zinc/78/82/19/495788219.db2.gz DXLHBTMQLMTNFH-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174015128 495788224 /nfs/dbraw/zinc/78/82/24/495788224.db2.gz DXLHBTMQLMTNFH-QWRGUYRKSA-N 1 2 370.247 3.416 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179987023 495810945 /nfs/dbraw/zinc/81/09/45/495810945.db2.gz KOFZRENMXNQJHI-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179987023 495810950 /nfs/dbraw/zinc/81/09/50/495810950.db2.gz KOFZRENMXNQJHI-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000174248905 495881688 /nfs/dbraw/zinc/88/16/88/495881688.db2.gz CHAVBJJQEKCRJT-UHFFFAOYSA-N 1 2 370.365 3.281 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171919561 496092594 /nfs/dbraw/zinc/09/25/94/496092594.db2.gz XUBFGBQFCYRGNK-GOSISDBHSA-N 1 2 372.421 3.210 20 5 FGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171919561 496092600 /nfs/dbraw/zinc/09/26/00/496092600.db2.gz XUBFGBQFCYRGNK-GOSISDBHSA-N 1 2 372.421 3.210 20 5 FGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000183765108 496109134 /nfs/dbraw/zinc/10/91/34/496109134.db2.gz MILQEISVPVLDNK-UHFFFAOYSA-N 1 2 356.769 3.364 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174866307 496140065 /nfs/dbraw/zinc/14/00/65/496140065.db2.gz MXXSEZILNWHFTF-HNNXBMFYSA-N 1 2 352.847 3.235 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174866307 496140068 /nfs/dbraw/zinc/14/00/68/496140068.db2.gz MXXSEZILNWHFTF-HNNXBMFYSA-N 1 2 352.847 3.235 20 5 FGBDLO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187331594 496396920 /nfs/dbraw/zinc/39/69/20/496396920.db2.gz SAAIRSMZBIBAAR-MAUKXSAKSA-N 1 2 372.425 3.104 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000187582190 496498205 /nfs/dbraw/zinc/49/82/05/496498205.db2.gz WZTINTIRQBGSCH-UHFFFAOYSA-N 1 2 354.410 3.478 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175768810 496536799 /nfs/dbraw/zinc/53/67/99/496536799.db2.gz ZNYZYHDYJMIETP-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175768810 496536803 /nfs/dbraw/zinc/53/68/03/496536803.db2.gz ZNYZYHDYJMIETP-UHFFFAOYSA-N 1 2 365.842 3.098 20 5 FGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000184806651 496539917 /nfs/dbraw/zinc/53/99/17/496539917.db2.gz KAZFMGOIMQXGFX-WBMJQRKESA-N 1 2 361.398 3.055 20 5 FGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000184842422 496554353 /nfs/dbraw/zinc/55/43/53/496554353.db2.gz VBFFUNTZTKXCFZ-BLLLJJGKSA-N 1 2 361.398 3.055 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185013844 496622565 /nfs/dbraw/zinc/62/25/65/496622565.db2.gz BAXWZJRMTFNAOM-QWRGUYRKSA-N 1 2 364.427 3.046 20 5 FGBDLO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000188018130 496652831 /nfs/dbraw/zinc/65/28/31/496652831.db2.gz ILWATWNAYHEMMA-UHFFFAOYSA-N 1 2 364.452 3.013 20 5 FGBDLO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000188018130 496652836 /nfs/dbraw/zinc/65/28/36/496652836.db2.gz ILWATWNAYHEMMA-UHFFFAOYSA-N 1 2 364.452 3.013 20 5 FGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCO2 ZINC000182266396 496723411 /nfs/dbraw/zinc/72/34/11/496723411.db2.gz GVOSMTBDWAGJLA-LLVKDONJSA-N 1 2 368.349 3.224 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000268775718 496781592 /nfs/dbraw/zinc/78/15/92/496781592.db2.gz AGSUGQSEBPKOTN-UHFFFAOYSA-N 1 2 364.789 3.073 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@](=O)C1 ZINC000277507323 496797303 /nfs/dbraw/zinc/79/73/03/496797303.db2.gz PUFMKGWJJLDYBN-HWRSSNJWSA-N 1 2 355.459 3.147 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@@](=O)C1 ZINC000277507323 496797306 /nfs/dbraw/zinc/79/73/06/496797306.db2.gz PUFMKGWJJLDYBN-HWRSSNJWSA-N 1 2 355.459 3.147 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000195057274 496807585 /nfs/dbraw/zinc/80/75/85/496807585.db2.gz HHPQFOHNUCQMGY-UHFFFAOYSA-N 1 2 350.378 3.390 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)Cc3ccccc3)n2)c1 ZINC000268955350 496834331 /nfs/dbraw/zinc/83/43/31/496834331.db2.gz GUZRFKDEEVRKRH-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)Cc3ccccc3)n2)c1 ZINC000268955350 496834335 /nfs/dbraw/zinc/83/43/35/496834335.db2.gz GUZRFKDEEVRKRH-UHFFFAOYSA-N 1 2 368.393 3.029 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000277632529 496836155 /nfs/dbraw/zinc/83/61/55/496836155.db2.gz KXRGZUQGLMGFDE-UHFFFAOYSA-N 1 2 373.457 3.018 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776764 496914959 /nfs/dbraw/zinc/91/49/59/496914959.db2.gz WYBHWTXQQIGBNN-KEYYUXOJSA-N 1 2 374.466 3.382 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000273811847 496916045 /nfs/dbraw/zinc/91/60/45/496916045.db2.gz DJBTWTXSUJRPMF-GUYCJALGSA-N 1 2 374.416 3.318 20 5 FGBDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273814063 496917075 /nfs/dbraw/zinc/91/70/75/496917075.db2.gz BJEJDYQTFHHYJE-GFCCVEGCSA-N 1 2 360.389 3.141 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893683 496924999 /nfs/dbraw/zinc/92/49/99/496924999.db2.gz WETAHYXGPHZQAO-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277893683 496925004 /nfs/dbraw/zinc/92/50/04/496925004.db2.gz WETAHYXGPHZQAO-MFKMUULPSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000265840615 497192015 /nfs/dbraw/zinc/19/20/15/497192015.db2.gz VNWJTDXYYMIBMR-UHFFFAOYSA-N 1 2 352.394 3.145 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000249459529 497207022 /nfs/dbraw/zinc/20/70/22/497207022.db2.gz YWZNFAVRUUZYEX-JSGCOSHPSA-N 1 2 368.846 3.189 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000249459529 497207027 /nfs/dbraw/zinc/20/70/27/497207027.db2.gz YWZNFAVRUUZYEX-JSGCOSHPSA-N 1 2 368.846 3.189 20 5 FGBDLO Nc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000192802427 497218057 /nfs/dbraw/zinc/21/80/57/497218057.db2.gz BIPIPULYGUXQGL-UHFFFAOYSA-N 1 2 363.421 3.179 20 5 FGBDLO O=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000255946283 497379232 /nfs/dbraw/zinc/37/92/32/497379232.db2.gz XBSJIJBUGRBKAI-UHFFFAOYSA-N 1 2 369.406 3.368 20 5 FGBDLO COc1cccc(C2([NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000271672412 497415303 /nfs/dbraw/zinc/41/53/03/497415303.db2.gz DHSHLJFQKPFACE-UHFFFAOYSA-N 1 2 366.377 3.432 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)c1ccccc1 ZINC000267029726 497472271 /nfs/dbraw/zinc/47/22/71/497472271.db2.gz MHRFSALFFBRAOE-UHFFFAOYSA-N 1 2 357.385 3.128 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000245920893 497571369 /nfs/dbraw/zinc/57/13/69/497571369.db2.gz SQANSVLOGOYYQS-SWLSCSKDSA-N 1 2 365.842 3.485 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000245920893 497571374 /nfs/dbraw/zinc/57/13/74/497571374.db2.gz SQANSVLOGOYYQS-SWLSCSKDSA-N 1 2 365.842 3.485 20 5 FGBDLO COc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c([N+](=O)[O-])cc1OC ZINC000267602571 497586607 /nfs/dbraw/zinc/58/66/07/497586607.db2.gz DZWMULSMTNDTLL-SNVBAGLBSA-N 1 2 367.427 3.066 20 5 FGBDLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000268215702 497703512 /nfs/dbraw/zinc/70/35/12/497703512.db2.gz PZMOLOFYYWOJHO-UHFFFAOYSA-N 1 2 366.443 3.051 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295903996 497849667 /nfs/dbraw/zinc/84/96/67/497849667.db2.gz NOYIKCOBMDHIHN-HNNXBMFYSA-N 1 2 360.439 3.030 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cc([N+](=O)[O-])c1 ZINC000284647749 497854147 /nfs/dbraw/zinc/85/41/47/497854147.db2.gz PFVVRYZLMGVEDE-GOSISDBHSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000301309738 498049644 /nfs/dbraw/zinc/04/96/44/498049644.db2.gz YAMNWTSABPNGEL-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285341331 498057677 /nfs/dbraw/zinc/05/76/77/498057677.db2.gz OVQJTJOPRXRFAK-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285341331 498057671 /nfs/dbraw/zinc/05/76/71/498057671.db2.gz OVQJTJOPRXRFAK-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO Cc1cc(NC[C@@](C)(O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301415836 498101401 /nfs/dbraw/zinc/10/14/01/498101401.db2.gz LVEQSWQIJZREDO-GOSISDBHSA-N 1 2 354.366 3.273 20 5 FGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000301577244 498170989 /nfs/dbraw/zinc/17/09/89/498170989.db2.gz REAVQOKZBJEMDP-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000285709175 498176832 /nfs/dbraw/zinc/17/68/32/498176832.db2.gz SDTVINZHVKZPOJ-SNVBAGLBSA-N 1 2 361.348 3.243 20 5 FGBDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289529220 498180730 /nfs/dbraw/zinc/18/07/30/498180730.db2.gz BRPCHVBKLCYOSN-LLVKDONJSA-N 1 2 360.241 3.250 20 5 FGBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289529220 498180738 /nfs/dbraw/zinc/18/07/38/498180738.db2.gz BRPCHVBKLCYOSN-LLVKDONJSA-N 1 2 360.241 3.250 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281700280 498240967 /nfs/dbraw/zinc/24/09/67/498240967.db2.gz BQXXCKFYJRDOSB-OAHLLOKOSA-N 1 2 368.437 3.456 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293057874 498252413 /nfs/dbraw/zinc/25/24/13/498252413.db2.gz OSOZNYJIRDYPSY-JTQLQIEISA-N 1 2 368.315 3.357 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301781206 498261796 /nfs/dbraw/zinc/26/17/96/498261796.db2.gz RVDRUOQGZKVYOY-GFCCVEGCSA-N 1 2 363.215 3.443 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000360368356 498269527 /nfs/dbraw/zinc/26/95/27/498269527.db2.gz YQSRUKCUFUPCQI-CYBMUJFWSA-N 1 2 353.382 3.035 20 5 FGBDLO CC(C)(C)Oc1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301868804 498302603 /nfs/dbraw/zinc/30/26/03/498302603.db2.gz HZVAUIZBCIBBHH-UHFFFAOYSA-N 1 2 356.426 3.494 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1Cl ZINC000286435512 498395977 /nfs/dbraw/zinc/39/59/77/498395977.db2.gz JAWVJJGMWYHXMY-WDEREUQCSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1Cl ZINC000286435512 498395975 /nfs/dbraw/zinc/39/59/75/498395975.db2.gz JAWVJJGMWYHXMY-WDEREUQCSA-N 1 2 352.740 3.241 20 5 FGBDLO COc1ccc2[nH+]c(N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000302769253 498566286 /nfs/dbraw/zinc/56/62/86/498566286.db2.gz BJOJIEHNFBBPPA-CQSZACIVSA-N 1 2 365.393 3.237 20 5 FGBDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc([N+](=O)[O-])c1 ZINC000332651389 498753990 /nfs/dbraw/zinc/75/39/90/498753990.db2.gz NIPVYKTVHPALTA-CQSZACIVSA-N 1 2 356.426 3.142 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291023681 498761708 /nfs/dbraw/zinc/76/17/08/498761708.db2.gz CXHXCDAFYUGBFA-UHFFFAOYSA-N 1 2 365.340 3.042 20 5 FGBDLO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000327380323 498857253 /nfs/dbraw/zinc/85/72/53/498857253.db2.gz OFOFZYZAHMXINQ-ZBEGNZNMSA-N 1 2 364.398 3.303 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1F ZINC000366696072 499036522 /nfs/dbraw/zinc/03/65/22/499036522.db2.gz CVLDENMYNPWRRS-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000366983800 499126518 /nfs/dbraw/zinc/12/65/18/499126518.db2.gz SVVSZJGNVPQMND-CYBMUJFWSA-N 1 2 365.231 3.428 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000370717533 499247863 /nfs/dbraw/zinc/24/78/63/499247863.db2.gz VJTVIKDOXUMXGO-KRWDZBQOSA-N 1 2 356.426 3.498 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000370952877 499274102 /nfs/dbraw/zinc/27/41/02/499274102.db2.gz IVADGFNMSMCBOL-LBPRGKRZSA-N 1 2 360.439 3.129 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007572 499356427 /nfs/dbraw/zinc/35/64/27/499356427.db2.gz IVNOWYIYQQONIE-CVEARBPZSA-N 1 2 371.441 3.072 20 5 FGBDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007572 499356429 /nfs/dbraw/zinc/35/64/29/499356429.db2.gz IVNOWYIYQQONIE-CVEARBPZSA-N 1 2 371.441 3.072 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000369019227 499358197 /nfs/dbraw/zinc/35/81/97/499358197.db2.gz ONXFDNNGMPMOOA-CQSZACIVSA-N 1 2 370.438 3.147 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000369019227 499358199 /nfs/dbraw/zinc/35/81/99/499358199.db2.gz ONXFDNNGMPMOOA-CQSZACIVSA-N 1 2 370.438 3.147 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000373746204 499486082 /nfs/dbraw/zinc/48/60/82/499486082.db2.gz NPWLSEBSFZGOIA-OAHLLOKOSA-N 1 2 368.397 3.055 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000373766808 499487010 /nfs/dbraw/zinc/48/70/10/499487010.db2.gz APZNJKQBNDLFRK-ZDUSSCGKSA-N 1 2 353.382 3.035 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000378443735 499517462 /nfs/dbraw/zinc/51/74/62/499517462.db2.gz NWLDZQRLGSKHFC-UHFFFAOYSA-N 1 2 366.421 3.334 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000378443735 499517464 /nfs/dbraw/zinc/51/74/64/499517464.db2.gz NWLDZQRLGSKHFC-UHFFFAOYSA-N 1 2 366.421 3.334 20 5 FGBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)[nH+]c2c1 ZINC000411568407 499764255 /nfs/dbraw/zinc/76/42/55/499764255.db2.gz KPQAJYZNWYQUJE-UHFFFAOYSA-N 1 2 368.393 3.268 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414471993 499796543 /nfs/dbraw/zinc/79/65/43/499796543.db2.gz QVZXVWHFGWPNIM-CQSZACIVSA-N 1 2 350.346 3.034 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414471993 499796545 /nfs/dbraw/zinc/79/65/45/499796545.db2.gz QVZXVWHFGWPNIM-CQSZACIVSA-N 1 2 350.346 3.034 20 5 FGBDLO Cn1c2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000412328648 499845310 /nfs/dbraw/zinc/84/53/10/499845310.db2.gz HTMBQGZIOKYJDI-UHFFFAOYSA-N 1 2 368.368 3.428 20 5 FGBDLO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000412656957 499872948 /nfs/dbraw/zinc/87/29/48/499872948.db2.gz NXLGQOCXGKIGMH-NSHDSACASA-N 1 2 370.331 3.489 20 5 FGBDLO O=C1CC[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@H]2N1C1CC1 ZINC000413200630 499926030 /nfs/dbraw/zinc/92/60/30/499926030.db2.gz JEGWEITYHSGAOE-KBXCAEBGSA-N 1 2 366.421 3.123 20 5 FGBDLO O=C(NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000413216114 499928135 /nfs/dbraw/zinc/92/81/35/499928135.db2.gz QKVVHWMNXSZEIT-UHFFFAOYSA-N 1 2 357.414 3.187 20 5 FGBDLO COCCn1cc2c(n1)[C@@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000413249825 499932413 /nfs/dbraw/zinc/93/24/13/499932413.db2.gz TYXXFBLQMXZNFN-KRWDZBQOSA-N 1 2 367.409 3.475 20 5 FGBDLO COc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000421206147 499992319 /nfs/dbraw/zinc/99/23/19/499992319.db2.gz AEILGVHKJBVTQU-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cn2ccc(C)cc2[nH+]1 ZINC000429218208 500025684 /nfs/dbraw/zinc/02/56/84/500025684.db2.gz XQEHJBVZJXBAFT-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000430202642 500208550 /nfs/dbraw/zinc/20/85/50/500208550.db2.gz MRAZHJDGHVPUPP-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000430202642 500208552 /nfs/dbraw/zinc/20/85/52/500208552.db2.gz MRAZHJDGHVPUPP-GOSISDBHSA-N 1 2 369.421 3.231 20 5 FGBDLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000428476752 500515533 /nfs/dbraw/zinc/51/55/33/500515533.db2.gz CGWSFTWOFNCPDC-ZDUSSCGKSA-N 1 2 357.414 3.030 20 5 FGBDLO Cc1c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000428847513 500565425 /nfs/dbraw/zinc/56/54/25/500565425.db2.gz BHNCJLVTEDJIJW-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO Cc1c(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000428847513 500565428 /nfs/dbraw/zinc/56/54/28/500565428.db2.gz BHNCJLVTEDJIJW-UHFFFAOYSA-N 1 2 357.385 3.306 20 5 FGBDLO Cc1c(C[NH2+][C@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000432991396 500602870 /nfs/dbraw/zinc/60/28/70/500602870.db2.gz JOTVLAZEYZAINZ-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000447811430 500667318 /nfs/dbraw/zinc/66/73/18/500667318.db2.gz NRVPDZBJLBJGAJ-RTBURBONSA-N 1 2 367.449 3.470 20 5 FGBDLO CCc1noc(CC)c1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812982 500668077 /nfs/dbraw/zinc/66/80/77/500668077.db2.gz OSJXEANOFVCXRP-UHFFFAOYSA-N 1 2 374.441 3.152 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121910 500683340 /nfs/dbraw/zinc/68/33/40/500683340.db2.gz XZTMJRSLRSIJQK-HIFRSBDPSA-N 1 2 371.441 3.435 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850209 500706340 /nfs/dbraw/zinc/70/63/40/500706340.db2.gz QENTZWFOJOCINF-GOEBONIOSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437850209 500706342 /nfs/dbraw/zinc/70/63/42/500706342.db2.gz QENTZWFOJOCINF-GOEBONIOSA-N 1 2 369.421 3.247 20 5 FGBDLO CCCc1ncc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000449613042 501043798 /nfs/dbraw/zinc/04/37/98/501043798.db2.gz QLCGRJLVVUTOBU-KRWDZBQOSA-N 1 2 355.398 3.148 20 5 FGBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000446107320 501075692 /nfs/dbraw/zinc/07/56/92/501075692.db2.gz HKSQUQBABAWELQ-UHFFFAOYSA-N 1 2 355.329 3.007 20 5 FGBDLO CS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449887903 501118196 /nfs/dbraw/zinc/11/81/96/501118196.db2.gz NRGYVWMEFHTKNN-KBPBESRZSA-N 1 2 360.439 3.185 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735152 501159673 /nfs/dbraw/zinc/15/96/73/501159673.db2.gz NJQYDFPFAUSVMM-GPINWOSQSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735152 501159675 /nfs/dbraw/zinc/15/96/75/501159675.db2.gz NJQYDFPFAUSVMM-GPINWOSQSA-N 1 2 359.470 3.282 20 5 FGBDLO CCSCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450055099 501166345 /nfs/dbraw/zinc/16/63/45/501166345.db2.gz BDBLCIRSVUCDBU-ZDUSSCGKSA-N 1 2 362.455 3.384 20 5 FGBDLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450803494 501211349 /nfs/dbraw/zinc/21/13/49/501211349.db2.gz AVPOCRINJBXZRA-SOLBZPMBSA-N 1 2 368.437 3.348 20 5 FGBDLO COC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC(C)CC1 ZINC000451349528 501272364 /nfs/dbraw/zinc/27/23/64/501272364.db2.gz YQBMYPLWLIAQEO-UHFFFAOYSA-N 1 2 372.425 3.106 20 5 FGBDLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456133890 501461568 /nfs/dbraw/zinc/46/15/68/501461568.db2.gz GFZZUWGIUITSHS-HOCLYGCPSA-N 1 2 354.410 3.144 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456240792 501479902 /nfs/dbraw/zinc/47/99/02/501479902.db2.gz CWXSKLCJOXYOBM-MAUKXSAKSA-N 1 2 352.394 3.041 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456340274 501503194 /nfs/dbraw/zinc/50/31/94/501503194.db2.gz DGOVDPLZUHYWPC-VIFPVBQESA-N 1 2 356.304 3.321 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000456411994 501520567 /nfs/dbraw/zinc/52/05/67/501520567.db2.gz HBNQWOXVTWVBDP-PRHODGIISA-N 1 2 354.288 3.246 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1Br ZINC000602706886 506268021 /nfs/dbraw/zinc/26/80/21/506268021.db2.gz HBHSCNJDKDEHDL-CYBMUJFWSA-N 1 2 361.261 3.156 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1Br ZINC000602706886 506268031 /nfs/dbraw/zinc/26/80/31/506268031.db2.gz HBHSCNJDKDEHDL-CYBMUJFWSA-N 1 2 361.261 3.156 20 5 FGBDLO COc1ccnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1F ZINC000602712429 506270173 /nfs/dbraw/zinc/27/01/73/506270173.db2.gz VZRTXBOFRJFFTO-UHFFFAOYSA-N 1 2 359.279 3.446 20 5 FGBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000602727996 506275851 /nfs/dbraw/zinc/27/58/51/506275851.db2.gz HABHGWXARKBRNE-UHFFFAOYSA-N 1 2 362.430 3.077 20 5 FGBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000602727996 506275854 /nfs/dbraw/zinc/27/58/54/506275854.db2.gz HABHGWXARKBRNE-UHFFFAOYSA-N 1 2 362.430 3.077 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000460494242 501839174 /nfs/dbraw/zinc/83/91/74/501839174.db2.gz MMMJLDQMUUVZKM-UHFFFAOYSA-N 1 2 350.378 3.061 20 5 FGBDLO CN(C)c1[nH]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2[nH+]1 ZINC000468200684 501987185 /nfs/dbraw/zinc/98/71/85/501987185.db2.gz ILWVPKISLIURHI-UHFFFAOYSA-N 1 2 373.800 3.372 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000464481368 502000969 /nfs/dbraw/zinc/00/09/69/502000969.db2.gz PBUDXXXBTLVNJY-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000464481368 502000973 /nfs/dbraw/zinc/00/09/73/502000973.db2.gz PBUDXXXBTLVNJY-UHFFFAOYSA-N 1 2 374.368 3.087 20 5 FGBDLO CC1(C2CC2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000461200504 502036231 /nfs/dbraw/zinc/03/62/31/502036231.db2.gz MBCXLUATSMAXKC-UHFFFAOYSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1cccc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000475354018 502146995 /nfs/dbraw/zinc/14/69/95/502146995.db2.gz GNQHKAXEYIGJHP-SFHVURJKSA-N 1 2 371.437 3.397 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479129391 502172391 /nfs/dbraw/zinc/17/23/91/502172391.db2.gz PMZZVDXICRAMDG-HOCLYGCPSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479129391 502172394 /nfs/dbraw/zinc/17/23/94/502172394.db2.gz PMZZVDXICRAMDG-HOCLYGCPSA-N 1 2 369.421 3.247 20 5 FGBDLO C[C@@H](CCc1cccn1C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472361114 502328880 /nfs/dbraw/zinc/32/88/80/502328880.db2.gz MIMFHKRXYRYUGQ-INIZCTEOSA-N 1 2 372.469 3.199 20 5 FGBDLO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000483343686 502356383 /nfs/dbraw/zinc/35/63/83/502356383.db2.gz PFMSCTULPYXZTE-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000483343686 502356391 /nfs/dbraw/zinc/35/63/91/502356391.db2.gz PFMSCTULPYXZTE-KRWDZBQOSA-N 1 2 354.834 3.408 20 5 FGBDLO CCC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000479919275 502420361 /nfs/dbraw/zinc/42/03/61/502420361.db2.gz ZGBHHZFARXQGDP-KBPBESRZSA-N 1 2 363.458 3.487 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483545911 502427768 /nfs/dbraw/zinc/42/77/68/502427768.db2.gz BHZPMPHBUJJWMJ-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483545911 502427773 /nfs/dbraw/zinc/42/77/73/502427773.db2.gz BHZPMPHBUJJWMJ-IBGZPJMESA-N 1 2 358.394 3.056 20 5 FGBDLO COC(=O)Cc1cc[nH+]c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000596213885 506314631 /nfs/dbraw/zinc/31/46/31/506314631.db2.gz JKJPVOGMKQCASP-UHFFFAOYSA-N 1 2 369.299 3.336 20 5 FGBDLO COc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000462836106 502594301 /nfs/dbraw/zinc/59/43/01/502594301.db2.gz XOVNLPIFSMTVPQ-UHFFFAOYSA-N 1 2 370.405 3.365 20 5 FGBDLO COc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000462836106 502594302 /nfs/dbraw/zinc/59/43/02/502594302.db2.gz XOVNLPIFSMTVPQ-UHFFFAOYSA-N 1 2 370.405 3.365 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473519066 502619778 /nfs/dbraw/zinc/61/97/78/502619778.db2.gz LROZHOMADRQBFB-OAHLLOKOSA-N 1 2 363.421 3.421 20 5 FGBDLO CCOc1cc(N2CCN(c3cc[nH+]c(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000480849108 502687531 /nfs/dbraw/zinc/68/75/31/502687531.db2.gz CVXOJUVDAAYDMJ-UHFFFAOYSA-N 1 2 371.441 3.234 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000477155634 502693461 /nfs/dbraw/zinc/69/34/61/502693461.db2.gz ZGWAJWCFKLKMOE-UHFFFAOYSA-N 1 2 364.283 3.309 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488741870 502799930 /nfs/dbraw/zinc/79/99/30/502799930.db2.gz CQAUSFRITJGQGS-RDJZCZTQSA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488741870 502799933 /nfs/dbraw/zinc/79/99/33/502799933.db2.gz CQAUSFRITJGQGS-RDJZCZTQSA-N 1 2 360.458 3.042 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512954037 502821562 /nfs/dbraw/zinc/82/15/62/502821562.db2.gz FCVPDGJHIDMBGC-UHFFFAOYSA-N 1 2 366.421 3.208 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000513154689 502865961 /nfs/dbraw/zinc/86/59/61/502865961.db2.gz QUOCPIIPOICUTP-INIZCTEOSA-N 1 2 352.387 3.364 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000582644204 506342510 /nfs/dbraw/zinc/34/25/10/506342510.db2.gz HPJJFXCVOYMEIC-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO COc1ccc(OCCOc2ccc3c(c2)[nH+]c(C)n3C)c([N+](=O)[O-])c1 ZINC000596285054 506342039 /nfs/dbraw/zinc/34/20/39/506342039.db2.gz HZCIILKHLIJWPN-UHFFFAOYSA-N 1 2 357.366 3.256 20 5 FGBDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000513661952 502994286 /nfs/dbraw/zinc/99/42/86/502994286.db2.gz RNJXCNFLFPJHOR-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO CCOc1ncccc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513763529 503018855 /nfs/dbraw/zinc/01/88/55/503018855.db2.gz YXUYDFZLPQDENE-QGZVFWFLSA-N 1 2 367.409 3.001 20 5 FGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000491092762 503271830 /nfs/dbraw/zinc/27/18/30/503271830.db2.gz UFSXROYOVVGCSA-KRWDZBQOSA-N 1 2 358.369 3.396 20 5 FGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000491092762 503271834 /nfs/dbraw/zinc/27/18/34/503271834.db2.gz UFSXROYOVVGCSA-KRWDZBQOSA-N 1 2 358.369 3.396 20 5 FGBDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055828 506364633 /nfs/dbraw/zinc/36/46/33/506364633.db2.gz ROHPVMMNSZXTPS-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055828 506364638 /nfs/dbraw/zinc/36/46/38/506364638.db2.gz ROHPVMMNSZXTPS-ZDUSSCGKSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836452 503332187 /nfs/dbraw/zinc/33/21/87/503332187.db2.gz CHXBXBTXPLWSTI-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491836452 503332189 /nfs/dbraw/zinc/33/21/89/503332189.db2.gz CHXBXBTXPLWSTI-WCQYABFASA-N 1 2 374.384 3.247 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000515418536 503334956 /nfs/dbraw/zinc/33/49/56/503334956.db2.gz UTRKXRXRSKQNGI-ZDUSSCGKSA-N 1 2 368.315 3.228 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649177 503362197 /nfs/dbraw/zinc/36/21/97/503362197.db2.gz PAXNGDLXDUGAOI-KOLCDFICSA-N 1 2 352.740 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511649177 503362201 /nfs/dbraw/zinc/36/22/01/503362201.db2.gz PAXNGDLXDUGAOI-KOLCDFICSA-N 1 2 352.740 3.241 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000499242873 503363325 /nfs/dbraw/zinc/36/33/25/503363325.db2.gz IKEBYGVNOMIGBH-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO CCOc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492373457 503367320 /nfs/dbraw/zinc/36/73/20/503367320.db2.gz FCOWZMCIVQTJKO-UHFFFAOYSA-N 1 2 359.401 3.455 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493157976 503410773 /nfs/dbraw/zinc/41/07/73/503410773.db2.gz ZLPOLJHMHNMOTA-QGZVFWFLSA-N 1 2 366.377 3.188 20 5 FGBDLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494287708 503520018 /nfs/dbraw/zinc/52/00/18/503520018.db2.gz LSHSSSZIBGDFHJ-PEZBUJJGSA-N 1 2 374.462 3.404 20 5 FGBDLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494287708 503520019 /nfs/dbraw/zinc/52/00/19/503520019.db2.gz LSHSSSZIBGDFHJ-PEZBUJJGSA-N 1 2 374.462 3.404 20 5 FGBDLO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000504323818 503556328 /nfs/dbraw/zinc/55/63/28/503556328.db2.gz FLFFTUQJROZTQD-AWEZNQCLSA-N 1 2 362.389 3.431 20 5 FGBDLO CCn1cc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cn1 ZINC000593078981 506381031 /nfs/dbraw/zinc/38/10/31/506381031.db2.gz AZYTXIRAUWZRHW-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO CCn1cc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cn1 ZINC000593078981 506381033 /nfs/dbraw/zinc/38/10/33/506381033.db2.gz AZYTXIRAUWZRHW-UHFFFAOYSA-N 1 2 370.413 3.272 20 5 FGBDLO Cc1cc(C)c(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC000517697029 503810076 /nfs/dbraw/zinc/81/00/76/503810076.db2.gz XESPBGIRXXYUHD-UHFFFAOYSA-N 1 2 367.409 3.130 20 5 FGBDLO Cc1c(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000533357999 503815907 /nfs/dbraw/zinc/81/59/07/503815907.db2.gz DIGGYWJFWNZIBM-UHFFFAOYSA-N 1 2 360.458 3.063 20 5 FGBDLO Cc1cn2cc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000540574301 503820974 /nfs/dbraw/zinc/82/09/74/503820974.db2.gz FVJSAHAECXLCDK-UHFFFAOYSA-N 1 2 354.366 3.267 20 5 FGBDLO Cc1ccc(C(C)(C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 ZINC000546809164 503885990 /nfs/dbraw/zinc/88/59/90/503885990.db2.gz XNVPRXVEAGQUNW-UHFFFAOYSA-N 1 2 353.382 3.373 20 5 FGBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000543778898 503889498 /nfs/dbraw/zinc/88/94/98/503889498.db2.gz BUKSMFNXZKZAMW-UHFFFAOYSA-N 1 2 371.397 3.014 20 5 FGBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000543778898 503889502 /nfs/dbraw/zinc/88/95/02/503889502.db2.gz BUKSMFNXZKZAMW-UHFFFAOYSA-N 1 2 371.397 3.014 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000543791292 503894826 /nfs/dbraw/zinc/89/48/26/503894826.db2.gz CLLCBIATKPJUKD-AWEZNQCLSA-N 1 2 362.455 3.154 20 5 FGBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000543851768 503915424 /nfs/dbraw/zinc/91/54/24/503915424.db2.gz VPZUSSOWTCIAFY-UHFFFAOYSA-N 1 2 364.352 3.226 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC12CC3CC(CC(C3)C1)C2 ZINC000533803486 503955017 /nfs/dbraw/zinc/95/50/17/503955017.db2.gz NKMQGRCYDHMPPD-UHFFFAOYSA-N 1 2 369.465 3.038 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC12CC3CC(CC(C3)C1)C2 ZINC000533803486 503955020 /nfs/dbraw/zinc/95/50/20/503955020.db2.gz NKMQGRCYDHMPPD-UHFFFAOYSA-N 1 2 369.465 3.038 20 5 FGBDLO CCc1c[nH+]ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544048112 503987159 /nfs/dbraw/zinc/98/71/59/503987159.db2.gz XFYAYGHRWLXDHN-UHFFFAOYSA-N 1 2 351.815 3.358 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000544405917 504120634 /nfs/dbraw/zinc/12/06/34/504120634.db2.gz VZXTUKUFPCHEJJ-INIZCTEOSA-N 1 2 373.384 3.433 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000544405917 504120639 /nfs/dbraw/zinc/12/06/39/504120639.db2.gz VZXTUKUFPCHEJJ-INIZCTEOSA-N 1 2 373.384 3.433 20 5 FGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000544626295 504196856 /nfs/dbraw/zinc/19/68/56/504196856.db2.gz OXYKDNNEGIFQLX-UHFFFAOYSA-N 1 2 369.356 3.300 20 5 FGBDLO CCc1cc(NC[C@@H](O)C(CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519732917 504319833 /nfs/dbraw/zinc/31/98/33/504319833.db2.gz YHVRVJQLEJWFMO-QGZVFWFLSA-N 1 2 358.442 3.245 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)n1 ZINC000548119294 504336466 /nfs/dbraw/zinc/33/64/66/504336466.db2.gz ZOIBXXNAHIQNRS-UHFFFAOYSA-N 1 2 367.384 3.494 20 5 FGBDLO COc1cccc(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000548117419 504336687 /nfs/dbraw/zinc/33/66/87/504336687.db2.gz XHHWSHGRJXJBIU-GOSISDBHSA-N 1 2 371.437 3.397 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(Cc3[nH+]ccn3CC(F)(F)F)c2c(Cl)c1 ZINC000539247992 504511672 /nfs/dbraw/zinc/51/16/72/504511672.db2.gz HTNYXOGBVSCKKL-UHFFFAOYSA-N 1 2 359.695 3.405 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000542701732 504581659 /nfs/dbraw/zinc/58/16/59/504581659.db2.gz JHIUWIABTUWSOL-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000536022785 504611447 /nfs/dbraw/zinc/61/14/47/504611447.db2.gz JOBQYWUSCFYDSS-CQSZACIVSA-N 1 2 363.215 3.351 20 5 FGBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000536022785 504611450 /nfs/dbraw/zinc/61/14/50/504611450.db2.gz JOBQYWUSCFYDSS-CQSZACIVSA-N 1 2 363.215 3.351 20 5 FGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Br)s1 ZINC000549172588 504712362 /nfs/dbraw/zinc/71/23/62/504712362.db2.gz MWLATDYKPJMODY-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Br)s1 ZINC000549172588 504712367 /nfs/dbraw/zinc/71/23/67/504712367.db2.gz MWLATDYKPJMODY-UHFFFAOYSA-N 1 2 356.245 3.488 20 5 FGBDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000521414907 504731835 /nfs/dbraw/zinc/73/18/35/504731835.db2.gz SLXHRYXOYYQJKM-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521529667 504753182 /nfs/dbraw/zinc/75/31/82/504753182.db2.gz SFDTUHRQAIHGSO-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521529667 504753185 /nfs/dbraw/zinc/75/31/85/504753185.db2.gz SFDTUHRQAIHGSO-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000552926786 504789772 /nfs/dbraw/zinc/78/97/72/504789772.db2.gz YXMAAZTUMAATIJ-WMLDXEAASA-N 1 2 356.426 3.165 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000549344405 504796115 /nfs/dbraw/zinc/79/61/15/504796115.db2.gz CDEJRRGTNRSBSQ-UHFFFAOYSA-N 1 2 372.425 3.049 20 5 FGBDLO CC(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000556183728 504813185 /nfs/dbraw/zinc/81/31/85/504813185.db2.gz WXWBEXUKJGBUMD-CQSZACIVSA-N 1 2 370.331 3.487 20 5 FGBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553602483 504960077 /nfs/dbraw/zinc/96/00/77/504960077.db2.gz XSFCILAIXOQBOB-PWSUYJOCSA-N 1 2 360.241 3.201 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000562886612 504976339 /nfs/dbraw/zinc/97/63/39/504976339.db2.gz MVEHMHAEAJQZCM-CABCVRRESA-N 1 2 354.410 3.431 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000560162984 505008578 /nfs/dbraw/zinc/00/85/78/505008578.db2.gz ZPYMMUJYFUUGAS-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000560162984 505008582 /nfs/dbraw/zinc/00/85/82/505008582.db2.gz ZPYMMUJYFUUGAS-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO O=C1[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000554285210 505135439 /nfs/dbraw/zinc/13/54/39/505135439.db2.gz GTUDEBZQJHRUBI-KRWDZBQOSA-N 1 2 357.797 3.369 20 5 FGBDLO O=C1[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000554285210 505135442 /nfs/dbraw/zinc/13/54/42/505135442.db2.gz GTUDEBZQJHRUBI-KRWDZBQOSA-N 1 2 357.797 3.369 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000561041582 505236612 /nfs/dbraw/zinc/23/66/12/505236612.db2.gz NNFPCOAYEWTCBU-HXUWFJFHSA-N 1 2 356.422 3.118 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000561041582 505236615 /nfs/dbraw/zinc/23/66/15/505236615.db2.gz NNFPCOAYEWTCBU-HXUWFJFHSA-N 1 2 356.422 3.118 20 5 FGBDLO CC(C)Cn1cc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000552070494 505389794 /nfs/dbraw/zinc/38/97/94/505389794.db2.gz SFVLBLVPKYVYSZ-QGZVFWFLSA-N 1 2 354.414 3.382 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000555462224 505436451 /nfs/dbraw/zinc/43/64/51/505436451.db2.gz FUPMXBXPWKQGHR-VIFPVBQESA-N 1 2 352.188 3.309 20 5 FGBDLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000555742614 505505605 /nfs/dbraw/zinc/50/56/05/505505605.db2.gz VCRKKYMDFXQVET-CQSZACIVSA-N 1 2 357.385 3.253 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000552557286 505514299 /nfs/dbraw/zinc/51/42/99/505514299.db2.gz BNMBJBKTUYPPCD-QWHCGFSZSA-N 1 2 357.414 3.045 20 5 FGBDLO CSc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000609037774 506765809 /nfs/dbraw/zinc/76/58/09/506765809.db2.gz RZIPRXMAUBHFLO-UHFFFAOYSA-N 1 2 374.344 3.006 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC000604503310 506854842 /nfs/dbraw/zinc/85/48/42/506854842.db2.gz OCXZVKMTKJIPMR-KRWDZBQOSA-N 1 2 362.389 3.410 20 5 FGBDLO CCOc1cc(NC(=O)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OCC ZINC000604528389 506861921 /nfs/dbraw/zinc/86/19/21/506861921.db2.gz QBBHPSGDKKFDCP-UHFFFAOYSA-N 1 2 362.386 3.008 20 5 FGBDLO C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600449738 506959283 /nfs/dbraw/zinc/95/92/83/506959283.db2.gz SRMOHGYFODKCBG-NSHDSACASA-N 1 2 350.325 3.040 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609681631 506973776 /nfs/dbraw/zinc/97/37/76/506973776.db2.gz HPNDHDWZIPQPRN-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610003854 507068106 /nfs/dbraw/zinc/06/81/06/507068106.db2.gz KYKIHKKKRHPIHE-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610003854 507068110 /nfs/dbraw/zinc/06/81/10/507068110.db2.gz KYKIHKKKRHPIHE-ZDUSSCGKSA-N 1 2 369.396 3.242 20 5 FGBDLO Cc1sc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610304704 507186046 /nfs/dbraw/zinc/18/60/46/507186046.db2.gz XHWAPEZSUYITCR-AWEZNQCLSA-N 1 2 370.434 3.412 20 5 FGBDLO CCC(O)(CC)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597944201 507192281 /nfs/dbraw/zinc/19/22/81/507192281.db2.gz IXYBRKFTUCJIFI-UHFFFAOYSA-N 1 2 374.441 3.088 20 5 FGBDLO COc1cc(C[NH+]2CC3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000594608583 507208905 /nfs/dbraw/zinc/20/89/05/507208905.db2.gz DUWDLMXUPMKCMJ-UHFFFAOYSA-N 1 2 364.295 3.088 20 5 FGBDLO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367295 507215027 /nfs/dbraw/zinc/21/50/27/507215027.db2.gz VPIFQHVKIUFTQN-HNNXBMFYSA-N 1 2 369.421 3.122 20 5 FGBDLO C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000601314646 507333888 /nfs/dbraw/zinc/33/38/88/507333888.db2.gz MGRWAKRAIOTUTI-YJBOKZPZSA-N 1 2 368.437 3.323 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](C2CCC2)C1 ZINC000598396939 507408637 /nfs/dbraw/zinc/40/86/37/507408637.db2.gz QEAYLYILNBKXRY-INIZCTEOSA-N 1 2 354.410 3.433 20 5 FGBDLO Cc1noc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595325429 507459817 /nfs/dbraw/zinc/45/98/17/507459817.db2.gz HVJRYZBJLMNIDR-ZDUSSCGKSA-N 1 2 364.833 3.423 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)ccc1[N+](=O)[O-] ZINC000595466572 507512196 /nfs/dbraw/zinc/51/21/96/507512196.db2.gz VLZWFBVTAMRWHK-UHFFFAOYSA-N 1 2 372.425 3.181 20 5 FGBDLO Cc1noc(C[N@H+]2CCN(c3cccc(Cl)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595500943 507532952 /nfs/dbraw/zinc/53/29/52/507532952.db2.gz QBZHSZGUWYMFIW-NSHDSACASA-N 1 2 350.806 3.255 20 5 FGBDLO Cc1noc(C[N@@H+]2CCN(c3cccc(Cl)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595500943 507532959 /nfs/dbraw/zinc/53/29/59/507532959.db2.gz QBZHSZGUWYMFIW-NSHDSACASA-N 1 2 350.806 3.255 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611272041 507597351 /nfs/dbraw/zinc/59/73/51/507597351.db2.gz OTVUKOONLNPDBQ-MRXNPFEDSA-N 1 2 355.394 3.407 20 5 FGBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611272041 507597356 /nfs/dbraw/zinc/59/73/56/507597356.db2.gz OTVUKOONLNPDBQ-MRXNPFEDSA-N 1 2 355.394 3.407 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703492 507637446 /nfs/dbraw/zinc/63/74/46/507637446.db2.gz MBCPGUNYQRASQT-ROUUACIJSA-N 1 2 355.369 3.286 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595703492 507637449 /nfs/dbraw/zinc/63/74/49/507637449.db2.gz MBCPGUNYQRASQT-ROUUACIJSA-N 1 2 355.369 3.286 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595816361 507698638 /nfs/dbraw/zinc/69/86/38/507698638.db2.gz WOQCKHIYBPDIBD-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595816361 507698640 /nfs/dbraw/zinc/69/86/40/507698640.db2.gz WOQCKHIYBPDIBD-CYBMUJFWSA-N 1 2 358.398 3.178 20 5 FGBDLO CCOc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000595868757 507719875 /nfs/dbraw/zinc/71/98/75/507719875.db2.gz YYALRLWTLGGQSR-OAHLLOKOSA-N 1 2 352.337 3.095 20 5 FGBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000119005438 700617847 /nfs/dbraw/zinc/61/78/47/700617847.db2.gz XOGYEJAKFSBQRE-UHFFFAOYSA-N 1 2 369.849 3.466 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000152529807 704965724 /nfs/dbraw/zinc/96/57/24/704965724.db2.gz VAONTALCCXQHGQ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000152529807 704965728 /nfs/dbraw/zinc/96/57/28/704965728.db2.gz VAONTALCCXQHGQ-KRWDZBQOSA-N 1 2 359.813 3.377 20 5 FGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159991383 705240505 /nfs/dbraw/zinc/24/05/05/705240505.db2.gz CVSXBJNPZDBDRS-GFCCVEGCSA-N 1 2 361.789 3.044 20 5 FGBDLO Cc1nn(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000731026134 722472745 /nfs/dbraw/zinc/47/27/45/722472745.db2.gz ADKQAMNGLIJECJ-UHFFFAOYSA-N 1 2 350.463 3.425 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838019 722510396 /nfs/dbraw/zinc/51/03/96/722510396.db2.gz LISAKHYIYUZQRE-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838019 722510397 /nfs/dbraw/zinc/51/03/97/722510397.db2.gz LISAKHYIYUZQRE-OAHLLOKOSA-N 1 2 351.834 3.225 20 5 FGBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000746465566 722603770 /nfs/dbraw/zinc/60/37/70/722603770.db2.gz XBZRMBDFLKXAIO-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000746465566 722603772 /nfs/dbraw/zinc/60/37/72/722603772.db2.gz XBZRMBDFLKXAIO-GFCCVEGCSA-N 1 2 362.817 3.411 20 5 FGBDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746665741 722613256 /nfs/dbraw/zinc/61/32/56/722613256.db2.gz DUOZEWAPLKVTRF-UHFFFAOYSA-N 1 2 355.822 3.301 20 5 FGBDLO CSc1ccccc1C[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000794654497 723538494 /nfs/dbraw/zinc/53/84/94/723538494.db2.gz JECNMKIWEURNBW-UHFFFAOYSA-N 1 2 359.407 3.314 20 5 FGBDLO CSc1ccccc1C[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000794654497 723538497 /nfs/dbraw/zinc/53/84/97/723538497.db2.gz JECNMKIWEURNBW-UHFFFAOYSA-N 1 2 359.407 3.314 20 5 FGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 ZINC000769128066 723677637 /nfs/dbraw/zinc/67/76/37/723677637.db2.gz NMLQCKXPFGCXHZ-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769863119 723697984 /nfs/dbraw/zinc/69/79/84/723697984.db2.gz DSECKHMNAJGKQW-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769863119 723697985 /nfs/dbraw/zinc/69/79/85/723697985.db2.gz DSECKHMNAJGKQW-VIFPVBQESA-N 1 2 365.739 3.461 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000771152581 723729005 /nfs/dbraw/zinc/72/90/05/723729005.db2.gz DUXLQUAXYSXMIE-UHFFFAOYSA-N 1 2 365.327 3.362 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000771152581 723729006 /nfs/dbraw/zinc/72/90/06/723729006.db2.gz DUXLQUAXYSXMIE-UHFFFAOYSA-N 1 2 365.327 3.362 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639121 723913263 /nfs/dbraw/zinc/91/32/63/723913263.db2.gz JAVGDNOJJXQPMT-CQSZACIVSA-N 1 2 352.822 3.302 20 5 FGBDLO CC(C)CO[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639121 723913265 /nfs/dbraw/zinc/91/32/65/723913265.db2.gz JAVGDNOJJXQPMT-CQSZACIVSA-N 1 2 352.822 3.302 20 5 FGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3cccc(Br)c3)CC2)c1 ZINC000799165845 723993772 /nfs/dbraw/zinc/99/37/72/723993772.db2.gz QBACXQHUPYJQPO-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000786826455 725002215 /nfs/dbraw/zinc/00/22/15/725002215.db2.gz GYJMBAGLHOCTST-UHFFFAOYSA-N 1 2 360.844 3.003 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000832343671 729706249 /nfs/dbraw/zinc/70/62/49/729706249.db2.gz IVDDUHOJMUSWLR-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000832343671 729706253 /nfs/dbraw/zinc/70/62/53/729706253.db2.gz IVDDUHOJMUSWLR-SJCJKPOMSA-N 1 2 367.833 3.078 20 5 FGBDLO CCn1c[nH+]cc1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841881512 730282293 /nfs/dbraw/zinc/28/22/93/730282293.db2.gz FYGJWJJBYRFTQA-UHFFFAOYSA-N 1 2 365.231 3.132 20 5 FGBDLO Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])s1 ZINC000853245483 731687127 /nfs/dbraw/zinc/68/71/27/731687127.db2.gz ZXKGGDXWQBZNIO-UHFFFAOYSA-N 1 2 360.439 3.410 20 5 FGBDLO COCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000859398584 732322953 /nfs/dbraw/zinc/32/29/53/732322953.db2.gz JZRUQMXAASKVML-LBPRGKRZSA-N 1 2 369.849 3.324 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nccn3CC(F)F)C2)cc1 ZINC000878679158 736907173 /nfs/dbraw/zinc/90/71/73/736907173.db2.gz UKESYIDWXMAMKN-CQSZACIVSA-N 1 2 350.369 3.436 20 5 FGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nccn3CC(F)F)C2)cc1 ZINC000878679158 736907174 /nfs/dbraw/zinc/90/71/74/736907174.db2.gz UKESYIDWXMAMKN-CQSZACIVSA-N 1 2 350.369 3.436 20 5 FGBDLO C[C@](CO)([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC000929603534 760418448 /nfs/dbraw/zinc/41/84/48/760418448.db2.gz NLJFGKBJHUGCPD-MRXNPFEDSA-N 1 2 365.227 3.355 20 5 FGBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000931770044 760958854 /nfs/dbraw/zinc/95/88/54/760958854.db2.gz AIJQLXHVUZSVTK-LBPRGKRZSA-N 1 2 362.817 3.310 20 5 FGBDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000932651161 761208764 /nfs/dbraw/zinc/20/87/64/761208764.db2.gz YGTUDHSWBOSASN-UHFFFAOYSA-N 1 2 360.332 3.302 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000107654026 222399469 /nfs/dbraw/zinc/39/94/69/222399469.db2.gz QBLAPKDWBGRJRR-UHFFFAOYSA-N 1 2 362.817 3.419 20 5 FGBDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080760491 493774568 /nfs/dbraw/zinc/77/45/68/493774568.db2.gz JUOPFTXBFHLDOY-UHFFFAOYSA-N 1 2 355.354 3.434 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccc(O)c1 ZINC000080923107 493792157 /nfs/dbraw/zinc/79/21/57/493792157.db2.gz LNCDZDLLOAOPAT-NSHDSACASA-N 1 2 363.801 3.413 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923107 493792158 /nfs/dbraw/zinc/79/21/58/493792158.db2.gz LNCDZDLLOAOPAT-NSHDSACASA-N 1 2 363.801 3.413 20 5 FGBDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 ZINC000028623490 493794746 /nfs/dbraw/zinc/79/47/46/493794746.db2.gz HKBSURHJGWRXFC-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000058398597 493849690 /nfs/dbraw/zinc/84/96/90/493849690.db2.gz UHOYVCUAIJIMME-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000058615995 493870516 /nfs/dbraw/zinc/87/05/16/493870516.db2.gz SNGWHODOTGFVDD-VQIMIIECSA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000058615995 493870520 /nfs/dbraw/zinc/87/05/20/493870520.db2.gz SNGWHODOTGFVDD-VQIMIIECSA-N 1 2 369.421 3.040 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051321573 493961523 /nfs/dbraw/zinc/96/15/23/493961523.db2.gz FPDYMBWOAPXERA-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051321573 493961528 /nfs/dbraw/zinc/96/15/28/493961528.db2.gz FPDYMBWOAPXERA-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000081929117 493966938 /nfs/dbraw/zinc/96/69/38/493966938.db2.gz SUPOYHRZRHEQMR-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000032775911 494014763 /nfs/dbraw/zinc/01/47/63/494014763.db2.gz XNTQTBUZYVVDPZ-MRXNPFEDSA-N 1 2 372.377 3.223 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000052779868 494061158 /nfs/dbraw/zinc/06/11/58/494061158.db2.gz YMXBPHNPHQPUKE-MRXNPFEDSA-N 1 2 353.422 3.043 20 5 FGBDLO C[C@H](CCc1ccco1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052841256 494067191 /nfs/dbraw/zinc/06/71/91/494067191.db2.gz FZEADGKDUIYADP-CYBMUJFWSA-N 1 2 354.366 3.125 20 5 FGBDLO CNC(=O)c1ccc(NCCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])c1 ZINC000053551049 494146739 /nfs/dbraw/zinc/14/67/39/494146739.db2.gz XHIOTFQRHHWWSB-UHFFFAOYSA-N 1 2 367.409 3.115 20 5 FGBDLO CN(C(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000053844434 494171891 /nfs/dbraw/zinc/17/18/91/494171891.db2.gz AEUXBXNBWATLTE-UHFFFAOYSA-N 1 2 367.405 3.053 20 5 FGBDLO CN(C(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000053844434 494171895 /nfs/dbraw/zinc/17/18/95/494171895.db2.gz AEUXBXNBWATLTE-UHFFFAOYSA-N 1 2 367.405 3.053 20 5 FGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1(c2ccccc2)CCC1 ZINC000088605729 494253238 /nfs/dbraw/zinc/25/32/38/494253238.db2.gz APTUUJXMIDLUPM-UHFFFAOYSA-N 1 2 365.433 3.149 20 5 FGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1(c2ccccc2)CCC1 ZINC000088605729 494253239 /nfs/dbraw/zinc/25/32/39/494253239.db2.gz APTUUJXMIDLUPM-UHFFFAOYSA-N 1 2 365.433 3.149 20 5 FGBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072836556 494261910 /nfs/dbraw/zinc/26/19/10/494261910.db2.gz PZLBXARSTTZQES-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072836556 494261913 /nfs/dbraw/zinc/26/19/13/494261913.db2.gz PZLBXARSTTZQES-AWEZNQCLSA-N 1 2 357.863 3.260 20 5 FGBDLO Cc1c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000043347842 494290315 /nfs/dbraw/zinc/29/03/15/494290315.db2.gz AVHONQNWLOHHBD-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC ZINC000055229788 494316921 /nfs/dbraw/zinc/31/69/21/494316921.db2.gz KSGSYRNAPSDFQP-UHFFFAOYSA-N 1 2 370.365 3.439 20 5 FGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1OC ZINC000055229788 494316924 /nfs/dbraw/zinc/31/69/24/494316924.db2.gz KSGSYRNAPSDFQP-UHFFFAOYSA-N 1 2 370.365 3.439 20 5 FGBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345083 494349333 /nfs/dbraw/zinc/34/93/33/494349333.db2.gz YCESISHMVFYGQK-UHFFFAOYSA-N 1 2 371.462 3.031 20 5 FGBDLO CC[N@H+](CCCNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000045126796 494399651 /nfs/dbraw/zinc/39/96/51/494399651.db2.gz MQMNJPNZBLAQQZ-UHFFFAOYSA-N 1 2 356.426 3.311 20 5 FGBDLO CC[N@@H+](CCCNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000045126796 494399656 /nfs/dbraw/zinc/39/96/56/494399656.db2.gz MQMNJPNZBLAQQZ-UHFFFAOYSA-N 1 2 356.426 3.311 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000017046730 494405790 /nfs/dbraw/zinc/40/57/90/494405790.db2.gz NCNJRJUFNXFAQE-LLVKDONJSA-N 1 2 372.406 3.370 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067163800 494487678 /nfs/dbraw/zinc/48/76/78/494487678.db2.gz ZCRKBTWKBGWMTQ-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376365 494525840 /nfs/dbraw/zinc/52/58/40/494525840.db2.gz GFKVQWROOURFKU-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376365 494525842 /nfs/dbraw/zinc/52/58/42/494525842.db2.gz GFKVQWROOURFKU-KRWDZBQOSA-N 1 2 361.348 3.110 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599506 494540216 /nfs/dbraw/zinc/54/02/16/494540216.db2.gz USWGNBPNGDECHE-MRXNPFEDSA-N 1 2 355.438 3.082 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599506 494540220 /nfs/dbraw/zinc/54/02/20/494540220.db2.gz USWGNBPNGDECHE-MRXNPFEDSA-N 1 2 355.438 3.082 20 5 FGBDLO COc1ccccc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000023815518 494586451 /nfs/dbraw/zinc/58/64/51/494586451.db2.gz WTFOISAYZXXYJJ-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000023815518 494586456 /nfs/dbraw/zinc/58/64/56/494586456.db2.gz WTFOISAYZXXYJJ-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131607159 494672853 /nfs/dbraw/zinc/67/28/53/494672853.db2.gz JAAHLYJJBWSCOT-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131607159 494672858 /nfs/dbraw/zinc/67/28/58/494672858.db2.gz JAAHLYJJBWSCOT-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000092601371 494683770 /nfs/dbraw/zinc/68/37/70/494683770.db2.gz VSVIBINYMDVWBP-MLGOLLRUSA-N 1 2 356.426 3.440 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000126341408 494718052 /nfs/dbraw/zinc/71/80/52/494718052.db2.gz MGFPLBHZDWHWOU-UHFFFAOYSA-N 1 2 364.405 3.097 20 5 FGBDLO CN(C(=O)C[N@H+]1CCc2c3ccccc3[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000126341408 494718063 /nfs/dbraw/zinc/71/80/63/494718063.db2.gz MGFPLBHZDWHWOU-UHFFFAOYSA-N 1 2 364.405 3.097 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091927234 494725711 /nfs/dbraw/zinc/72/57/11/494725711.db2.gz HCXVMDYYRYQGQA-OALUTQOASA-N 1 2 358.394 3.235 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091927234 494725715 /nfs/dbraw/zinc/72/57/15/494725715.db2.gz HCXVMDYYRYQGQA-OALUTQOASA-N 1 2 358.394 3.235 20 5 FGBDLO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3Br)[nH+]c12 ZINC000092826054 494767926 /nfs/dbraw/zinc/76/79/26/494767926.db2.gz BMOOMJYUEKPIND-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1ccccc1OCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929921 494791153 /nfs/dbraw/zinc/79/11/53/494791153.db2.gz DBZVIPCASDUBFE-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO Cc1ccccc1OCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025929921 494791155 /nfs/dbraw/zinc/79/11/55/494791155.db2.gz DBZVIPCASDUBFE-UHFFFAOYSA-N 1 2 368.393 3.464 20 5 FGBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026332698 494818770 /nfs/dbraw/zinc/81/87/70/494818770.db2.gz LOSCUZOGCJLCEM-ZDUSSCGKSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026332698 494818774 /nfs/dbraw/zinc/81/87/74/494818774.db2.gz LOSCUZOGCJLCEM-ZDUSSCGKSA-N 1 2 368.792 3.259 20 5 FGBDLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000026349907 494822088 /nfs/dbraw/zinc/82/20/88/494822088.db2.gz DHVFZHLPGOQIKK-FQEVSTJZSA-N 1 2 353.422 3.294 20 5 FGBDLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000026349907 494822092 /nfs/dbraw/zinc/82/20/92/494822092.db2.gz DHVFZHLPGOQIKK-FQEVSTJZSA-N 1 2 353.422 3.294 20 5 FGBDLO Cc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000121761364 494855165 /nfs/dbraw/zinc/85/51/65/494855165.db2.gz WEOPGIVZCCUBIC-GOSISDBHSA-N 1 2 356.426 3.092 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000121987701 494904014 /nfs/dbraw/zinc/90/40/14/494904014.db2.gz NHKDRZWSPVAQBT-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO CCc1nn(C)c(NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1[N+](=O)[O-] ZINC000094137531 494953750 /nfs/dbraw/zinc/95/37/50/494953750.db2.gz FBTMVZLGQRZLTD-UHFFFAOYSA-N 1 2 358.446 3.134 20 5 FGBDLO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000123000798 495065371 /nfs/dbraw/zinc/06/53/71/495065371.db2.gz NFCMTOMHOUUYDJ-MAUKXSAKSA-N 1 2 371.441 3.093 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119876609 495260090 /nfs/dbraw/zinc/26/00/90/495260090.db2.gz XVGKITNWIDWMLV-OAHLLOKOSA-N 1 2 371.441 3.432 20 5 FGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000120142434 495315664 /nfs/dbraw/zinc/31/56/64/495315664.db2.gz ZMYZPBUCRFHCCC-UHFFFAOYSA-N 1 2 351.790 3.085 20 5 FGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000120142434 495315666 /nfs/dbraw/zinc/31/56/66/495315666.db2.gz ZMYZPBUCRFHCCC-UHFFFAOYSA-N 1 2 351.790 3.085 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000113941416 495337908 /nfs/dbraw/zinc/33/79/08/495337908.db2.gz AMNAXGUQRBLELY-ZDUSSCGKSA-N 1 2 374.384 3.452 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000113941416 495337910 /nfs/dbraw/zinc/33/79/10/495337910.db2.gz AMNAXGUQRBLELY-ZDUSSCGKSA-N 1 2 374.384 3.452 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120700316 495437423 /nfs/dbraw/zinc/43/74/23/495437423.db2.gz JCHLSYPOPCMMLB-LBPRGKRZSA-N 1 2 362.817 3.077 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000120703672 495438738 /nfs/dbraw/zinc/43/87/38/495438738.db2.gz OZHZQMBBEQAEME-UHFFFAOYSA-N 1 2 366.171 3.322 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000140219976 495490604 /nfs/dbraw/zinc/49/06/04/495490604.db2.gz HXKAOUQKSLWGIA-IBGZPJMESA-N 1 2 366.421 3.024 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000140219976 495490607 /nfs/dbraw/zinc/49/06/07/495490607.db2.gz HXKAOUQKSLWGIA-IBGZPJMESA-N 1 2 366.421 3.024 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000140197187 495490867 /nfs/dbraw/zinc/49/08/67/495490867.db2.gz LTVULMHDPDROJQ-KRWDZBQOSA-N 1 2 370.409 3.082 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000140197187 495490871 /nfs/dbraw/zinc/49/08/71/495490871.db2.gz LTVULMHDPDROJQ-KRWDZBQOSA-N 1 2 370.409 3.082 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000141786370 495510735 /nfs/dbraw/zinc/51/07/35/495510735.db2.gz XCQBYPWLQRWGMG-SFHVURJKSA-N 1 2 374.393 3.236 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000141786370 495510738 /nfs/dbraw/zinc/51/07/38/495510738.db2.gz XCQBYPWLQRWGMG-SFHVURJKSA-N 1 2 374.393 3.236 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180240 495523299 /nfs/dbraw/zinc/52/32/99/495523299.db2.gz SCTJOQANNCSGFX-UHFFFAOYSA-N 1 2 368.437 3.229 20 5 FGBDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316619 495540711 /nfs/dbraw/zinc/54/07/11/495540711.db2.gz NKLHXHCSIRJQBI-UHFFFAOYSA-N 1 2 372.347 3.210 20 5 FGBDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316619 495540718 /nfs/dbraw/zinc/54/07/18/495540718.db2.gz NKLHXHCSIRJQBI-UHFFFAOYSA-N 1 2 372.347 3.210 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000179384883 495570206 /nfs/dbraw/zinc/57/02/06/495570206.db2.gz GMQRFVPMOSAMOU-UHFFFAOYSA-N 1 2 365.393 3.031 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154861022 495752514 /nfs/dbraw/zinc/75/25/14/495752514.db2.gz IQDSNYIUQCKGAU-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154861022 495752519 /nfs/dbraw/zinc/75/25/19/495752519.db2.gz IQDSNYIUQCKGAU-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154869879 495756032 /nfs/dbraw/zinc/75/60/32/495756032.db2.gz BCVCXTPLOKRDBK-AWEZNQCLSA-N 1 2 355.398 3.089 20 5 FGBDLO CSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000186056869 495838801 /nfs/dbraw/zinc/83/88/01/495838801.db2.gz QWUUWEGIBDHURT-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 ZINC000176985279 495870806 /nfs/dbraw/zinc/87/08/06/495870806.db2.gz JUHZPQASMOTNQJ-UHFFFAOYSA-N 1 2 357.366 3.385 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 ZINC000176985279 495870813 /nfs/dbraw/zinc/87/08/13/495870813.db2.gz JUHZPQASMOTNQJ-UHFFFAOYSA-N 1 2 357.366 3.385 20 5 FGBDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000186432924 495995989 /nfs/dbraw/zinc/99/59/89/495995989.db2.gz HVKAEOOXMQOQIY-CYBMUJFWSA-N 1 2 353.382 3.143 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174893579 496152624 /nfs/dbraw/zinc/15/26/24/496152624.db2.gz LEOUXWYCRDOBNC-UHFFFAOYSA-N 1 2 368.437 3.369 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174904289 496157412 /nfs/dbraw/zinc/15/74/12/496157412.db2.gz HSBUIRIWEQFKER-UHFFFAOYSA-N 1 2 368.437 3.369 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172229284 496218255 /nfs/dbraw/zinc/21/82/55/496218255.db2.gz KVABBSGORPUURD-UHFFFAOYSA-N 1 2 364.789 3.117 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000175260067 496311984 /nfs/dbraw/zinc/31/19/84/496311984.db2.gz XREJJTCVRCUESX-INIZCTEOSA-N 1 2 370.453 3.267 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178190718 496362452 /nfs/dbraw/zinc/36/24/52/496362452.db2.gz MIORZPBSUFISGE-UHFFFAOYSA-N 1 2 358.379 3.094 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000153144667 496366025 /nfs/dbraw/zinc/36/60/25/496366025.db2.gz XVRRNAFLNFXMKM-UHFFFAOYSA-N 1 2 358.785 3.145 20 5 FGBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000184607089 496462608 /nfs/dbraw/zinc/46/26/08/496462608.db2.gz OCQDXIJHHKACAI-YGRLFVJLSA-N 1 2 367.789 3.146 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000153523227 496484240 /nfs/dbraw/zinc/48/42/40/496484240.db2.gz JASTXVMHDZUEAE-ZDUSSCGKSA-N 1 2 368.846 3.190 20 5 FGBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000187590156 496501474 /nfs/dbraw/zinc/50/14/74/496501474.db2.gz QYUVCMHHYMBRDB-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184719905 496506985 /nfs/dbraw/zinc/50/69/85/496506985.db2.gz FYDDEMNRVBXOHC-HIFRSBDPSA-N 1 2 361.398 3.109 20 5 FGBDLO COc1cc(C[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000181804821 496552177 /nfs/dbraw/zinc/55/21/77/496552177.db2.gz NUURXCPMENHUPO-LLVKDONJSA-N 1 2 367.352 3.493 20 5 FGBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182170812 496695762 /nfs/dbraw/zinc/69/57/62/496695762.db2.gz SGFBWQAJESQFRC-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182170812 496695766 /nfs/dbraw/zinc/69/57/66/496695766.db2.gz SGFBWQAJESQFRC-QGZVFWFLSA-N 1 2 350.802 3.422 20 5 FGBDLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222552 496712906 /nfs/dbraw/zinc/71/29/06/496712906.db2.gz CPVSCVFLFRGSJL-LBPRGKRZSA-N 1 2 354.453 3.123 20 5 FGBDLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222552 496712912 /nfs/dbraw/zinc/71/29/12/496712912.db2.gz CPVSCVFLFRGSJL-LBPRGKRZSA-N 1 2 354.453 3.123 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000188208661 496716720 /nfs/dbraw/zinc/71/67/20/496716720.db2.gz YIQDOSBRUYVWIB-JSGCOSHPSA-N 1 2 360.439 3.237 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277668116 496847382 /nfs/dbraw/zinc/84/73/82/496847382.db2.gz FLJKGVGHFLQHID-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277668116 496847378 /nfs/dbraw/zinc/84/73/78/496847378.db2.gz FLJKGVGHFLQHID-RNCFNFMXSA-N 1 2 352.740 3.383 20 5 FGBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191669795 496851072 /nfs/dbraw/zinc/85/10/72/496851072.db2.gz YRNXQBUIWRXYQM-GOSISDBHSA-N 1 2 369.421 3.041 20 5 FGBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191669795 496851076 /nfs/dbraw/zinc/85/10/76/496851076.db2.gz YRNXQBUIWRXYQM-GOSISDBHSA-N 1 2 369.421 3.041 20 5 FGBDLO CN(C)c1ccc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000195356290 496899978 /nfs/dbraw/zinc/89/99/78/496899978.db2.gz UBOKFAZKNGTARD-UHFFFAOYSA-N 1 2 366.377 3.227 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277843461 496907630 /nfs/dbraw/zinc/90/76/30/496907630.db2.gz SIAYJYIEJFLRBT-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277843461 496907634 /nfs/dbraw/zinc/90/76/34/496907634.db2.gz SIAYJYIEJFLRBT-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277990803 496963069 /nfs/dbraw/zinc/96/30/69/496963069.db2.gz HXIKYHHXSUHSHY-HKFHSAMXSA-N 1 2 356.382 3.074 20 5 FGBDLO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277990803 496963074 /nfs/dbraw/zinc/96/30/74/496963074.db2.gz HXIKYHHXSUHSHY-HKFHSAMXSA-N 1 2 356.382 3.074 20 5 FGBDLO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000274104759 497016348 /nfs/dbraw/zinc/01/63/48/497016348.db2.gz VEMVBYPLLFDXPU-LBPRGKRZSA-N 1 2 360.439 3.356 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271006804 497244413 /nfs/dbraw/zinc/24/44/13/497244413.db2.gz OAAFUIOBPJIJNN-KRWDZBQOSA-N 1 2 374.466 3.225 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271008181 497245566 /nfs/dbraw/zinc/24/55/66/497245566.db2.gz OAAFUIOBPJIJNN-QGZVFWFLSA-N 1 2 374.466 3.225 20 5 FGBDLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192989514 497268163 /nfs/dbraw/zinc/26/81/63/497268163.db2.gz BXBWVLJFXMIOGZ-UHFFFAOYSA-N 1 2 355.369 3.462 20 5 FGBDLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192989514 497268167 /nfs/dbraw/zinc/26/81/67/497268167.db2.gz BXBWVLJFXMIOGZ-UHFFFAOYSA-N 1 2 355.369 3.462 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189902714 497288099 /nfs/dbraw/zinc/28/80/99/497288099.db2.gz MLKFXHHWNQFPFQ-HWKANZROSA-N 1 2 353.426 3.031 20 5 FGBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000279151872 497349728 /nfs/dbraw/zinc/34/97/28/497349728.db2.gz HIJICCRCZNNKNC-GOSISDBHSA-N 1 2 368.437 3.493 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CCCC2 ZINC000279256501 497384150 /nfs/dbraw/zinc/38/41/50/497384150.db2.gz ULZBQBYKZUPXSK-CYBMUJFWSA-N 1 2 360.439 3.246 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000245555251 497453751 /nfs/dbraw/zinc/45/37/51/497453751.db2.gz IFCPLAVSULBLNH-IAGOWNOFSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000245555251 497453753 /nfs/dbraw/zinc/45/37/53/497453753.db2.gz IFCPLAVSULBLNH-IAGOWNOFSA-N 1 2 355.394 3.098 20 5 FGBDLO CCC[C@]1(COC)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193742734 497465688 /nfs/dbraw/zinc/46/56/88/497465688.db2.gz YYPQBYWKHUMMIC-LJQANCHMSA-N 1 2 372.425 3.202 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]2C1 ZINC000246195231 497655122 /nfs/dbraw/zinc/65/51/22/497655122.db2.gz DOAZMSHNDMTVBJ-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]2C1 ZINC000246195231 497655124 /nfs/dbraw/zinc/65/51/24/497655124.db2.gz DOAZMSHNDMTVBJ-KBMXLJTQSA-N 1 2 374.359 3.382 20 5 FGBDLO CC(C)Cn1cc(N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272574720 497667295 /nfs/dbraw/zinc/66/72/95/497667295.db2.gz WTCNAQGMZBUOFF-QGZVFWFLSA-N 1 2 354.414 3.382 20 5 FGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268226504 497705977 /nfs/dbraw/zinc/70/59/77/497705977.db2.gz DMVTZJQVXGCLQT-SMDDNHRTSA-N 1 2 352.341 3.480 20 5 FGBDLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268345683 497730998 /nfs/dbraw/zinc/73/09/98/497730998.db2.gz BXODKWFMBSOCLG-YOEHRIQHSA-N 1 2 356.426 3.179 20 5 FGBDLO Cc1csc(C2([NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)CCC2)n1 ZINC000263693961 497809083 /nfs/dbraw/zinc/80/90/83/497809083.db2.gz PMGPLJWEXJUPJV-UHFFFAOYSA-N 1 2 361.423 3.395 20 5 FGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000581213642 505934824 /nfs/dbraw/zinc/93/48/24/505934824.db2.gz POEVXUYVHQEFJX-UHFFFAOYSA-N 1 2 356.426 3.053 20 5 FGBDLO CCc1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]1 ZINC000296007863 497888735 /nfs/dbraw/zinc/88/87/35/497888735.db2.gz LIYYAAARVQBUOD-UHFFFAOYSA-N 1 2 361.789 3.479 20 5 FGBDLO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccsc1 ZINC000280833281 497916869 /nfs/dbraw/zinc/91/68/69/497916869.db2.gz TWFNXIHQCIXOPP-CQSZACIVSA-N 1 2 363.439 3.175 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nncn1C ZINC000285501616 498108529 /nfs/dbraw/zinc/10/85/29/498108529.db2.gz MUAGNIHQAXQDNB-QGZVFWFLSA-N 1 2 355.398 3.470 20 5 FGBDLO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000301451246 498116194 /nfs/dbraw/zinc/11/61/94/498116194.db2.gz UGVKJCFCBOBPJB-CYBMUJFWSA-N 1 2 362.380 3.460 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc1F ZINC000301450517 498116210 /nfs/dbraw/zinc/11/62/10/498116210.db2.gz SSTQEKQODGNVSA-UHFFFAOYSA-N 1 2 359.401 3.373 20 5 FGBDLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000569659186 505985782 /nfs/dbraw/zinc/98/57/82/505985782.db2.gz KHCYELAFLZMTQR-CYBMUJFWSA-N 1 2 368.368 3.340 20 5 FGBDLO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccccc3[nH+]2)c(Br)c1 ZINC000301534031 498152863 /nfs/dbraw/zinc/15/28/63/498152863.db2.gz MCCJUBLKAHTJCA-UHFFFAOYSA-N 1 2 362.187 3.283 20 5 FGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000281451041 498156788 /nfs/dbraw/zinc/15/67/88/498156788.db2.gz BKWHSLGDFHEFIM-QGZVFWFLSA-N 1 2 372.425 3.252 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000285797586 498204617 /nfs/dbraw/zinc/20/46/17/498204617.db2.gz YKUUJHWMWFZIML-LLVKDONJSA-N 1 2 363.368 3.179 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000285797586 498204610 /nfs/dbraw/zinc/20/46/10/498204610.db2.gz YKUUJHWMWFZIML-LLVKDONJSA-N 1 2 363.368 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC000301664557 498212269 /nfs/dbraw/zinc/21/22/69/498212269.db2.gz ZDORYGZUNCXNLY-ZDUSSCGKSA-N 1 2 351.309 3.249 20 5 FGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000578778975 506019086 /nfs/dbraw/zinc/01/90/86/506019086.db2.gz ZNMXJISSCQOPPT-YOEHRIQHSA-N 1 2 369.421 3.269 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000302174895 498427974 /nfs/dbraw/zinc/42/79/74/498427974.db2.gz WNAFZWSQKNESDQ-ZDUSSCGKSA-N 1 2 365.796 3.254 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000302174895 498427980 /nfs/dbraw/zinc/42/79/80/498427980.db2.gz WNAFZWSQKNESDQ-ZDUSSCGKSA-N 1 2 365.796 3.254 20 5 FGBDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2c1 ZINC000581856696 506074914 /nfs/dbraw/zinc/07/49/14/506074914.db2.gz JPKGNQZPBUTGLG-CQSZACIVSA-N 1 2 367.409 3.420 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000294540570 498724718 /nfs/dbraw/zinc/72/47/18/498724718.db2.gz IRYAKTBOEBSWFU-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000294540570 498724722 /nfs/dbraw/zinc/72/47/22/498724722.db2.gz IRYAKTBOEBSWFU-UHFFFAOYSA-N 1 2 360.435 3.163 20 5 FGBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000294775974 498801493 /nfs/dbraw/zinc/80/14/93/498801493.db2.gz RKOHILMBSFAQRE-INIZCTEOSA-N 1 2 366.381 3.075 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000298621610 498831854 /nfs/dbraw/zinc/83/18/54/498831854.db2.gz XLXHRFDVJWRMEA-UHFFFAOYSA-N 1 2 368.437 3.085 20 5 FGBDLO CCCc1[nH]nc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1[N+](=O)[O-] ZINC000366591887 498994265 /nfs/dbraw/zinc/99/42/65/498994265.db2.gz WJXOBJFDROOKKJ-UHFFFAOYSA-N 1 2 354.370 3.221 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000366996725 499131721 /nfs/dbraw/zinc/13/17/21/499131721.db2.gz OSVZJWJNYABCGA-HNNXBMFYSA-N 1 2 370.453 3.247 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000366996725 499131724 /nfs/dbraw/zinc/13/17/24/499131724.db2.gz OSVZJWJNYABCGA-HNNXBMFYSA-N 1 2 370.453 3.247 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC000370268987 499204332 /nfs/dbraw/zinc/20/43/32/499204332.db2.gz PKLSTASWFIYAOK-CYBMUJFWSA-N 1 2 353.382 3.035 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372163878 499404522 /nfs/dbraw/zinc/40/45/22/499404522.db2.gz JAHSLEZATWONDC-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372163878 499404524 /nfs/dbraw/zinc/40/45/24/499404524.db2.gz JAHSLEZATWONDC-UHFFFAOYSA-N 1 2 368.315 3.357 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378245181 499493919 /nfs/dbraw/zinc/49/39/19/499493919.db2.gz ZSGAFISYFLDTHQ-CQSZACIVSA-N 1 2 371.441 3.212 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465992 499522366 /nfs/dbraw/zinc/52/23/66/499522366.db2.gz APLKTNIAZXVOAJ-QZTJIDSGSA-N 1 2 370.405 3.425 20 5 FGBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375465992 499522367 /nfs/dbraw/zinc/52/23/67/499522367.db2.gz APLKTNIAZXVOAJ-QZTJIDSGSA-N 1 2 370.405 3.425 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000411450687 499742001 /nfs/dbraw/zinc/74/20/01/499742001.db2.gz UOCGJAHDWDRJIA-ZWKOTPCHSA-N 1 2 368.437 3.256 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000411993916 499811135 /nfs/dbraw/zinc/81/11/35/499811135.db2.gz YFTKUFMBSKQBMP-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000411993916 499811136 /nfs/dbraw/zinc/81/11/36/499811136.db2.gz YFTKUFMBSKQBMP-HXUWFJFHSA-N 1 2 368.389 3.213 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC3CCN(c4cccnn4)CC3)c2c1 ZINC000413273389 499935513 /nfs/dbraw/zinc/93/55/13/499935513.db2.gz ZDFXPAVJIDZFBX-UHFFFAOYSA-N 1 2 350.382 3.014 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCC4(CCOCC4)[C@H]3O)c2c1 ZINC000413297856 499938476 /nfs/dbraw/zinc/93/84/76/499938476.db2.gz RVEZEBBXHOIBCH-YOEHRIQHSA-N 1 2 357.410 3.123 20 5 FGBDLO COC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000413598801 500000586 /nfs/dbraw/zinc/00/05/86/500000586.db2.gz ZHBWJZQSJYBIGV-IBGZPJMESA-N 1 2 370.409 3.140 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](N[C@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417371469 500052069 /nfs/dbraw/zinc/05/20/69/500052069.db2.gz VOWYRRGAUJYJGV-OALUTQOASA-N 1 2 364.405 3.279 20 5 FGBDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000425515863 500130224 /nfs/dbraw/zinc/13/02/24/500130224.db2.gz UFIUZLQZNCXSIM-SFHVURJKSA-N 1 2 360.414 3.025 20 5 FGBDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000425515863 500130226 /nfs/dbraw/zinc/13/02/26/500130226.db2.gz UFIUZLQZNCXSIM-SFHVURJKSA-N 1 2 360.414 3.025 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000430201669 500207969 /nfs/dbraw/zinc/20/79/69/500207969.db2.gz DSFGHTHZUUKWJP-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(C)[nH+]1 ZINC000422197987 500232332 /nfs/dbraw/zinc/23/23/32/500232332.db2.gz BVPPVULBFCGCRW-UHFFFAOYSA-N 1 2 354.410 3.481 20 5 FGBDLO COC(=O)c1ccc(OCc2ccc(-n3cc[nH+]c3)cc2C)c([N+](=O)[O-])c1 ZINC000427279021 500376760 /nfs/dbraw/zinc/37/67/60/500376760.db2.gz BFQLMDUPHVMXNH-UHFFFAOYSA-N 1 2 367.361 3.455 20 5 FGBDLO CC1(C)C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433156372 500635898 /nfs/dbraw/zinc/63/58/98/500635898.db2.gz BBAWBSVJCAREFC-QGZVFWFLSA-N 1 2 364.409 3.083 20 5 FGBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1nccs1 ZINC000447818547 500669550 /nfs/dbraw/zinc/66/95/50/500669550.db2.gz XGDUDQXXCKZFTD-ZDUSSCGKSA-N 1 2 362.455 3.099 20 5 FGBDLO CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443122279 500683096 /nfs/dbraw/zinc/68/30/96/500683096.db2.gz YPXYBLASKQWRHN-HNNXBMFYSA-N 1 2 371.441 3.435 20 5 FGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653906 500873615 /nfs/dbraw/zinc/87/36/15/500873615.db2.gz VRALCBLVQJURAG-MZHQLVBMSA-N 1 2 372.450 3.402 20 5 FGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653906 500873616 /nfs/dbraw/zinc/87/36/16/500873616.db2.gz VRALCBLVQJURAG-MZHQLVBMSA-N 1 2 372.450 3.402 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000445170522 500951603 /nfs/dbraw/zinc/95/16/03/500951603.db2.gz CQWDWWZHRKYSEA-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000449361555 500987233 /nfs/dbraw/zinc/98/72/33/500987233.db2.gz KYQCEKQMSGZUFY-SNVBAGLBSA-N 1 2 370.137 3.333 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440488836 501014417 /nfs/dbraw/zinc/01/44/17/501014417.db2.gz RWUZOEUGDOHRMN-CQSZACIVSA-N 1 2 371.441 3.276 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440488836 501014419 /nfs/dbraw/zinc/01/44/19/501014419.db2.gz RWUZOEUGDOHRMN-CQSZACIVSA-N 1 2 371.441 3.276 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506664 501020539 /nfs/dbraw/zinc/02/05/39/501020539.db2.gz ZGMNUWKDSDXTRH-QGZVFWFLSA-N 1 2 374.462 3.378 20 5 FGBDLO CS(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506664 501020540 /nfs/dbraw/zinc/02/05/40/501020540.db2.gz ZGMNUWKDSDXTRH-QGZVFWFLSA-N 1 2 374.462 3.378 20 5 FGBDLO CN(C)c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c[nH+]1 ZINC000436112638 501072468 /nfs/dbraw/zinc/07/24/68/501072468.db2.gz SCEMMGAGNBSYGS-UHFFFAOYSA-N 1 2 372.428 3.072 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCC1CCOCC1 ZINC000450562596 501155704 /nfs/dbraw/zinc/15/57/04/501155704.db2.gz WDAYGCISFOPCGH-UHFFFAOYSA-N 1 2 363.458 3.046 20 5 FGBDLO CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450039385 501161134 /nfs/dbraw/zinc/16/11/34/501161134.db2.gz MJXQNUZDGHAOMH-CZUORRHYSA-N 1 2 360.439 3.185 20 5 FGBDLO C[C@@H]1CCc2nc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2C1 ZINC000446847366 501173389 /nfs/dbraw/zinc/17/33/89/501173389.db2.gz LVEWHBHIVOCMCT-SNVBAGLBSA-N 1 2 357.439 3.342 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436869675 501224422 /nfs/dbraw/zinc/22/44/22/501224422.db2.gz KDTHLUNVNAHFCE-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436869675 501224423 /nfs/dbraw/zinc/22/44/23/501224423.db2.gz KDTHLUNVNAHFCE-GDBMZVCRSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894006 501228775 /nfs/dbraw/zinc/22/87/75/501228775.db2.gz REQDPNROKMPTAF-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894006 501228778 /nfs/dbraw/zinc/22/87/78/501228778.db2.gz REQDPNROKMPTAF-GJZGRUSLSA-N 1 2 369.421 3.035 20 5 FGBDLO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000451079926 501243856 /nfs/dbraw/zinc/24/38/56/501243856.db2.gz BKDYZNUEFBYUBH-CYBMUJFWSA-N 1 2 367.452 3.006 20 5 FGBDLO CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451525236 501312906 /nfs/dbraw/zinc/31/29/06/501312906.db2.gz FVHJZGWOLRZUEJ-XHBSWPGZSA-N 1 2 369.849 3.322 20 5 FGBDLO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451525236 501312907 /nfs/dbraw/zinc/31/29/07/501312907.db2.gz FVHJZGWOLRZUEJ-XHBSWPGZSA-N 1 2 369.849 3.322 20 5 FGBDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546833 501319121 /nfs/dbraw/zinc/31/91/21/501319121.db2.gz KAFDHFQOGOUNEP-HIFRSBDPSA-N 1 2 358.398 3.098 20 5 FGBDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546833 501319123 /nfs/dbraw/zinc/31/91/23/501319123.db2.gz KAFDHFQOGOUNEP-HIFRSBDPSA-N 1 2 358.398 3.098 20 5 FGBDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550798 501321251 /nfs/dbraw/zinc/32/12/51/501321251.db2.gz RYRJPIKTSVTKRB-TZMCWYRMSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550798 501321253 /nfs/dbraw/zinc/32/12/53/501321253.db2.gz RYRJPIKTSVTKRB-TZMCWYRMSA-N 1 2 360.439 3.258 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@H]2CC(=O)N(CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453375551 501321703 /nfs/dbraw/zinc/32/17/03/501321703.db2.gz XDSVODHGKYAVSE-IFXJQAMLSA-N 1 2 357.410 3.050 20 5 FGBDLO O=[N+]([O-])c1sc(C[NH2+]Cc2cnc3n2CCCC3)cc1Br ZINC000602653099 506248590 /nfs/dbraw/zinc/24/85/90/506248590.db2.gz MIPPBBSQRKPIDH-UHFFFAOYSA-N 1 2 371.260 3.241 20 5 FGBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2nccn21 ZINC000602682538 506260406 /nfs/dbraw/zinc/26/04/06/506260406.db2.gz LZHRVXHQRKBDCI-OIBJUYFYSA-N 1 2 357.233 3.411 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2[nH+]ccn21 ZINC000459111056 501595701 /nfs/dbraw/zinc/59/57/01/501595701.db2.gz LTMIVQLDEFONRB-WBMJQRKESA-N 1 2 355.398 3.171 20 5 FGBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000481777059 501880737 /nfs/dbraw/zinc/88/07/37/501880737.db2.gz IWEFCEJKVRPOOD-CQSZACIVSA-N 1 2 360.414 3.173 20 5 FGBDLO O=C(Nc1ccc(CO)c(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000474610986 501892645 /nfs/dbraw/zinc/89/26/45/501892645.db2.gz FQKFTWLYCSUENY-UHFFFAOYSA-N 1 2 372.768 3.179 20 5 FGBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000481863034 501901916 /nfs/dbraw/zinc/90/19/16/501901916.db2.gz IAFDZXBHHOTQJX-UHFFFAOYSA-N 1 2 373.756 3.421 20 5 FGBDLO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471370605 502001273 /nfs/dbraw/zinc/00/12/73/502001273.db2.gz WPFOVUQVJSRHQP-LJQANCHMSA-N 1 2 353.422 3.286 20 5 FGBDLO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471370605 502001280 /nfs/dbraw/zinc/00/12/80/502001280.db2.gz WPFOVUQVJSRHQP-LJQANCHMSA-N 1 2 353.422 3.286 20 5 FGBDLO CCCC(=O)NC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038050 506288382 /nfs/dbraw/zinc/28/83/82/506288382.db2.gz MEZLHVOFUZXGLK-CQSZACIVSA-N 1 2 356.426 3.276 20 5 FGBDLO CC(C)C(=O)NC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038397 506289096 /nfs/dbraw/zinc/28/90/96/506289096.db2.gz PXIXMVAUETUGJP-AWEZNQCLSA-N 1 2 356.426 3.132 20 5 FGBDLO CSc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000486209759 502083946 /nfs/dbraw/zinc/08/39/46/502083946.db2.gz JYXWLXVQVGNIJO-UHFFFAOYSA-N 1 2 368.418 3.432 20 5 FGBDLO COC(=O)c1cc(NCc2cn3c(cccc3C)[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000486231630 502091838 /nfs/dbraw/zinc/09/18/38/502091838.db2.gz PIXPVBZEHKCUAX-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000464857442 502124015 /nfs/dbraw/zinc/12/40/15/502124015.db2.gz SXEGPJWQBQQBTA-UHFFFAOYSA-N 1 2 369.849 3.468 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479129389 502172270 /nfs/dbraw/zinc/17/22/70/502172270.db2.gz PMZZVDXICRAMDG-GDBMZVCRSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479129389 502172275 /nfs/dbraw/zinc/17/22/75/502172275.db2.gz PMZZVDXICRAMDG-GDBMZVCRSA-N 1 2 369.421 3.247 20 5 FGBDLO COc1ccccc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472031227 502204701 /nfs/dbraw/zinc/20/47/01/502204701.db2.gz AQQGGMOKMKHLML-UHFFFAOYSA-N 1 2 371.437 3.090 20 5 FGBDLO COc1ccc(OC)c(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602789725 506299818 /nfs/dbraw/zinc/29/98/18/506299818.db2.gz ZMCUFZYYCDDKJC-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO COc1ccc(OC)c(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602789725 506299825 /nfs/dbraw/zinc/29/98/25/506299825.db2.gz ZMCUFZYYCDDKJC-UHFFFAOYSA-N 1 2 362.430 3.146 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]1Cc1ccccc1 ZINC000472175238 502258585 /nfs/dbraw/zinc/25/85/85/502258585.db2.gz RMVBTBHVNAPCIM-KRWDZBQOSA-N 1 2 362.389 3.238 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000472347280 502323633 /nfs/dbraw/zinc/32/36/33/502323633.db2.gz FVYWGXBDZJJQQD-INIZCTEOSA-N 1 2 356.426 3.407 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472347280 502323637 /nfs/dbraw/zinc/32/36/37/502323637.db2.gz FVYWGXBDZJJQQD-INIZCTEOSA-N 1 2 356.426 3.407 20 5 FGBDLO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000483343687 502357293 /nfs/dbraw/zinc/35/72/93/502357293.db2.gz PFMSCTULPYXZTE-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000483343687 502357296 /nfs/dbraw/zinc/35/72/96/502357296.db2.gz PFMSCTULPYXZTE-QGZVFWFLSA-N 1 2 354.834 3.408 20 5 FGBDLO Cc1ccc([C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000469623900 502484156 /nfs/dbraw/zinc/48/41/56/502484156.db2.gz WONXRVSVJZIAIR-LJQANCHMSA-N 1 2 369.421 3.176 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000599084453 506316148 /nfs/dbraw/zinc/31/61/48/506316148.db2.gz XTYKXSHHFLWYDE-YLJYHZDGSA-N 1 2 367.380 3.447 20 5 FGBDLO Cc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480394201 502556518 /nfs/dbraw/zinc/55/65/18/502556518.db2.gz NRCFNTFPWHADBV-CXAGYDPISA-N 1 2 354.410 3.364 20 5 FGBDLO O=c1c2ccccc2n(Cc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000487911546 502564797 /nfs/dbraw/zinc/56/47/97/502564797.db2.gz MMZSWSZEJJHHFK-UHFFFAOYSA-N 1 2 360.373 3.203 20 5 FGBDLO CNc1c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000463000121 502655417 /nfs/dbraw/zinc/65/54/17/502655417.db2.gz CXTAURNNVMOQLS-ZDUSSCGKSA-N 1 2 365.393 3.313 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ncccc2F)CC1 ZINC000470174591 502694967 /nfs/dbraw/zinc/69/49/67/502694967.db2.gz UHJHAYLSHYATLW-NTCAYCPXSA-N 1 2 356.401 3.354 20 5 FGBDLO COCC[C@@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000466847370 502701756 /nfs/dbraw/zinc/70/17/56/502701756.db2.gz FRRUSLQJCBNKMW-HNNXBMFYSA-N 1 2 372.425 3.059 20 5 FGBDLO Cc1c(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000488671481 502778013 /nfs/dbraw/zinc/77/80/13/502778013.db2.gz PAKYCBSHZXGCLE-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1c(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000488671481 502778020 /nfs/dbraw/zinc/77/80/20/502778020.db2.gz PAKYCBSHZXGCLE-SFHVURJKSA-N 1 2 357.385 3.280 20 5 FGBDLO CC[N@H+](CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593017524 506337639 /nfs/dbraw/zinc/33/76/39/506337639.db2.gz BJJWNOGIBIFTNV-UHFFFAOYSA-N 1 2 359.401 3.309 20 5 FGBDLO CC[N@@H+](CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593017524 506337646 /nfs/dbraw/zinc/33/76/46/506337646.db2.gz BJJWNOGIBIFTNV-UHFFFAOYSA-N 1 2 359.401 3.309 20 5 FGBDLO CCCCCNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509296228 502869809 /nfs/dbraw/zinc/86/98/09/502869809.db2.gz YFVJQDUVCYFVNY-UHFFFAOYSA-N 1 2 369.412 3.391 20 5 FGBDLO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000509483741 502914527 /nfs/dbraw/zinc/91/45/27/502914527.db2.gz MKCBACJMOWIPJX-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000509483741 502914531 /nfs/dbraw/zinc/91/45/31/502914531.db2.gz MKCBACJMOWIPJX-NSHDSACASA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000509483740 502914822 /nfs/dbraw/zinc/91/48/22/502914822.db2.gz MKCBACJMOWIPJX-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000509483740 502914825 /nfs/dbraw/zinc/91/48/25/502914825.db2.gz MKCBACJMOWIPJX-LLVKDONJSA-N 1 2 365.231 3.173 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000593023937 506342804 /nfs/dbraw/zinc/34/28/04/506342804.db2.gz HJEBKPOGYMYCKD-UHFFFAOYSA-N 1 2 361.423 3.315 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505603757 502947155 /nfs/dbraw/zinc/94/71/55/502947155.db2.gz AXLFYHJOMCHSSG-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505603757 502947159 /nfs/dbraw/zinc/94/71/59/502947159.db2.gz AXLFYHJOMCHSSG-UHFFFAOYSA-N 1 2 371.412 3.390 20 5 FGBDLO Cc1c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000513989772 503062340 /nfs/dbraw/zinc/06/23/40/503062340.db2.gz OKWGHEHRQAOGPN-INIZCTEOSA-N 1 2 359.813 3.343 20 5 FGBDLO COc1ccc(-c2ccc(C[NH+]3CCN(C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000506439819 503115819 /nfs/dbraw/zinc/11/58/19/503115819.db2.gz RCPNKDMIQCZYMD-UHFFFAOYSA-N 1 2 357.410 3.143 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1c(F)cccc1F ZINC000490177298 503123386 /nfs/dbraw/zinc/12/33/86/503123386.db2.gz XSLCVCWZIPLSJN-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1c(F)cccc1F ZINC000490177298 503123393 /nfs/dbraw/zinc/12/33/93/503123393.db2.gz XSLCVCWZIPLSJN-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492648665 503379080 /nfs/dbraw/zinc/37/90/80/503379080.db2.gz GQBBFYJGYZNRJG-HNNXBMFYSA-N 1 2 350.415 3.300 20 5 FGBDLO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492648665 503379083 /nfs/dbraw/zinc/37/90/83/503379083.db2.gz GQBBFYJGYZNRJG-HNNXBMFYSA-N 1 2 350.415 3.300 20 5 FGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000515995686 503430480 /nfs/dbraw/zinc/43/04/80/503430480.db2.gz FAOSYYYZZSCYJG-UHFFFAOYSA-N 1 2 365.393 3.385 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000582704961 506374572 /nfs/dbraw/zinc/37/45/72/506374572.db2.gz UYJLFWQZUIUCHP-UHFFFAOYSA-N 1 2 352.394 3.428 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000582704961 506374581 /nfs/dbraw/zinc/37/45/81/506374581.db2.gz UYJLFWQZUIUCHP-UHFFFAOYSA-N 1 2 352.394 3.428 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499942993 503516916 /nfs/dbraw/zinc/51/69/16/503516916.db2.gz ZFHJZTFXAGBBQZ-CQSZACIVSA-N 1 2 354.765 3.219 20 5 FGBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000504745960 503611801 /nfs/dbraw/zinc/61/18/01/503611801.db2.gz RGIHGAGCUPWBJH-UHFFFAOYSA-N 1 2 373.756 3.271 20 5 FGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000536671365 503671673 /nfs/dbraw/zinc/67/16/73/503671673.db2.gz FKECSZWTKXBQFH-YVMONPNESA-N 1 2 351.366 3.185 20 5 FGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000536671365 503671682 /nfs/dbraw/zinc/67/16/82/503671682.db2.gz FKECSZWTKXBQFH-YVMONPNESA-N 1 2 351.366 3.185 20 5 FGBDLO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1c(C)nn(C)c1C ZINC000543450805 503775384 /nfs/dbraw/zinc/77/53/84/503775384.db2.gz ZGRKSHNYKQCTBC-HNNXBMFYSA-N 1 2 370.413 3.236 20 5 FGBDLO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296059 503797933 /nfs/dbraw/zinc/79/79/33/503797933.db2.gz UFYYYDLDQAISQF-NXEZZACHSA-N 1 2 356.220 3.026 20 5 FGBDLO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533296059 503797934 /nfs/dbraw/zinc/79/79/34/503797934.db2.gz UFYYYDLDQAISQF-NXEZZACHSA-N 1 2 356.220 3.026 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000540600924 503829044 /nfs/dbraw/zinc/82/90/44/503829044.db2.gz DIVMIWHXFWBLQW-UHFFFAOYSA-N 1 2 366.377 3.497 20 5 FGBDLO Cc1cccn2cc(Cc3noc(-c4ccc(F)cc4[N+](=O)[O-])n3)[nH+]c12 ZINC000547092995 503980731 /nfs/dbraw/zinc/98/07/31/503980731.db2.gz ISVAMZNHINQDEE-UHFFFAOYSA-N 1 2 353.313 3.331 20 5 FGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000538653912 504316425 /nfs/dbraw/zinc/31/64/25/504316425.db2.gz YVYOWLBHIJWCJE-UHFFFAOYSA-N 1 2 350.378 3.234 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000542014120 504336310 /nfs/dbraw/zinc/33/63/10/504336310.db2.gz WTLZWXHBVVTMHL-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000542014120 504336312 /nfs/dbraw/zinc/33/63/12/504336312.db2.gz WTLZWXHBVVTMHL-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000542043390 504347063 /nfs/dbraw/zinc/34/70/63/504347063.db2.gz XRPCFSFEAUAGHI-UHFFFAOYSA-N 1 2 352.350 3.384 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000535515984 504457517 /nfs/dbraw/zinc/45/75/17/504457517.db2.gz HVMSNQMKFRLBTJ-CQSZACIVSA-N 1 2 373.384 3.290 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000535515984 504457519 /nfs/dbraw/zinc/45/75/19/504457519.db2.gz HVMSNQMKFRLBTJ-CQSZACIVSA-N 1 2 373.384 3.290 20 5 FGBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000546029581 504680341 /nfs/dbraw/zinc/68/03/41/504680341.db2.gz RUNTYGDHULILEE-SFHVURJKSA-N 1 2 360.410 3.481 20 5 FGBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000546029581 504680344 /nfs/dbraw/zinc/68/03/44/504680344.db2.gz RUNTYGDHULILEE-SFHVURJKSA-N 1 2 360.410 3.481 20 5 FGBDLO CCc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000521345542 504714799 /nfs/dbraw/zinc/71/47/99/504714799.db2.gz HFXOHXZBEYVGID-UHFFFAOYSA-N 1 2 371.418 3.237 20 5 FGBDLO Cc1cn2cc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000549185402 504715612 /nfs/dbraw/zinc/71/56/12/504715612.db2.gz ORQMLXVXCYTWQP-UHFFFAOYSA-N 1 2 353.382 3.257 20 5 FGBDLO CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000546169434 504733228 /nfs/dbraw/zinc/73/32/28/504733228.db2.gz UIRNXXATYMQFST-NSHDSACASA-N 1 2 356.304 3.241 20 5 FGBDLO C[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000543126230 504735280 /nfs/dbraw/zinc/73/52/80/504735280.db2.gz RBXHTKLMQJTBFJ-KRWDZBQOSA-N 1 2 371.462 3.202 20 5 FGBDLO C[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000543126230 504735284 /nfs/dbraw/zinc/73/52/84/504735284.db2.gz RBXHTKLMQJTBFJ-KRWDZBQOSA-N 1 2 371.462 3.202 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000539971067 504750578 /nfs/dbraw/zinc/75/05/78/504750578.db2.gz IVCFBTVCKOMPFZ-KRWDZBQOSA-N 1 2 355.394 3.294 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000539971067 504750579 /nfs/dbraw/zinc/75/05/79/504750579.db2.gz IVCFBTVCKOMPFZ-KRWDZBQOSA-N 1 2 355.394 3.294 20 5 FGBDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000562395252 504805513 /nfs/dbraw/zinc/80/55/13/504805513.db2.gz VXMQIZCMQXAYIH-RDTXWAMCSA-N 1 2 364.405 3.338 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559505194 504877769 /nfs/dbraw/zinc/87/77/69/504877769.db2.gz CGRQXNOABNLELJ-UHFFFAOYSA-N 1 2 364.405 3.092 20 5 FGBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549845610 504915462 /nfs/dbraw/zinc/91/54/62/504915462.db2.gz OQOLWBHOYDKSKH-AWEZNQCLSA-N 1 2 371.359 3.200 20 5 FGBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549845610 504915465 /nfs/dbraw/zinc/91/54/65/504915465.db2.gz OQOLWBHOYDKSKH-AWEZNQCLSA-N 1 2 371.359 3.200 20 5 FGBDLO Cc1c(Br)c(N[C@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000553602486 504960151 /nfs/dbraw/zinc/96/01/51/504960151.db2.gz XVOVUHIQFIRKTQ-LBPRGKRZSA-N 1 2 366.219 3.357 20 5 FGBDLO COc1cc(Cc2noc(CCc3c[nH+]cc(C)c3)n2)ccc1[N+](=O)[O-] ZINC000563496601 505156417 /nfs/dbraw/zinc/15/64/17/505156417.db2.gz UTXOJXPCHCNZLH-UHFFFAOYSA-N 1 2 354.366 3.066 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000557602064 505179646 /nfs/dbraw/zinc/17/96/46/505179646.db2.gz NIQIEQCYHMHHIW-UHFFFAOYSA-N 1 2 352.379 3.397 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000566611380 505222416 /nfs/dbraw/zinc/22/24/16/505222416.db2.gz IYOVXEVAODVTFD-LJQANCHMSA-N 1 2 364.405 3.238 20 5 FGBDLO COc1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc([N+](=O)[O-])c1C ZINC000554792560 505266175 /nfs/dbraw/zinc/26/61/75/505266175.db2.gz UJYIGNHDPNKXQE-UHFFFAOYSA-N 1 2 365.349 3.200 20 5 FGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000555943595 505544834 /nfs/dbraw/zinc/54/48/34/505544834.db2.gz RODXRIGEMLYYED-UHFFFAOYSA-N 1 2 361.423 3.121 20 5 FGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000555943595 505544836 /nfs/dbraw/zinc/54/48/36/505544836.db2.gz RODXRIGEMLYYED-UHFFFAOYSA-N 1 2 361.423 3.121 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118776 506404821 /nfs/dbraw/zinc/40/48/21/506404821.db2.gz RUERDWFDICCKAZ-OTYXRUKQSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118776 506404829 /nfs/dbraw/zinc/40/48/29/506404829.db2.gz RUERDWFDICCKAZ-OTYXRUKQSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589641 506476658 /nfs/dbraw/zinc/47/66/58/506476658.db2.gz ALNOYAPAUDLLAA-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589641 506476662 /nfs/dbraw/zinc/47/66/62/506476662.db2.gz ALNOYAPAUDLLAA-DYVFJYSZSA-N 1 2 354.410 3.400 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCO2 ZINC000589306921 506511362 /nfs/dbraw/zinc/51/13/62/506511362.db2.gz QNNAKKYTBRPBAV-UHFFFAOYSA-N 1 2 370.274 3.003 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC(F)(F)C(F)(F)F)CCO2 ZINC000589306921 506511369 /nfs/dbraw/zinc/51/13/69/506511369.db2.gz QNNAKKYTBRPBAV-UHFFFAOYSA-N 1 2 370.274 3.003 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233204 506821399 /nfs/dbraw/zinc/82/13/99/506821399.db2.gz BNRXBAJGQVVBFX-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233204 506821404 /nfs/dbraw/zinc/82/14/04/506821404.db2.gz BNRXBAJGQVVBFX-BEFAXECRSA-N 1 2 369.421 3.385 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000609483619 506894722 /nfs/dbraw/zinc/89/47/22/506894722.db2.gz KGOAWRXYUOBWHW-UKRRQHHQSA-N 1 2 362.348 3.270 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000609483619 506894726 /nfs/dbraw/zinc/89/47/26/506894726.db2.gz KGOAWRXYUOBWHW-UKRRQHHQSA-N 1 2 362.348 3.270 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000583697760 506921519 /nfs/dbraw/zinc/92/15/19/506921519.db2.gz WZTROPAQMBKCAP-UHFFFAOYSA-N 1 2 350.346 3.050 20 5 FGBDLO CCc1cc(NC[C@H](O)CC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609765790 506994197 /nfs/dbraw/zinc/99/41/97/506994197.db2.gz UXVHSNASSRMFTP-MRXNPFEDSA-N 1 2 358.442 3.245 20 5 FGBDLO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000597703502 507067285 /nfs/dbraw/zinc/06/72/85/507067285.db2.gz HEYOMCXOLYKOHC-UHFFFAOYSA-N 1 2 361.442 3.027 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([C@@H](O)C(F)(F)F)CC3)c2c1 ZINC000591150762 507133215 /nfs/dbraw/zinc/13/32/15/507133215.db2.gz GWGXYHZQLKBZDD-CQSZACIVSA-N 1 2 355.316 3.283 20 5 FGBDLO Cc1c[nH+]c(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c(C)c1 ZINC000594594964 507201343 /nfs/dbraw/zinc/20/13/43/507201343.db2.gz DMQJMHIZKHACCH-UHFFFAOYSA-N 1 2 370.453 3.093 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000594609346 507209226 /nfs/dbraw/zinc/20/92/26/507209226.db2.gz SSUULMXFCVNVMR-HNNXBMFYSA-N 1 2 364.364 3.090 20 5 FGBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000594609346 507209231 /nfs/dbraw/zinc/20/92/31/507209231.db2.gz SSUULMXFCVNVMR-HNNXBMFYSA-N 1 2 364.364 3.090 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601196628 507293806 /nfs/dbraw/zinc/29/38/06/507293806.db2.gz QBJUSYGBESARPC-UHFFFAOYSA-N 1 2 354.410 3.030 20 5 FGBDLO C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000601314643 507332786 /nfs/dbraw/zinc/33/27/86/507332786.db2.gz MGRWAKRAIOTUTI-CRAIPNDOSA-N 1 2 368.437 3.323 20 5 FGBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000601427220 507360369 /nfs/dbraw/zinc/36/03/69/507360369.db2.gz YLXBCYZLWBBOIQ-UHFFFAOYSA-N 1 2 360.389 3.263 20 5 FGBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCCC2)O1 ZINC000592192258 507531847 /nfs/dbraw/zinc/53/18/47/507531847.db2.gz HGQRULXMZMZEGI-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCCC2)O1 ZINC000592192258 507531852 /nfs/dbraw/zinc/53/18/52/507531852.db2.gz HGQRULXMZMZEGI-ZDUSSCGKSA-N 1 2 358.398 3.178 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595502878 507534737 /nfs/dbraw/zinc/53/47/37/507534737.db2.gz XBSCPMJRTFBSSE-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595502878 507534739 /nfs/dbraw/zinc/53/47/39/507534739.db2.gz XBSCPMJRTFBSSE-HNNXBMFYSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192746 507535170 /nfs/dbraw/zinc/53/51/70/507535170.db2.gz KFJNRDROYBNTDW-ZFWWWQNUSA-N 1 2 361.442 3.264 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592192746 507535176 /nfs/dbraw/zinc/53/51/76/507535176.db2.gz KFJNRDROYBNTDW-ZFWWWQNUSA-N 1 2 361.442 3.264 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc(OC)c1 ZINC000611257188 507584388 /nfs/dbraw/zinc/58/43/88/507584388.db2.gz JRYSBUBOMHLQHR-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc(OC)c1 ZINC000611257188 507584398 /nfs/dbraw/zinc/58/43/98/507584398.db2.gz JRYSBUBOMHLQHR-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602115185 507597766 /nfs/dbraw/zinc/59/77/66/507597766.db2.gz GQQRSXOHFGHNIQ-RISCZKNCSA-N 1 2 370.331 3.471 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595657537 507617410 /nfs/dbraw/zinc/61/74/10/507617410.db2.gz MTMVTBFWDDGLBN-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657537 507617416 /nfs/dbraw/zinc/61/74/16/507617416.db2.gz MTMVTBFWDDGLBN-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO CN(C(=O)CCCn1cc[nH+]c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000611400803 507663812 /nfs/dbraw/zinc/66/38/12/507663812.db2.gz ZPHONWVCADGNSM-UHFFFAOYSA-N 1 2 371.422 3.358 20 5 FGBDLO C[N@H+](CCn1cc(Br)cn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111196416 700546482 /nfs/dbraw/zinc/54/64/82/700546482.db2.gz XKVUSYGLRXQEDT-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111196416 700546486 /nfs/dbraw/zinc/54/64/86/700546486.db2.gz XKVUSYGLRXQEDT-UHFFFAOYSA-N 1 2 373.638 3.339 20 5 FGBDLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000131513830 700816216 /nfs/dbraw/zinc/81/62/16/700816216.db2.gz QAXLWEKZIZAHNA-CYBMUJFWSA-N 1 2 368.235 3.380 20 5 FGBDLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000131513830 700816219 /nfs/dbraw/zinc/81/62/19/700816219.db2.gz QAXLWEKZIZAHNA-CYBMUJFWSA-N 1 2 368.235 3.380 20 5 FGBDLO Cc1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804432008 724516478 /nfs/dbraw/zinc/51/64/78/724516478.db2.gz NBSCMRXWRZVPSS-NWDGAFQWSA-N 1 2 372.263 3.187 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000746320531 722598462 /nfs/dbraw/zinc/59/84/62/722598462.db2.gz RJFYYTZBIRFBFB-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000746320531 722598463 /nfs/dbraw/zinc/59/84/63/722598463.db2.gz RJFYYTZBIRFBFB-UHFFFAOYSA-N 1 2 373.425 3.118 20 5 FGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760548601 723063527 /nfs/dbraw/zinc/06/35/27/723063527.db2.gz CDQKPQQZCCLWMK-UHFFFAOYSA-N 1 2 365.327 3.362 20 5 FGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760548601 723063529 /nfs/dbraw/zinc/06/35/29/723063529.db2.gz CDQKPQQZCCLWMK-UHFFFAOYSA-N 1 2 365.327 3.362 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000761252908 723137453 /nfs/dbraw/zinc/13/74/53/723137453.db2.gz NVWWSUHWTVARTH-MRXNPFEDSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000761252908 723137456 /nfs/dbraw/zinc/13/74/56/723137456.db2.gz NVWWSUHWTVARTH-MRXNPFEDSA-N 1 2 359.813 3.486 20 5 FGBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000761514440 723161614 /nfs/dbraw/zinc/16/16/14/723161614.db2.gz JIQGHPGLDYQUQF-GJZGRUSLSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000761514440 723161615 /nfs/dbraw/zinc/16/16/15/723161615.db2.gz JIQGHPGLDYQUQF-GJZGRUSLSA-N 1 2 353.850 3.470 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1ccncc1)CC2 ZINC000792901183 723379089 /nfs/dbraw/zinc/37/90/89/723379089.db2.gz YHSLMWUAZDUERS-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1ccncc1)CC2 ZINC000792901183 723379091 /nfs/dbraw/zinc/37/90/91/723379091.db2.gz YHSLMWUAZDUERS-UHFFFAOYSA-N 1 2 362.227 3.353 20 5 FGBDLO CCOC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000794639567 723537210 /nfs/dbraw/zinc/53/72/10/723537210.db2.gz BRNSNADMUOUSKT-UHFFFAOYSA-N 1 2 355.822 3.078 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(OCC4CC4)CC3)c2c(Cl)c1 ZINC000774635426 723912722 /nfs/dbraw/zinc/91/27/22/723912722.db2.gz IHUHFFFOPUFOGK-UHFFFAOYSA-N 1 2 364.833 3.446 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805762091 725092609 /nfs/dbraw/zinc/09/26/09/725092609.db2.gz NGXCEEXGFZAKKI-CYBMUJFWSA-N 1 2 353.394 3.177 20 5 FGBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805762091 725092612 /nfs/dbraw/zinc/09/26/12/725092612.db2.gz NGXCEEXGFZAKKI-CYBMUJFWSA-N 1 2 353.394 3.177 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)c1 ZINC000811800339 725380433 /nfs/dbraw/zinc/38/04/33/725380433.db2.gz OTNMTGCKNRHZAL-ZDUSSCGKSA-N 1 2 360.805 3.007 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)c1 ZINC000811800339 725380434 /nfs/dbraw/zinc/38/04/34/725380434.db2.gz OTNMTGCKNRHZAL-ZDUSSCGKSA-N 1 2 360.805 3.007 20 5 FGBDLO C[C@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000821852648 729123604 /nfs/dbraw/zinc/12/36/04/729123604.db2.gz VBKHUJOQQJBJHW-HUUCEWRRSA-N 1 2 353.737 3.252 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836763102 729968928 /nfs/dbraw/zinc/96/89/28/729968928.db2.gz FXURLQMGGYKKLB-BZNIZROVSA-N 1 2 362.817 3.476 20 5 FGBDLO C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)n1cc[nH+]c1 ZINC000844402219 730713513 /nfs/dbraw/zinc/71/35/13/730713513.db2.gz QEQVUOSVYXKPPK-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471245 730722874 /nfs/dbraw/zinc/72/28/74/730722874.db2.gz OYWGEKOVMWPEPO-LKFCYVNXSA-N 1 2 359.760 3.306 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471245 730722879 /nfs/dbraw/zinc/72/28/79/730722879.db2.gz OYWGEKOVMWPEPO-LKFCYVNXSA-N 1 2 359.760 3.306 20 5 FGBDLO COc1cc(C[NH+]2CCC(C(C)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000846953579 730998970 /nfs/dbraw/zinc/99/89/70/730998970.db2.gz ZCQVUKDUTLSUFO-UHFFFAOYSA-N 1 2 358.341 3.006 20 5 FGBDLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878121204 736776371 /nfs/dbraw/zinc/77/63/71/736776371.db2.gz PGQVULPNLPPSRC-SECBINFHSA-N 1 2 354.819 3.236 20 5 FGBDLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878121204 736776375 /nfs/dbraw/zinc/77/63/75/736776375.db2.gz PGQVULPNLPPSRC-SECBINFHSA-N 1 2 354.819 3.236 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000896653757 742577729 /nfs/dbraw/zinc/57/77/29/742577729.db2.gz JPLUYLABZLXSIJ-UHFFFAOYSA-N 1 2 351.204 3.136 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927099727 759890281 /nfs/dbraw/zinc/89/02/81/759890281.db2.gz FUBYLKDHRSJLHZ-UHFFFAOYSA-N 1 2 360.801 3.360 20 5 FGBDLO Cn1cc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])n1 ZINC000934417051 761626856 /nfs/dbraw/zinc/62/68/56/761626856.db2.gz HLQFHVJNHJSFJT-UHFFFAOYSA-N 1 2 362.817 3.077 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000053124798 221043395 /nfs/dbraw/zinc/04/33/95/221043395.db2.gz RZQJQKJLVPPSDG-LBPRGKRZSA-N 1 2 361.373 3.374 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000053124798 221043397 /nfs/dbraw/zinc/04/33/97/221043397.db2.gz RZQJQKJLVPPSDG-LBPRGKRZSA-N 1 2 361.373 3.374 20 5 FGBDLO COc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC000057826152 493804156 /nfs/dbraw/zinc/80/41/56/493804156.db2.gz FAQUTHGWEWQJOJ-UHFFFAOYSA-N 1 2 351.366 3.376 20 5 FGBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC000048273110 493810026 /nfs/dbraw/zinc/81/00/26/493810026.db2.gz OQHDHCOPWIZAHI-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC000048273110 493810028 /nfs/dbraw/zinc/81/00/28/493810028.db2.gz OQHDHCOPWIZAHI-UHFFFAOYSA-N 1 2 362.817 3.492 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c[nH+]1 ZINC000058350654 493845952 /nfs/dbraw/zinc/84/59/52/493845952.db2.gz WPIUNBHHSJRUIC-UHFFFAOYSA-N 1 2 367.409 3.247 20 5 FGBDLO CCc1cc(NCCOC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000068770591 493869658 /nfs/dbraw/zinc/86/96/58/493869658.db2.gz VRGGGYNAKQVYHZ-CQSZACIVSA-N 1 2 372.425 3.079 20 5 FGBDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000030028982 493875355 /nfs/dbraw/zinc/87/53/55/493875355.db2.gz XPHJCWYSGCQAIB-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000030028982 493875359 /nfs/dbraw/zinc/87/53/59/493875359.db2.gz XPHJCWYSGCQAIB-QGZVFWFLSA-N 1 2 359.813 3.377 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1C ZINC000058958152 493896764 /nfs/dbraw/zinc/89/67/64/493896764.db2.gz XXAZYCYXGCTDGV-UHFFFAOYSA-N 1 2 368.393 3.369 20 5 FGBDLO C[C@H](Cc1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032177808 493977070 /nfs/dbraw/zinc/97/70/70/493977070.db2.gz FGZBKIGMCQRJHJ-GFCCVEGCSA-N 1 2 356.407 3.203 20 5 FGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000032534401 493995633 /nfs/dbraw/zinc/99/56/33/493995633.db2.gz MWUWNIMEEOHHRT-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000077446891 494084541 /nfs/dbraw/zinc/08/45/41/494084541.db2.gz CCBNXTKISMCPIM-UHFFFAOYSA-N 1 2 365.393 3.360 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000088605317 494252214 /nfs/dbraw/zinc/25/22/14/494252214.db2.gz PUYGQMUYKKYJMU-ZDUSSCGKSA-N 1 2 369.421 3.372 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000088605317 494252216 /nfs/dbraw/zinc/25/22/16/494252216.db2.gz PUYGQMUYKKYJMU-ZDUSSCGKSA-N 1 2 369.421 3.372 20 5 FGBDLO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072975451 494295535 /nfs/dbraw/zinc/29/55/35/494295535.db2.gz IECBFFSTKRNTRX-QWHCGFSZSA-N 1 2 369.849 3.324 20 5 FGBDLO CCOC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072975451 494295538 /nfs/dbraw/zinc/29/55/38/494295538.db2.gz IECBFFSTKRNTRX-QWHCGFSZSA-N 1 2 369.849 3.324 20 5 FGBDLO Cc1c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000089512197 494319255 /nfs/dbraw/zinc/31/92/55/494319255.db2.gz OQMJRRUKBUZXDR-GFCCVEGCSA-N 1 2 355.373 3.474 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000015521781 494357847 /nfs/dbraw/zinc/35/78/47/494357847.db2.gz QBJCGEAVKPLNCJ-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000015521781 494357850 /nfs/dbraw/zinc/35/78/50/494357850.db2.gz QBJCGEAVKPLNCJ-QGZVFWFLSA-N 1 2 372.425 3.108 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066849382 494423456 /nfs/dbraw/zinc/42/34/56/494423456.db2.gz HRQQNRXSYCBVNW-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000066849382 494423460 /nfs/dbraw/zinc/42/34/60/494423460.db2.gz HRQQNRXSYCBVNW-SFHVURJKSA-N 1 2 373.384 3.136 20 5 FGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046344835 494518021 /nfs/dbraw/zinc/51/80/21/494518021.db2.gz UCODBCMAFCJGJH-GJZGRUSLSA-N 1 2 369.421 3.456 20 5 FGBDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000046598991 494539777 /nfs/dbraw/zinc/53/97/77/494539777.db2.gz FQONAZICRIZDAZ-MRXNPFEDSA-N 1 2 359.451 3.452 20 5 FGBDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000046598991 494539782 /nfs/dbraw/zinc/53/97/82/494539782.db2.gz FQONAZICRIZDAZ-MRXNPFEDSA-N 1 2 359.451 3.452 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599508 494539946 /nfs/dbraw/zinc/53/99/46/494539946.db2.gz USWGNBPNGDECHE-INIZCTEOSA-N 1 2 355.438 3.082 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599508 494539950 /nfs/dbraw/zinc/53/99/50/494539950.db2.gz USWGNBPNGDECHE-INIZCTEOSA-N 1 2 355.438 3.082 20 5 FGBDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000115635725 494580145 /nfs/dbraw/zinc/58/01/45/494580145.db2.gz GGMBRVOYBOGAJU-OAHLLOKOSA-N 1 2 364.352 3.297 20 5 FGBDLO C[C@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC000131326459 494584157 /nfs/dbraw/zinc/58/41/57/494584157.db2.gz UKZIHJJJVCFTNZ-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC000131326459 494584163 /nfs/dbraw/zinc/58/41/63/494584163.db2.gz UKZIHJJJVCFTNZ-ZDUSSCGKSA-N 1 2 373.840 3.484 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131329624 494586144 /nfs/dbraw/zinc/58/61/44/494586144.db2.gz DKOMXTXAAURIEP-CQSZACIVSA-N 1 2 371.412 3.139 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131329624 494586151 /nfs/dbraw/zinc/58/61/51/494586151.db2.gz DKOMXTXAAURIEP-CQSZACIVSA-N 1 2 371.412 3.139 20 5 FGBDLO CC[N@H+](CCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000067795101 494650319 /nfs/dbraw/zinc/65/03/19/494650319.db2.gz UFDJREHGRMRFOW-UHFFFAOYSA-N 1 2 371.437 3.179 20 5 FGBDLO CC[N@@H+](CCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000067795101 494650325 /nfs/dbraw/zinc/65/03/25/494650325.db2.gz UFDJREHGRMRFOW-UHFFFAOYSA-N 1 2 371.437 3.179 20 5 FGBDLO COc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000067817353 494654798 /nfs/dbraw/zinc/65/47/98/494654798.db2.gz RMPAZDNBOYAWSP-UHFFFAOYSA-N 1 2 370.340 3.109 20 5 FGBDLO Cc1csc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000067864911 494672342 /nfs/dbraw/zinc/67/23/42/494672342.db2.gz FFIYJAZCVBYPNL-NSHDSACASA-N 1 2 357.395 3.036 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000116351132 494766412 /nfs/dbraw/zinc/76/64/12/494766412.db2.gz SCBITAMXDCGVCF-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000116351132 494766418 /nfs/dbraw/zinc/76/64/18/494766418.db2.gz SCBITAMXDCGVCF-UHFFFAOYSA-N 1 2 351.756 3.318 20 5 FGBDLO Cn1cnc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000092851716 494774063 /nfs/dbraw/zinc/77/40/63/494774063.db2.gz OUOAEUCFCBKPLG-UHFFFAOYSA-N 1 2 373.800 3.459 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000092968553 494796559 /nfs/dbraw/zinc/79/65/59/494796559.db2.gz KOFFQVVWZZHZRX-KRWDZBQOSA-N 1 2 356.378 3.409 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000092968553 494796563 /nfs/dbraw/zinc/79/65/63/494796563.db2.gz KOFFQVVWZZHZRX-KRWDZBQOSA-N 1 2 356.378 3.409 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000092149128 494801092 /nfs/dbraw/zinc/80/10/92/494801092.db2.gz TTWFHZLLCZREOE-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000092149128 494801095 /nfs/dbraw/zinc/80/10/95/494801095.db2.gz TTWFHZLLCZREOE-UHFFFAOYSA-N 1 2 359.451 3.313 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000121616401 494820774 /nfs/dbraw/zinc/82/07/74/494820774.db2.gz MGLUPXPCBXNRBW-HXUWFJFHSA-N 1 2 370.405 3.209 20 5 FGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000121616401 494820779 /nfs/dbraw/zinc/82/07/79/494820779.db2.gz MGLUPXPCBXNRBW-HXUWFJFHSA-N 1 2 370.405 3.209 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000026475452 494827610 /nfs/dbraw/zinc/82/76/10/494827610.db2.gz JDEOFXNNEBFZBC-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000026475452 494827612 /nfs/dbraw/zinc/82/76/12/494827612.db2.gz JDEOFXNNEBFZBC-ZDUSSCGKSA-N 1 2 373.409 3.071 20 5 FGBDLO Cc1cc(NCCCOC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126918030 494862161 /nfs/dbraw/zinc/86/21/61/494862161.db2.gz CLWFXROVKHSOJY-QGZVFWFLSA-N 1 2 372.425 3.358 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000577541161 505748408 /nfs/dbraw/zinc/74/84/08/505748408.db2.gz LIRVISQHHSEKIA-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093384370 494882718 /nfs/dbraw/zinc/88/27/18/494882718.db2.gz DWXSUDWABKSPHY-GFCCVEGCSA-N 1 2 368.480 3.188 20 5 FGBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093384370 494882719 /nfs/dbraw/zinc/88/27/19/494882719.db2.gz DWXSUDWABKSPHY-GFCCVEGCSA-N 1 2 368.480 3.188 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000093416456 494889114 /nfs/dbraw/zinc/88/91/14/494889114.db2.gz ALDWNRDXIGDJIK-HWKANZROSA-N 1 2 361.339 3.126 20 5 FGBDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000093608107 494902217 /nfs/dbraw/zinc/90/22/17/494902217.db2.gz KBFBRCMRANLBQB-KBXCAEBGSA-N 1 2 369.421 3.269 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000093608173 494902646 /nfs/dbraw/zinc/90/26/46/494902646.db2.gz YVXFUNIHVKQBTL-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127453918 494947093 /nfs/dbraw/zinc/94/70/93/494947093.db2.gz RPFZCOBXAVRCQU-IRXDYDNUSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127453918 494947094 /nfs/dbraw/zinc/94/70/94/494947094.db2.gz RPFZCOBXAVRCQU-IRXDYDNUSA-N 1 2 361.348 3.048 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000127589918 494966621 /nfs/dbraw/zinc/96/66/21/494966621.db2.gz VHMHJWPRUKFJGY-UHFFFAOYSA-N 1 2 357.414 3.109 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccc(F)cc4C3)o2)cc1 ZINC000133816449 495066072 /nfs/dbraw/zinc/06/60/72/495066072.db2.gz YAKWMTDAFGRVNZ-UHFFFAOYSA-N 1 2 354.341 3.342 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccc(F)cc4C3)o2)cc1 ZINC000133816449 495066074 /nfs/dbraw/zinc/06/60/74/495066074.db2.gz YAKWMTDAFGRVNZ-UHFFFAOYSA-N 1 2 354.341 3.342 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119034877 495076461 /nfs/dbraw/zinc/07/64/61/495076461.db2.gz BICXBRQJTLNZPN-CQSZACIVSA-N 1 2 374.466 3.245 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000128752682 495145286 /nfs/dbraw/zinc/14/52/86/495145286.db2.gz XUQRFHVFPGHLCH-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO Cc1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000123933889 495209231 /nfs/dbraw/zinc/20/92/31/495209231.db2.gz QLDURVPXNCAXIG-GQCTYLIASA-N 1 2 358.467 3.191 20 5 FGBDLO CCc1cc(N(C)Cc2ccc(N)[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000135981637 495347711 /nfs/dbraw/zinc/34/77/11/495347711.db2.gz HUDJBKZMKHLVHU-UHFFFAOYSA-N 1 2 364.409 3.228 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000106878994 495506229 /nfs/dbraw/zinc/50/62/29/495506229.db2.gz PNTXFASZIVMAGX-GFCCVEGCSA-N 1 2 374.466 3.250 20 5 FGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000106878994 495506233 /nfs/dbraw/zinc/50/62/33/495506233.db2.gz PNTXFASZIVMAGX-GFCCVEGCSA-N 1 2 374.466 3.250 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000154242853 495555024 /nfs/dbraw/zinc/55/50/24/495555024.db2.gz STPJLQMEXNMGMD-INIZCTEOSA-N 1 2 371.441 3.129 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000154242853 495555031 /nfs/dbraw/zinc/55/50/31/495555031.db2.gz STPJLQMEXNMGMD-INIZCTEOSA-N 1 2 371.441 3.129 20 5 FGBDLO Cc1cccc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000154361144 495593036 /nfs/dbraw/zinc/59/30/36/495593036.db2.gz ACHGZNZYFLXNPJ-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO CCc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000154416144 495610782 /nfs/dbraw/zinc/61/07/82/495610782.db2.gz FMNAOVBGQOPSQR-UHFFFAOYSA-N 1 2 360.483 3.240 20 5 FGBDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000182758420 495692114 /nfs/dbraw/zinc/69/21/14/495692114.db2.gz OANWMGDTRHDQQG-AEFFLSMTSA-N 1 2 358.442 3.179 20 5 FGBDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000182758420 495692116 /nfs/dbraw/zinc/69/21/16/495692116.db2.gz OANWMGDTRHDQQG-AEFFLSMTSA-N 1 2 358.442 3.179 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000182879054 495738906 /nfs/dbraw/zinc/73/89/06/495738906.db2.gz SQAVYEWFEHEVMT-OAHLLOKOSA-N 1 2 369.421 3.128 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179868988 495765126 /nfs/dbraw/zinc/76/51/26/495765126.db2.gz YKMBTJSQOHXINC-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179868988 495765130 /nfs/dbraw/zinc/76/51/30/495765130.db2.gz YKMBTJSQOHXINC-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177012581 495882571 /nfs/dbraw/zinc/88/25/71/495882571.db2.gz ZEHVGHHKRUBJAS-ZFWWWQNUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177012581 495882579 /nfs/dbraw/zinc/88/25/79/495882579.db2.gz ZEHVGHHKRUBJAS-ZFWWWQNUSA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494625 496020087 /nfs/dbraw/zinc/02/00/87/496020087.db2.gz IGIZAORAJXCBMU-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494625 496020090 /nfs/dbraw/zinc/02/00/90/496020090.db2.gz IGIZAORAJXCBMU-SNVBAGLBSA-N 1 2 367.327 3.471 20 5 FGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)cc1F ZINC000155722435 496047984 /nfs/dbraw/zinc/04/79/84/496047984.db2.gz IGROTJFCHNZQPK-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)cc1F ZINC000155722435 496047991 /nfs/dbraw/zinc/04/79/91/496047991.db2.gz IGROTJFCHNZQPK-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156214425 496189308 /nfs/dbraw/zinc/18/93/08/496189308.db2.gz NREGTNZSONFZMU-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156214425 496189312 /nfs/dbraw/zinc/18/93/12/496189312.db2.gz NREGTNZSONFZMU-LBPRGKRZSA-N 1 2 354.366 3.195 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177796516 496199998 /nfs/dbraw/zinc/19/99/98/496199998.db2.gz ZSTLUZMVMQYNEV-LJQANCHMSA-N 1 2 369.396 3.179 20 5 FGBDLO CCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000156274578 496203434 /nfs/dbraw/zinc/20/34/34/496203434.db2.gz OXUPIQXXDDUSLI-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000156274578 496203442 /nfs/dbraw/zinc/20/34/42/496203442.db2.gz OXUPIQXXDDUSLI-UHFFFAOYSA-N 1 2 359.348 3.058 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000161841391 496247281 /nfs/dbraw/zinc/24/72/81/496247281.db2.gz KBYKLHARFZRAAN-UHFFFAOYSA-N 1 2 356.426 3.003 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175145153 496265916 /nfs/dbraw/zinc/26/59/16/496265916.db2.gz NVIQASVMOFYZRT-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175145153 496265917 /nfs/dbraw/zinc/26/59/17/496265917.db2.gz NVIQASVMOFYZRT-KRWDZBQOSA-N 1 2 372.425 3.108 20 5 FGBDLO CSc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000187075865 496281971 /nfs/dbraw/zinc/28/19/71/496281971.db2.gz ZMYDAQUTGOJDIL-UHFFFAOYSA-N 1 2 372.450 3.064 20 5 FGBDLO COc1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000184237016 496299555 /nfs/dbraw/zinc/29/95/55/496299555.db2.gz QIMOMOLVNNDSBH-ZDUSSCGKSA-N 1 2 362.357 3.014 20 5 FGBDLO COc1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000184237016 496299557 /nfs/dbraw/zinc/29/95/57/496299557.db2.gz QIMOMOLVNNDSBH-ZDUSSCGKSA-N 1 2 362.357 3.014 20 5 FGBDLO Cc1csc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000156778991 496332271 /nfs/dbraw/zinc/33/22/71/496332271.db2.gz MEIQTBLPYPVOFT-UHFFFAOYSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000178192074 496363749 /nfs/dbraw/zinc/36/37/49/496363749.db2.gz MBZVBJSXHZXQJP-UHFFFAOYSA-N 1 2 358.379 3.094 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153136122 496364234 /nfs/dbraw/zinc/36/42/34/496364234.db2.gz CWUWZGYRSPLBGP-GOSISDBHSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153136122 496364242 /nfs/dbraw/zinc/36/42/42/496364242.db2.gz CWUWZGYRSPLBGP-GOSISDBHSA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153137761 496364583 /nfs/dbraw/zinc/36/45/83/496364583.db2.gz FXUGEZNXISFFDT-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153137761 496364586 /nfs/dbraw/zinc/36/45/86/496364586.db2.gz FXUGEZNXISFFDT-MRXNPFEDSA-N 1 2 367.449 3.009 20 5 FGBDLO CCc1cnc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000175871490 496581719 /nfs/dbraw/zinc/58/17/19/496581719.db2.gz XYPFVARLYZWGJK-UHFFFAOYSA-N 1 2 371.422 3.072 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000185029478 496629311 /nfs/dbraw/zinc/62/93/11/496629311.db2.gz JTUVYESQTALVQK-NSHDSACASA-N 1 2 364.427 3.048 20 5 FGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182342350 496730411 /nfs/dbraw/zinc/73/04/11/496730411.db2.gz MKKIIJFWUZSFFJ-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182342350 496730410 /nfs/dbraw/zinc/73/04/10/496730410.db2.gz MKKIIJFWUZSFFJ-GJZGRUSLSA-N 1 2 360.863 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000182340702 496730441 /nfs/dbraw/zinc/73/04/41/496730441.db2.gz YOVNBKSWGVLVED-UHFFFAOYSA-N 1 2 361.829 3.272 20 5 FGBDLO C[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@]1=O ZINC000277373461 496752263 /nfs/dbraw/zinc/75/22/63/496752263.db2.gz XSHKZCQZZGEUBO-HWRSSNJWSA-N 1 2 355.459 3.289 20 5 FGBDLO C[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@]1=O ZINC000277373461 496752271 /nfs/dbraw/zinc/75/22/71/496752271.db2.gz XSHKZCQZZGEUBO-HWRSSNJWSA-N 1 2 355.459 3.289 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273346280 496779897 /nfs/dbraw/zinc/77/98/97/496779897.db2.gz BTZFBJZTSAIXKA-CYBMUJFWSA-N 1 2 373.388 3.040 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273499705 496823925 /nfs/dbraw/zinc/82/39/25/496823925.db2.gz VCBWXZQWYHSSFE-UHFFFAOYSA-N 1 2 359.361 3.051 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273523938 496830515 /nfs/dbraw/zinc/83/05/15/496830515.db2.gz ZGQMIFWIZTWNAC-UHFFFAOYSA-N 1 2 373.388 3.441 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195351345 496898610 /nfs/dbraw/zinc/89/86/10/496898610.db2.gz MEUHUBALXWRIGI-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195351345 496898614 /nfs/dbraw/zinc/89/86/14/496898614.db2.gz MEUHUBALXWRIGI-CYBMUJFWSA-N 1 2 360.439 3.178 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653111 497072507 /nfs/dbraw/zinc/07/25/07/497072507.db2.gz UMOWANWVZQTBMI-PEYYIBSZSA-N 1 2 366.389 3.049 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653111 497072511 /nfs/dbraw/zinc/07/25/11/497072511.db2.gz UMOWANWVZQTBMI-PEYYIBSZSA-N 1 2 366.389 3.049 20 5 FGBDLO Cc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000189405862 497107408 /nfs/dbraw/zinc/10/74/08/497107408.db2.gz DUZZWNXVQASXKS-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000189405862 497107411 /nfs/dbraw/zinc/10/74/11/497107411.db2.gz DUZZWNXVQASXKS-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000270958477 497233196 /nfs/dbraw/zinc/23/31/96/497233196.db2.gz YYBJDAZBFVFVNL-RHSMWYFYSA-N 1 2 372.425 3.104 20 5 FGBDLO CC1(C)C[C@H]([NH2+]Cc2nnc3n2CCCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000279086400 497329581 /nfs/dbraw/zinc/32/95/81/497329581.db2.gz NAVXZJVHOSYZEJ-INIZCTEOSA-N 1 2 355.442 3.425 20 5 FGBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000271420003 497343162 /nfs/dbraw/zinc/34/31/62/497343162.db2.gz LMCYBTCQXHNHND-UHFFFAOYSA-N 1 2 354.414 3.082 20 5 FGBDLO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000245571770 497461640 /nfs/dbraw/zinc/46/16/40/497461640.db2.gz YAAALMCQFJCZGC-IAGOWNOFSA-N 1 2 355.394 3.098 20 5 FGBDLO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000245571770 497461647 /nfs/dbraw/zinc/46/16/47/497461647.db2.gz YAAALMCQFJCZGC-IAGOWNOFSA-N 1 2 355.394 3.098 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245704599 497509928 /nfs/dbraw/zinc/50/99/28/497509928.db2.gz RPFZCOBXAVRCQU-IAGOWNOFSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245704599 497509934 /nfs/dbraw/zinc/50/99/34/497509934.db2.gz RPFZCOBXAVRCQU-IAGOWNOFSA-N 1 2 361.348 3.048 20 5 FGBDLO CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000272175655 497556801 /nfs/dbraw/zinc/55/68/01/497556801.db2.gz DWRKDVOEYHEJLQ-JKSUJKDBSA-N 1 2 372.425 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272355298 497605821 /nfs/dbraw/zinc/60/58/21/497605821.db2.gz AUFZVJDDFOSDJE-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272355298 497605826 /nfs/dbraw/zinc/60/58/26/497605826.db2.gz AUFZVJDDFOSDJE-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268226491 497706128 /nfs/dbraw/zinc/70/61/28/497706128.db2.gz DMVTZJQVXGCLQT-BXUZGUMPSA-N 1 2 352.341 3.480 20 5 FGBDLO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(-c2cccnc2)[nH+]1 ZINC000301101943 497951552 /nfs/dbraw/zinc/95/15/52/497951552.db2.gz KYWIELQDAKNVHJ-UHFFFAOYSA-N 1 2 350.382 3.279 20 5 FGBDLO COc1ccc([C@@H](CNc2ccc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301461238 498119926 /nfs/dbraw/zinc/11/99/26/498119926.db2.gz ZJHJFIWGYCOJHL-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nc(N2CCCC2)n1 ZINC000292718685 498121424 /nfs/dbraw/zinc/12/14/24/498121424.db2.gz DZTUWBXFEZKZNB-UHFFFAOYSA-N 1 2 361.833 3.237 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000301474260 498126283 /nfs/dbraw/zinc/12/62/83/498126283.db2.gz MSJGPEHPNKYCAG-UHFFFAOYSA-N 1 2 371.437 3.243 20 5 FGBDLO Cc1cc2c(cc1C)[C@H]([N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1)CCO2 ZINC000364783534 498140951 /nfs/dbraw/zinc/14/09/51/498140951.db2.gz KPGAFPCIWUAGTM-MRXNPFEDSA-N 1 2 356.426 3.433 20 5 FGBDLO Cc1cc2c(cc1C)[C@H]([N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1)CCO2 ZINC000364783534 498140953 /nfs/dbraw/zinc/14/09/53/498140953.db2.gz KPGAFPCIWUAGTM-MRXNPFEDSA-N 1 2 356.426 3.433 20 5 FGBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000301620874 498190981 /nfs/dbraw/zinc/19/09/81/498190981.db2.gz FDZUXTDKFLACJP-ZDUSSCGKSA-N 1 2 362.380 3.460 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330813561 498198319 /nfs/dbraw/zinc/19/83/19/498198319.db2.gz KZPSVLADKAKWSG-HNNXBMFYSA-N 1 2 362.348 3.271 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330813561 498198324 /nfs/dbraw/zinc/19/83/24/498198324.db2.gz KZPSVLADKAKWSG-HNNXBMFYSA-N 1 2 362.348 3.271 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000289584116 498205193 /nfs/dbraw/zinc/20/51/93/498205193.db2.gz PGQUGYVDRAOVSS-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000289584116 498205198 /nfs/dbraw/zinc/20/51/98/498205198.db2.gz PGQUGYVDRAOVSS-DOTOQJQBSA-N 1 2 370.409 3.178 20 5 FGBDLO O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000301691802 498225725 /nfs/dbraw/zinc/22/57/25/498225725.db2.gz NYEYVRSSRNLHSW-UHFFFAOYSA-N 1 2 364.203 3.491 20 5 FGBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285919070 498241121 /nfs/dbraw/zinc/24/11/21/498241121.db2.gz HXQSSAUVBFOKAE-LBPRGKRZSA-N 1 2 355.385 3.001 20 5 FGBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285919070 498241127 /nfs/dbraw/zinc/24/11/27/498241127.db2.gz HXQSSAUVBFOKAE-LBPRGKRZSA-N 1 2 355.385 3.001 20 5 FGBDLO Cc1cc(N(C)C2CCC(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301805295 498272434 /nfs/dbraw/zinc/27/24/34/498272434.db2.gz BJTZYCJMGIFUGZ-UHFFFAOYSA-N 1 2 356.426 3.348 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1O ZINC000365059397 498276757 /nfs/dbraw/zinc/27/67/57/498276757.db2.gz XKCICSJIKLGYNB-INIZCTEOSA-N 1 2 374.397 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1O ZINC000365059397 498276763 /nfs/dbraw/zinc/27/67/63/498276763.db2.gz XKCICSJIKLGYNB-INIZCTEOSA-N 1 2 374.397 3.056 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281877622 498302896 /nfs/dbraw/zinc/30/28/96/498302896.db2.gz DAACWJLLEYPRFO-HNNXBMFYSA-N 1 2 368.437 3.456 20 5 FGBDLO COCCOc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000581520768 506006254 /nfs/dbraw/zinc/00/62/54/506006254.db2.gz PAIOHGJXKNWNMB-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO COCCOc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000581520768 506006257 /nfs/dbraw/zinc/00/62/57/506006257.db2.gz PAIOHGJXKNWNMB-UHFFFAOYSA-N 1 2 358.394 3.015 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293292509 498334490 /nfs/dbraw/zinc/33/44/90/498334490.db2.gz DIVMBQGROWDUKS-SNVBAGLBSA-N 1 2 366.805 3.258 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293292509 498334497 /nfs/dbraw/zinc/33/44/97/498334497.db2.gz DIVMBQGROWDUKS-SNVBAGLBSA-N 1 2 366.805 3.258 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nncn1C ZINC000293676130 498450519 /nfs/dbraw/zinc/45/05/19/498450519.db2.gz VCRZAGVUPJDMKD-CYBMUJFWSA-N 1 2 357.336 3.229 20 5 FGBDLO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365529839 498516139 /nfs/dbraw/zinc/51/61/39/498516139.db2.gz RRWAISITRHHNFS-SJORKVTESA-N 1 2 359.430 3.121 20 5 FGBDLO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365529839 498516143 /nfs/dbraw/zinc/51/61/43/498516143.db2.gz RRWAISITRHHNFS-SJORKVTESA-N 1 2 359.430 3.121 20 5 FGBDLO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363100085 498649259 /nfs/dbraw/zinc/64/92/59/498649259.db2.gz VGCRIPGWVABZHO-UHFFFAOYSA-N 1 2 357.370 3.003 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000294404015 498683697 /nfs/dbraw/zinc/68/36/97/498683697.db2.gz MFNBRTSBSBFGAB-HNNXBMFYSA-N 1 2 364.833 3.115 20 5 FGBDLO Cc1c([C@@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000291172158 498828191 /nfs/dbraw/zinc/82/81/91/498828191.db2.gz JYMJEWJGPVQFOG-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1c([C@@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000291172158 498828194 /nfs/dbraw/zinc/82/81/94/498828194.db2.gz JYMJEWJGPVQFOG-OAHLLOKOSA-N 1 2 368.437 3.008 20 5 FGBDLO Cc1cccc(C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000366628715 499010182 /nfs/dbraw/zinc/01/01/82/499010182.db2.gz HQTWLMJKGFIYBZ-UHFFFAOYSA-N 1 2 350.378 3.234 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366775403 499069212 /nfs/dbraw/zinc/06/92/12/499069212.db2.gz VJZLHJIIYAAZMZ-CYBMUJFWSA-N 1 2 374.466 3.267 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370710809 499246921 /nfs/dbraw/zinc/24/69/21/499246921.db2.gz ZYVMYJXQBXOMEC-CQSZACIVSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000370710809 499246923 /nfs/dbraw/zinc/24/69/23/499246923.db2.gz ZYVMYJXQBXOMEC-CQSZACIVSA-N 1 2 351.834 3.225 20 5 FGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000371246621 499301888 /nfs/dbraw/zinc/30/18/88/499301888.db2.gz FVFOPIBNLZDIMA-UHFFFAOYSA-N 1 2 352.350 3.311 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)n1 ZINC000369495119 499408825 /nfs/dbraw/zinc/40/88/25/499408825.db2.gz XMMLTMGXUYTXFY-UHFFFAOYSA-N 1 2 370.438 3.147 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372980783 499445726 /nfs/dbraw/zinc/44/57/26/499445726.db2.gz OFJTYFKEJCLWTB-LJQANCHMSA-N 1 2 358.394 3.273 20 5 FGBDLO CCOc1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372980783 499445727 /nfs/dbraw/zinc/44/57/27/499445727.db2.gz OFJTYFKEJCLWTB-LJQANCHMSA-N 1 2 358.394 3.273 20 5 FGBDLO CC1CCC([NH+]2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000375636169 499539956 /nfs/dbraw/zinc/53/99/56/499539956.db2.gz JWIBOGBYBDYTNO-UHFFFAOYSA-N 1 2 361.442 3.073 20 5 FGBDLO CCOc1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000380514258 499543792 /nfs/dbraw/zinc/54/37/92/499543792.db2.gz AJCNENREROOIIL-QGZVFWFLSA-N 1 2 371.437 3.306 20 5 FGBDLO CCOc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000380514258 499543793 /nfs/dbraw/zinc/54/37/93/499543793.db2.gz AJCNENREROOIIL-QGZVFWFLSA-N 1 2 371.437 3.306 20 5 FGBDLO COc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000389932469 499553620 /nfs/dbraw/zinc/55/36/20/499553620.db2.gz JOBGEIFKYYOWQN-UHFFFAOYSA-N 1 2 352.394 3.138 20 5 FGBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411789769 499790967 /nfs/dbraw/zinc/79/09/67/499790967.db2.gz INIJRLTZSBCZPM-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411789769 499790968 /nfs/dbraw/zinc/79/09/68/499790968.db2.gz INIJRLTZSBCZPM-GOSISDBHSA-N 1 2 373.384 3.136 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000413281898 499936698 /nfs/dbraw/zinc/93/66/98/499936698.db2.gz ODOZKNSQXQFBOR-SMDDNHRTSA-N 1 2 355.316 3.140 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000417275260 500025809 /nfs/dbraw/zinc/02/58/09/500025809.db2.gz BNCKVHQTJZPKLP-XHSDSOJGSA-N 1 2 358.398 3.031 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000417275260 500025812 /nfs/dbraw/zinc/02/58/12/500025812.db2.gz BNCKVHQTJZPKLP-XHSDSOJGSA-N 1 2 358.398 3.031 20 5 FGBDLO Cc1cc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000430409789 500236537 /nfs/dbraw/zinc/23/65/37/500236537.db2.gz UOBJKQSCMLBRKO-UHFFFAOYSA-N 1 2 352.350 3.106 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426458558 500273941 /nfs/dbraw/zinc/27/39/41/500273941.db2.gz IZWFAFNKCVNFBT-XJKSGUPXSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426458558 500273945 /nfs/dbraw/zinc/27/39/45/500273945.db2.gz IZWFAFNKCVNFBT-XJKSGUPXSA-N 1 2 372.425 3.230 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000427262094 500374946 /nfs/dbraw/zinc/37/49/46/500374946.db2.gz DPGHMUUCEMYDEC-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428352985 500499542 /nfs/dbraw/zinc/49/95/42/500499542.db2.gz RZYIMWSOSIYTIF-GFCCVEGCSA-N 1 2 360.439 3.038 20 5 FGBDLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000428720683 500549053 /nfs/dbraw/zinc/54/90/53/500549053.db2.gz LHXFCYRSYRDTTB-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000428720683 500549056 /nfs/dbraw/zinc/54/90/56/500549056.db2.gz LHXFCYRSYRDTTB-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421020783 500555971 /nfs/dbraw/zinc/55/59/71/500555971.db2.gz NROVMIXGDRXBGT-KUHUBIRLSA-N 1 2 364.442 3.393 20 5 FGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421020783 500555973 /nfs/dbraw/zinc/55/59/73/500555973.db2.gz NROVMIXGDRXBGT-KUHUBIRLSA-N 1 2 364.442 3.393 20 5 FGBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000447594112 500631183 /nfs/dbraw/zinc/63/11/83/500631183.db2.gz WYMGZLKBIGMXAL-HZPDHXFCSA-N 1 2 356.430 3.382 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437577155 500662798 /nfs/dbraw/zinc/66/27/98/500662798.db2.gz LLTRQCCJWRUUFJ-GUYCJALGSA-N 1 2 355.394 3.377 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437577155 500662800 /nfs/dbraw/zinc/66/28/00/500662800.db2.gz LLTRQCCJWRUUFJ-GUYCJALGSA-N 1 2 355.394 3.377 20 5 FGBDLO C[C@@H]1CC[C@]2(CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)C1 ZINC000447805800 500665903 /nfs/dbraw/zinc/66/59/03/500665903.db2.gz KJETWERZMQYWGK-UZLBHIALSA-N 1 2 359.470 3.444 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000447811428 500667741 /nfs/dbraw/zinc/66/77/41/500667741.db2.gz NRVPDZBJLBJGAJ-OALUTQOASA-N 1 2 367.449 3.470 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1cncs1 ZINC000447846973 500676969 /nfs/dbraw/zinc/67/69/69/500676969.db2.gz YLCRZQMZVKYZHM-UHFFFAOYSA-N 1 2 351.428 3.099 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1cncs1 ZINC000447846973 500676974 /nfs/dbraw/zinc/67/69/74/500676974.db2.gz YLCRZQMZVKYZHM-UHFFFAOYSA-N 1 2 351.428 3.099 20 5 FGBDLO CC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443122286 500683422 /nfs/dbraw/zinc/68/34/22/500683422.db2.gz UIUCSHMJVJVQRY-LLVKDONJSA-N 1 2 367.203 3.270 20 5 FGBDLO CCC(CC)N(CCOC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448739287 500819574 /nfs/dbraw/zinc/81/95/74/500819574.db2.gz MTWGQSMHTVOHIZ-UHFFFAOYSA-N 1 2 360.414 3.058 20 5 FGBDLO O=C(C[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000434505154 500853231 /nfs/dbraw/zinc/85/32/31/500853231.db2.gz YCVOAMYZPHBBBV-UHFFFAOYSA-N 1 2 357.385 3.494 20 5 FGBDLO CCc1ccccc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444589260 500862677 /nfs/dbraw/zinc/86/26/77/500862677.db2.gz HXCPPKPLCOIGDA-UHFFFAOYSA-N 1 2 373.478 3.219 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccnc(N4CCCCC4)c3)nc2c1 ZINC000602586755 506224022 /nfs/dbraw/zinc/22/40/22/506224022.db2.gz UODPXYMOYXXONV-UHFFFAOYSA-N 1 2 367.409 3.411 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1N1CCc3c([nH+]cn3-c3ccccc3)C1)CCN2 ZINC000436342948 501111142 /nfs/dbraw/zinc/11/11/42/501111142.db2.gz MHMONGKREPPMLU-UHFFFAOYSA-N 1 2 361.405 3.311 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739399 501159268 /nfs/dbraw/zinc/15/92/68/501159268.db2.gz UEIVBUBWZFHBIJ-CABCVRRESA-N 1 2 365.433 3.319 20 5 FGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739399 501159274 /nfs/dbraw/zinc/15/92/74/501159274.db2.gz UEIVBUBWZFHBIJ-CABCVRRESA-N 1 2 365.433 3.319 20 5 FGBDLO COc1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000446831595 501169786 /nfs/dbraw/zinc/16/97/86/501169786.db2.gz GQZQZCPCFRJBBM-QGZVFWFLSA-N 1 2 356.357 3.345 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[C@@H](C)C1 ZINC000451153799 501248623 /nfs/dbraw/zinc/24/86/23/501248623.db2.gz JAGWWASPWVAKCW-GDBMZVCRSA-N 1 2 372.425 3.058 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000455367764 501283489 /nfs/dbraw/zinc/28/34/89/501283489.db2.gz YTNJCTXYRDIIOA-OAHLLOKOSA-N 1 2 373.413 3.342 20 5 FGBDLO CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451436884 501293080 /nfs/dbraw/zinc/29/30/80/501293080.db2.gz XLRWZKYCSPBDBI-YGRLFVJLSA-N 1 2 370.331 3.487 20 5 FGBDLO Cc1ccc[nH+]c1CCc1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000453228611 501294943 /nfs/dbraw/zinc/29/49/43/501294943.db2.gz QLOANJWQVWNQIU-UHFFFAOYSA-N 1 2 366.377 3.282 20 5 FGBDLO O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451460197 501297254 /nfs/dbraw/zinc/29/72/54/501297254.db2.gz JBIWSURQXLKARW-GFCCVEGCSA-N 1 2 364.352 3.336 20 5 FGBDLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550082 501320773 /nfs/dbraw/zinc/32/07/73/501320773.db2.gz QUYXDALXWVXZHI-FUHWJXTLSA-N 1 2 355.394 3.084 20 5 FGBDLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550082 501320776 /nfs/dbraw/zinc/32/07/76/501320776.db2.gz QUYXDALXWVXZHI-FUHWJXTLSA-N 1 2 355.394 3.084 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000452142951 501444953 /nfs/dbraw/zinc/44/49/53/501444953.db2.gz YKCYSSOANDECKA-OAHLLOKOSA-N 1 2 372.425 3.200 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456240795 501479869 /nfs/dbraw/zinc/47/98/69/501479869.db2.gz CWXSKLCJOXYOBM-QAPCUYQASA-N 1 2 352.394 3.041 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1(C)C ZINC000452449087 501503175 /nfs/dbraw/zinc/50/31/75/501503175.db2.gz AGAZADBVXMYJRH-HNNXBMFYSA-N 1 2 353.382 3.033 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456398605 501517763 /nfs/dbraw/zinc/51/77/63/501517763.db2.gz CKGHITZKKUTPNH-GZMMTYOYSA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456403405 501519042 /nfs/dbraw/zinc/51/90/42/501519042.db2.gz FRQGPGCTMFHKGA-LDYMZIIASA-N 1 2 354.288 3.246 20 5 FGBDLO C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000454527906 501570043 /nfs/dbraw/zinc/57/00/43/501570043.db2.gz VUSXHNDDOKUASR-KCJUWKMLSA-N 1 2 367.312 3.220 20 5 FGBDLO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2[nH+]ccn21 ZINC000459118016 501597314 /nfs/dbraw/zinc/59/73/14/501597314.db2.gz PNZOIVNVIBHVHO-MLGOLLRUSA-N 1 2 355.398 3.171 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636724 501690656 /nfs/dbraw/zinc/69/06/56/501690656.db2.gz AGEGRYHRZQMGSR-OAHLLOKOSA-N 1 2 374.359 3.481 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636724 501690657 /nfs/dbraw/zinc/69/06/57/501690657.db2.gz AGEGRYHRZQMGSR-OAHLLOKOSA-N 1 2 374.359 3.481 20 5 FGBDLO COc1cc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000485475720 501832178 /nfs/dbraw/zinc/83/21/78/501832178.db2.gz OFPNXZIPLLKTNR-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO COc1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000485475720 501832183 /nfs/dbraw/zinc/83/21/83/501832183.db2.gz OFPNXZIPLLKTNR-SFHVURJKSA-N 1 2 369.421 3.231 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000478039572 501862829 /nfs/dbraw/zinc/86/28/29/501862829.db2.gz GGZUMLRGAAFQDE-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000478039572 501862832 /nfs/dbraw/zinc/86/28/32/501862832.db2.gz GGZUMLRGAAFQDE-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956735 501868395 /nfs/dbraw/zinc/86/83/95/501868395.db2.gz UHUZJZLMUUXEIH-WCBMZHEXSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956735 501868399 /nfs/dbraw/zinc/86/83/99/501868399.db2.gz UHUZJZLMUUXEIH-WCBMZHEXSA-N 1 2 365.739 3.459 20 5 FGBDLO CCOc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485720247 501914604 /nfs/dbraw/zinc/91/46/04/501914604.db2.gz XSXDACXYWBZTPY-UHFFFAOYSA-N 1 2 371.437 3.324 20 5 FGBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000471192455 501951677 /nfs/dbraw/zinc/95/16/77/501951677.db2.gz ZEBDHWQBBSJNFZ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000471192455 501951686 /nfs/dbraw/zinc/95/16/86/501951686.db2.gz ZEBDHWQBBSJNFZ-LBPRGKRZSA-N 1 2 362.817 3.411 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000478641647 502041946 /nfs/dbraw/zinc/04/19/46/502041946.db2.gz SWSJKGCUJHDLIR-UHFFFAOYSA-N 1 2 368.397 3.094 20 5 FGBDLO CN(C[C@H](O)COCc1ccccc1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599041861 506290207 /nfs/dbraw/zinc/29/02/07/506290207.db2.gz CPFMIYMDSLPRPH-KRWDZBQOSA-N 1 2 367.405 3.157 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccc(F)cc1 ZINC000472023497 502203203 /nfs/dbraw/zinc/20/32/03/502203203.db2.gz XRAAHCDOTJEOGN-UHFFFAOYSA-N 1 2 359.401 3.221 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000475638171 502238975 /nfs/dbraw/zinc/23/89/75/502238975.db2.gz INYTXHQVLLHBJD-UHFFFAOYSA-N 1 2 353.382 3.489 20 5 FGBDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1csc([N+](=O)[O-])c1 ZINC000462210438 502351685 /nfs/dbraw/zinc/35/16/85/502351685.db2.gz FVNBAJYLFAFKDE-UHFFFAOYSA-N 1 2 360.439 3.358 20 5 FGBDLO Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000483400553 502374678 /nfs/dbraw/zinc/37/46/78/502374678.db2.gz KTOGZWLUZWSZMC-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469438953 502418536 /nfs/dbraw/zinc/41/85/36/502418536.db2.gz QJJRHOCOHXLENA-HNNXBMFYSA-N 1 2 353.334 3.030 20 5 FGBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483545916 502427850 /nfs/dbraw/zinc/42/78/50/502427850.db2.gz BHZPMPHBUJJWMJ-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483545916 502427852 /nfs/dbraw/zinc/42/78/52/502427852.db2.gz BHZPMPHBUJJWMJ-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO Cn1c2ccccc2[nH+]c1CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488122719 502633573 /nfs/dbraw/zinc/63/35/73/502633573.db2.gz ZOYCZEHRLXAMFU-UHFFFAOYSA-N 1 2 361.405 3.496 20 5 FGBDLO CCc1cc(NC[C@H](C)C(=O)OC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462949794 502639614 /nfs/dbraw/zinc/63/96/14/502639614.db2.gz WPJOBYVMGZZSIY-ZDUSSCGKSA-N 1 2 372.425 3.036 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470123183 502668645 /nfs/dbraw/zinc/66/86/45/502668645.db2.gz DBLFWRNBLLJTFF-CYBMUJFWSA-N 1 2 373.388 3.040 20 5 FGBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000481067684 502746556 /nfs/dbraw/zinc/74/65/56/502746556.db2.gz GMTINDBYDQWCSY-UHFFFAOYSA-N 1 2 372.406 3.198 20 5 FGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000477363575 502754502 /nfs/dbraw/zinc/75/45/02/502754502.db2.gz SGTCBIQPZDWQIY-UHFFFAOYSA-N 1 2 358.785 3.443 20 5 FGBDLO Cn1c2ccc(CNc3c(Cl)cncc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000596268861 506335476 /nfs/dbraw/zinc/33/54/76/506335476.db2.gz LQDLLKNNASNLSN-UHFFFAOYSA-N 1 2 357.801 3.441 20 5 FGBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000512955871 502821593 /nfs/dbraw/zinc/82/15/93/502821593.db2.gz VAJGLNAJCQKICQ-UHFFFAOYSA-N 1 2 364.405 3.154 20 5 FGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505462395 502909268 /nfs/dbraw/zinc/90/92/68/502909268.db2.gz XGTZWCVWPMSQMW-MRXNPFEDSA-N 1 2 368.368 3.002 20 5 FGBDLO Cc1ccn2cc(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000489308000 502924509 /nfs/dbraw/zinc/92/45/09/502924509.db2.gz WLYVWRIATWVZHD-CQSZACIVSA-N 1 2 367.409 3.420 20 5 FGBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505544227 502932007 /nfs/dbraw/zinc/93/20/07/502932007.db2.gz ZXDPNYRLDOAEKF-SFHVURJKSA-N 1 2 368.368 3.002 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c(F)c1 ZINC000602900615 506343708 /nfs/dbraw/zinc/34/37/08/506343708.db2.gz DIJNJNLLAOUXON-KRWDZBQOSA-N 1 2 363.364 3.262 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905892 506344588 /nfs/dbraw/zinc/34/45/88/506344588.db2.gz VIMFVUPTBRSXOP-CYBMUJFWSA-N 1 2 372.400 3.336 20 5 FGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497567751 502989620 /nfs/dbraw/zinc/98/96/20/502989620.db2.gz LXVYULVYFUBUON-UHFFFAOYSA-N 1 2 370.796 3.423 20 5 FGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513661715 502994137 /nfs/dbraw/zinc/99/41/37/502994137.db2.gz PYYHMKDVMHVPQU-RTBURBONSA-N 1 2 366.421 3.395 20 5 FGBDLO Cc1ccc(OCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000513668072 502996520 /nfs/dbraw/zinc/99/65/20/502996520.db2.gz VKIFGEHTSPLVGR-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO O=C(C1CC[NH+](CC(F)F)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000502086531 503141745 /nfs/dbraw/zinc/14/17/45/503141745.db2.gz ARJQUIXZMIZXEB-UHFFFAOYSA-N 1 2 367.396 3.063 20 5 FGBDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304704 503154378 /nfs/dbraw/zinc/15/43/78/503154378.db2.gz RHHREQTZEUQQDE-CSMYWGQOSA-N 1 2 354.834 3.264 20 5 FGBDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498304704 503154381 /nfs/dbraw/zinc/15/43/81/503154381.db2.gz RHHREQTZEUQQDE-CSMYWGQOSA-N 1 2 354.834 3.264 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000599178202 506361297 /nfs/dbraw/zinc/36/12/97/506361297.db2.gz DGPUVLAJXWOBKN-UHFFFAOYSA-N 1 2 365.437 3.410 20 5 FGBDLO Cc1cc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491131732 503276810 /nfs/dbraw/zinc/27/68/10/503276810.db2.gz MVTXOQOOUPRGNX-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO Cc1cc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491131732 503276811 /nfs/dbraw/zinc/27/68/11/503276811.db2.gz MVTXOQOOUPRGNX-LJQANCHMSA-N 1 2 360.385 3.495 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491268027 503291503 /nfs/dbraw/zinc/29/15/03/503291503.db2.gz NWTBPKKHTQUTSW-LLVKDONJSA-N 1 2 368.231 3.028 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491268027 503291504 /nfs/dbraw/zinc/29/15/04/503291504.db2.gz NWTBPKKHTQUTSW-LLVKDONJSA-N 1 2 368.231 3.028 20 5 FGBDLO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492469936 503371135 /nfs/dbraw/zinc/37/11/35/503371135.db2.gz ZDDTUGATORQOTK-INIZCTEOSA-N 1 2 354.341 3.319 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000492698899 503381750 /nfs/dbraw/zinc/38/17/50/503381750.db2.gz DDYJFEQGCBKHBD-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CCCCC1 ZINC000492698899 503381753 /nfs/dbraw/zinc/38/17/53/503381753.db2.gz DDYJFEQGCBKHBD-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062882 506368056 /nfs/dbraw/zinc/36/80/56/506368056.db2.gz KEZXOQSIYCDZJR-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593062882 506368064 /nfs/dbraw/zinc/36/80/64/506368064.db2.gz KEZXOQSIYCDZJR-CMPLNLGQSA-N 1 2 360.357 3.204 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492749097 503382921 /nfs/dbraw/zinc/38/29/21/503382921.db2.gz NPKLADWLKWJXPS-SFHVURJKSA-N 1 2 369.421 3.057 20 5 FGBDLO CCOc1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492749097 503382926 /nfs/dbraw/zinc/38/29/26/503382926.db2.gz NPKLADWLKWJXPS-SFHVURJKSA-N 1 2 369.421 3.057 20 5 FGBDLO COc1cc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492878422 503391025 /nfs/dbraw/zinc/39/10/25/503391025.db2.gz WFLUUDFLTJOQNR-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO COc1cc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492878422 503391029 /nfs/dbraw/zinc/39/10/29/503391029.db2.gz WFLUUDFLTJOQNR-UHFFFAOYSA-N 1 2 363.458 3.072 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000493442427 503426814 /nfs/dbraw/zinc/42/68/14/503426814.db2.gz LSKUGJUALASSDG-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000493442427 503426818 /nfs/dbraw/zinc/42/68/18/503426818.db2.gz LSKUGJUALASSDG-UHFFFAOYSA-N 1 2 352.847 3.417 20 5 FGBDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000533271481 503786653 /nfs/dbraw/zinc/78/66/53/503786653.db2.gz QRDRZQLDAQNEDR-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000533271481 503786660 /nfs/dbraw/zinc/78/66/60/503786660.db2.gz QRDRZQLDAQNEDR-UHFFFAOYSA-N 1 2 369.421 3.299 20 5 FGBDLO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000543547938 503808771 /nfs/dbraw/zinc/80/87/71/503808771.db2.gz HGGJVGCESLCYOT-AWEZNQCLSA-N 1 2 368.393 3.298 20 5 FGBDLO Cc1c(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000533497997 503865638 /nfs/dbraw/zinc/86/56/38/503865638.db2.gz WEICZXDZZFPPOX-IBGZPJMESA-N 1 2 364.405 3.085 20 5 FGBDLO CCc1ccc([C@H](CO)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000543840161 503910080 /nfs/dbraw/zinc/91/00/80/503910080.db2.gz PQHYEDZOQYBFRA-KRWDZBQOSA-N 1 2 368.393 3.030 20 5 FGBDLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518405176 503975932 /nfs/dbraw/zinc/97/59/32/503975932.db2.gz RHWZIBPYUXQJIP-YJYMSZOUSA-N 1 2 362.389 3.444 20 5 FGBDLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518405175 503975997 /nfs/dbraw/zinc/97/59/97/503975997.db2.gz RHWZIBPYUXQJIP-ORAYPTAESA-N 1 2 362.389 3.444 20 5 FGBDLO COc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000541143872 504021426 /nfs/dbraw/zinc/02/14/26/504021426.db2.gz PZGMVQXFCTXHGY-INIZCTEOSA-N 1 2 363.801 3.498 20 5 FGBDLO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1Cl ZINC000534868824 504265162 /nfs/dbraw/zinc/26/51/62/504265162.db2.gz LYWBMYSVOXSVLO-UHFFFAOYSA-N 1 2 367.808 3.461 20 5 FGBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(F)cccc1Cl ZINC000534868824 504265165 /nfs/dbraw/zinc/26/51/65/504265165.db2.gz LYWBMYSVOXSVLO-UHFFFAOYSA-N 1 2 367.808 3.461 20 5 FGBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(Cl)cccc1Cl ZINC000534871135 504266264 /nfs/dbraw/zinc/26/62/64/504266264.db2.gz CAQPNXHPTOFVTD-UHFFFAOYSA-N 1 2 356.209 3.195 20 5 FGBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c(Cl)cccc1Cl ZINC000534871135 504266269 /nfs/dbraw/zinc/26/62/69/504266269.db2.gz CAQPNXHPTOFVTD-UHFFFAOYSA-N 1 2 356.209 3.195 20 5 FGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000541875288 504286280 /nfs/dbraw/zinc/28/62/80/504286280.db2.gz VUMXWHILZCIIKN-CYBMUJFWSA-N 1 2 355.398 3.324 20 5 FGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2c[nH+]cn2C)no1 ZINC000545138259 504371004 /nfs/dbraw/zinc/37/10/04/504371004.db2.gz RWHMJFFDBBTMLL-SECBINFHSA-N 1 2 363.761 3.096 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC12CCC2 ZINC000538932963 504421022 /nfs/dbraw/zinc/42/10/22/504421022.db2.gz SXNSAZHAWYTNCQ-CQSZACIVSA-N 1 2 354.410 3.433 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000520307211 504461286 /nfs/dbraw/zinc/46/12/86/504461286.db2.gz GULSAAMKHXDVRP-UHFFFAOYSA-N 1 2 371.441 3.152 20 5 FGBDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000545499543 504506698 /nfs/dbraw/zinc/50/66/98/504506698.db2.gz DEYCPQWNDCKEOA-UHFFFAOYSA-N 1 2 354.366 3.154 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535695744 504510189 /nfs/dbraw/zinc/51/01/89/504510189.db2.gz CLXFTOAOHRKJDX-UHFFFAOYSA-N 1 2 365.393 3.001 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4cn5ccccc5[nH+]4)no3)c2c1 ZINC000545628153 504547554 /nfs/dbraw/zinc/54/75/54/504547554.db2.gz JUFZVXICMMSEFQ-UHFFFAOYSA-N 1 2 374.360 3.288 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@]1=O ZINC000521477357 504744866 /nfs/dbraw/zinc/74/48/66/504744866.db2.gz IHTLYMPBSVJQKI-SFDCACGMSA-N 1 2 350.465 3.276 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@]1=O ZINC000521477357 504744869 /nfs/dbraw/zinc/74/48/69/504744869.db2.gz IHTLYMPBSVJQKI-SFDCACGMSA-N 1 2 350.465 3.276 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000559186064 504798182 /nfs/dbraw/zinc/79/81/82/504798182.db2.gz DEFFQTOFZOPZLS-CYBMUJFWSA-N 1 2 372.299 3.022 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556630 504849291 /nfs/dbraw/zinc/84/92/91/504849291.db2.gz ZTKOCLHWHMFSLF-DNVCBOLYSA-N 1 2 355.438 3.301 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556630 504849296 /nfs/dbraw/zinc/84/92/96/504849296.db2.gz ZTKOCLHWHMFSLF-DNVCBOLYSA-N 1 2 355.438 3.301 20 5 FGBDLO C[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000565344336 504859810 /nfs/dbraw/zinc/85/98/10/504859810.db2.gz HQLRQUYGDCRCAN-CQSZACIVSA-N 1 2 374.462 3.160 20 5 FGBDLO C[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000565344336 504859813 /nfs/dbraw/zinc/85/98/13/504859813.db2.gz HQLRQUYGDCRCAN-CQSZACIVSA-N 1 2 374.462 3.160 20 5 FGBDLO Cc1cc(N2CC[C@H](COC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000553306037 504878456 /nfs/dbraw/zinc/87/84/56/504878456.db2.gz SFXWVEGIXWYTDG-LBPRGKRZSA-N 1 2 364.352 3.426 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000556529914 504897396 /nfs/dbraw/zinc/89/73/96/504897396.db2.gz IYVOYFYCSDJLEF-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000549925894 504936204 /nfs/dbraw/zinc/93/62/04/504936204.db2.gz DAAKATCKKPDAKT-UHFFFAOYSA-N 1 2 370.331 3.353 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000557399284 505125865 /nfs/dbraw/zinc/12/58/65/505125865.db2.gz LMNOPIZRLLMWKW-HNNXBMFYSA-N 1 2 357.385 3.470 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000557399284 505125869 /nfs/dbraw/zinc/12/58/69/505125869.db2.gz LMNOPIZRLLMWKW-HNNXBMFYSA-N 1 2 357.385 3.470 20 5 FGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000560622277 505146744 /nfs/dbraw/zinc/14/67/44/505146744.db2.gz IPIFQPYHVFTMHJ-ONEGZZNKSA-N 1 2 369.396 3.205 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000557512876 505153846 /nfs/dbraw/zinc/15/38/46/505153846.db2.gz RSXNOYDJRBLZMJ-LBPRGKRZSA-N 1 2 370.331 3.023 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000563709862 505217076 /nfs/dbraw/zinc/21/70/76/505217076.db2.gz UWKXHOOBCZWKBN-HNNXBMFYSA-N 1 2 356.407 3.424 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000558249496 505344378 /nfs/dbraw/zinc/34/43/78/505344378.db2.gz GFWCJCMISUXGLY-UHFFFAOYSA-N 1 2 359.385 3.015 20 5 FGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000555427555 505430244 /nfs/dbraw/zinc/43/02/44/505430244.db2.gz ANBUAURUSGREKA-LLVKDONJSA-N 1 2 360.254 3.359 20 5 FGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000555427555 505430247 /nfs/dbraw/zinc/43/02/47/505430247.db2.gz ANBUAURUSGREKA-LLVKDONJSA-N 1 2 360.254 3.359 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229572 505434674 /nfs/dbraw/zinc/43/46/74/505434674.db2.gz LHBUXKCJFHUMGP-SHTZXODSSA-N 1 2 354.410 3.451 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522828 505508043 /nfs/dbraw/zinc/50/80/43/505508043.db2.gz HYTAUMPDVXCXHL-GIZXNFQBSA-N 1 2 353.426 3.483 20 5 FGBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522828 505508048 /nfs/dbraw/zinc/50/80/48/505508048.db2.gz HYTAUMPDVXCXHL-GIZXNFQBSA-N 1 2 353.426 3.483 20 5 FGBDLO Cc1cc(N2CCCC[C@@H]2[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596436457 506403542 /nfs/dbraw/zinc/40/35/42/506403542.db2.gz RWVKUAZFLWONMJ-SUMWQHHRSA-N 1 2 356.426 3.348 20 5 FGBDLO CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000612064619 506417957 /nfs/dbraw/zinc/41/79/57/506417957.db2.gz MYTNCYNEGSRWPB-UHFFFAOYSA-N 1 2 364.352 3.478 20 5 FGBDLO Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000603908970 506655160 /nfs/dbraw/zinc/65/51/60/506655160.db2.gz KJDLHAROWFCHCZ-UHFFFAOYSA-N 1 2 368.437 3.465 20 5 FGBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593739989 506756063 /nfs/dbraw/zinc/75/60/63/506756063.db2.gz FFLSBNBYIHKBFD-INIZCTEOSA-N 1 2 368.437 3.076 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203444 506812730 /nfs/dbraw/zinc/81/27/30/506812730.db2.gz BKBRQARWTLZELY-QGZVFWFLSA-N 1 2 363.458 3.215 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609203444 506812737 /nfs/dbraw/zinc/81/27/37/506812737.db2.gz BKBRQARWTLZELY-QGZVFWFLSA-N 1 2 363.458 3.215 20 5 FGBDLO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nncn1C ZINC000609222857 506818306 /nfs/dbraw/zinc/81/83/06/506818306.db2.gz LQKRRMBQMALQQC-CQSZACIVSA-N 1 2 366.425 3.342 20 5 FGBDLO CC(C)c1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000597246048 506858390 /nfs/dbraw/zinc/85/83/90/506858390.db2.gz HYWOPZAVNIQHFE-UHFFFAOYSA-N 1 2 353.422 3.375 20 5 FGBDLO CC(C)c1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000597246048 506858397 /nfs/dbraw/zinc/85/83/97/506858397.db2.gz HYWOPZAVNIQHFE-UHFFFAOYSA-N 1 2 353.422 3.375 20 5 FGBDLO CNC(=O)C[N@H+](C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000597249791 506860320 /nfs/dbraw/zinc/86/03/20/506860320.db2.gz LRAIAQWSQZRLKW-UHFFFAOYSA-N 1 2 359.451 3.232 20 5 FGBDLO CNC(=O)C[N@@H+](C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000597249791 506860325 /nfs/dbraw/zinc/86/03/25/506860325.db2.gz LRAIAQWSQZRLKW-UHFFFAOYSA-N 1 2 359.451 3.232 20 5 FGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623000 506951018 /nfs/dbraw/zinc/95/10/18/506951018.db2.gz CDMHJSFVGPZWGQ-SNVBAGLBSA-N 1 2 360.757 3.302 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609669287 506967453 /nfs/dbraw/zinc/96/74/53/506967453.db2.gz SFPUSNVWFHILJE-UHFFFAOYSA-N 1 2 361.361 3.192 20 5 FGBDLO C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610190619 507132428 /nfs/dbraw/zinc/13/24/28/507132428.db2.gz QXWQUVBTJZEGTB-ICSRJNTNSA-N 1 2 362.389 3.241 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)o2)c1 ZINC000594509881 507161429 /nfs/dbraw/zinc/16/14/29/507161429.db2.gz JCMJAXJPNWDPND-MRXNPFEDSA-N 1 2 369.381 3.114 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594520837 507170132 /nfs/dbraw/zinc/17/01/32/507170132.db2.gz PZFKAHHMIYSRBF-MSOLQXFVSA-N 1 2 370.453 3.499 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000594521911 507170615 /nfs/dbraw/zinc/17/06/15/507170615.db2.gz VPVFMHFZCDPIGI-MSOLQXFVSA-N 1 2 370.453 3.499 20 5 FGBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000597941896 507190291 /nfs/dbraw/zinc/19/02/91/507190291.db2.gz SCILNCCBMAEFLY-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601299506 507327219 /nfs/dbraw/zinc/32/72/19/507327219.db2.gz MPLXLRSNRWRUHE-KRWDZBQOSA-N 1 2 352.398 3.063 20 5 FGBDLO COc1ccnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1F ZINC000594977932 507340237 /nfs/dbraw/zinc/34/02/37/507340237.db2.gz NQISOIRBNYSKJB-UHFFFAOYSA-N 1 2 357.288 3.029 20 5 FGBDLO CCOC(=O)c1cc(NCCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000610716212 507362056 /nfs/dbraw/zinc/36/20/56/507362056.db2.gz MYNKOGSCWFBNAJ-UHFFFAOYSA-N 1 2 368.393 3.382 20 5 FGBDLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601534820 507381473 /nfs/dbraw/zinc/38/14/73/507381473.db2.gz LHUIUTUKYYUXJU-GOSISDBHSA-N 1 2 367.405 3.091 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)c1 ZINC000610786221 507389674 /nfs/dbraw/zinc/38/96/74/507389674.db2.gz NBPCIGIZCIIASC-UHFFFAOYSA-N 1 2 355.442 3.229 20 5 FGBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000598438221 507427578 /nfs/dbraw/zinc/42/75/78/507427578.db2.gz SBBVMTULMQTVLX-SFHVURJKSA-N 1 2 372.425 3.106 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1OC(F)F ZINC000595295905 507451265 /nfs/dbraw/zinc/45/12/65/507451265.db2.gz HJSWEHUTNYKDDK-UHFFFAOYSA-N 1 2 357.313 3.133 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1OC(F)F ZINC000595295905 507451270 /nfs/dbraw/zinc/45/12/70/507451270.db2.gz HJSWEHUTNYKDDK-UHFFFAOYSA-N 1 2 357.313 3.133 20 5 FGBDLO Cc1noc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000595517854 507540514 /nfs/dbraw/zinc/54/05/14/507540514.db2.gz FVIOPIMFINZJFH-AWEZNQCLSA-N 1 2 360.197 3.195 20 5 FGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2cccs2)CC1 ZINC000611195037 507556962 /nfs/dbraw/zinc/55/69/62/507556962.db2.gz AJIWHJKTCKGXDJ-UHFFFAOYSA-N 1 2 370.434 3.096 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611272040 507597153 /nfs/dbraw/zinc/59/71/53/507597153.db2.gz OTVUKOONLNPDBQ-INIZCTEOSA-N 1 2 355.394 3.407 20 5 FGBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000611272040 507597158 /nfs/dbraw/zinc/59/71/58/507597158.db2.gz OTVUKOONLNPDBQ-INIZCTEOSA-N 1 2 355.394 3.407 20 5 FGBDLO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000592520763 507693240 /nfs/dbraw/zinc/69/32/40/507693240.db2.gz QTSSMRBLMRWPAD-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000592520763 507693244 /nfs/dbraw/zinc/69/32/44/507693244.db2.gz QTSSMRBLMRWPAD-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051157 507705754 /nfs/dbraw/zinc/70/57/54/507705754.db2.gz HSMNKWBDTAGDRU-GFCCVEGCSA-N 1 2 360.439 3.037 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595866560 507719022 /nfs/dbraw/zinc/71/90/22/507719022.db2.gz JDFFNRNODTUXLV-KRWDZBQOSA-N 1 2 366.364 3.483 20 5 FGBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889964 507730223 /nfs/dbraw/zinc/73/02/23/507730223.db2.gz JZFNEODUFBWBGE-SWLSCSKDSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889964 507730218 /nfs/dbraw/zinc/73/02/18/507730218.db2.gz JZFNEODUFBWBGE-SWLSCSKDSA-N 1 2 362.348 3.405 20 5 FGBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000611560906 507739781 /nfs/dbraw/zinc/73/97/81/507739781.db2.gz BXXWHURQXGCFGL-BEFAXECRSA-N 1 2 366.421 3.475 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151572287 704929016 /nfs/dbraw/zinc/92/90/16/704929016.db2.gz FMVWFPBKCUSDRI-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151572287 704929018 /nfs/dbraw/zinc/92/90/18/704929018.db2.gz FMVWFPBKCUSDRI-SECBINFHSA-N 1 2 361.349 3.104 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000247264240 713638226 /nfs/dbraw/zinc/63/82/26/713638226.db2.gz RUVNNMXJRKLDRI-BXUZGUMPSA-N 1 2 367.452 3.036 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000247264240 713638230 /nfs/dbraw/zinc/63/82/30/713638230.db2.gz RUVNNMXJRKLDRI-BXUZGUMPSA-N 1 2 367.452 3.036 20 5 FGBDLO CCc1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000784201154 724832041 /nfs/dbraw/zinc/83/20/41/724832041.db2.gz QSTDKAXWJRWLFY-UHFFFAOYSA-N 1 2 358.379 3.156 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000761514446 723161453 /nfs/dbraw/zinc/16/14/53/723161453.db2.gz JIQGHPGLDYQUQF-LSDHHAIUSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000761514446 723161456 /nfs/dbraw/zinc/16/14/56/723161456.db2.gz JIQGHPGLDYQUQF-LSDHHAIUSA-N 1 2 353.850 3.470 20 5 FGBDLO O=C(OCC(Cl)(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000763019319 723303389 /nfs/dbraw/zinc/30/33/89/723303389.db2.gz BNSPHQDTVFCMBX-UHFFFAOYSA-N 1 2 364.572 3.308 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000792900442 723379307 /nfs/dbraw/zinc/37/93/07/723379307.db2.gz WHVQGXZGJDKARO-NSHDSACASA-N 1 2 355.232 3.285 20 5 FGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000792900442 723379309 /nfs/dbraw/zinc/37/93/09/723379309.db2.gz WHVQGXZGJDKARO-NSHDSACASA-N 1 2 355.232 3.285 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1C ZINC000764522235 723421715 /nfs/dbraw/zinc/42/17/15/723421715.db2.gz DETNUPKYYMAZPU-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(c2ccsc2)CC1 ZINC000794644046 723537624 /nfs/dbraw/zinc/53/76/24/723537624.db2.gz XGTSVQUEYNNCNV-UHFFFAOYSA-N 1 2 359.407 3.401 20 5 FGBDLO C[C@@H]1CCC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795400800 723588225 /nfs/dbraw/zinc/58/82/25/723588225.db2.gz MKIOOWJCZAKWMU-SNVBAGLBSA-N 1 2 368.231 3.003 20 5 FGBDLO C[C@@H]1CCC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795400800 723588230 /nfs/dbraw/zinc/58/82/30/723588230.db2.gz MKIOOWJCZAKWMU-SNVBAGLBSA-N 1 2 368.231 3.003 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c(Br)c1 ZINC000798395527 723928567 /nfs/dbraw/zinc/92/85/67/723928567.db2.gz JLMREYGAZDRYOV-UHFFFAOYSA-N 1 2 351.204 3.464 20 5 FGBDLO Cn1nc(Br)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000787088943 725016075 /nfs/dbraw/zinc/01/60/75/725016075.db2.gz XWYDKIRDGWSDDB-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO Cn1nc(Br)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000787088943 725016077 /nfs/dbraw/zinc/01/60/77/725016077.db2.gz XWYDKIRDGWSDDB-UHFFFAOYSA-N 1 2 365.231 3.255 20 5 FGBDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825975859 729401297 /nfs/dbraw/zinc/40/12/97/729401297.db2.gz ADOJDSXUUGCNCA-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825975859 729401298 /nfs/dbraw/zinc/40/12/98/729401298.db2.gz ADOJDSXUUGCNCA-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO O=C(C[NH+]1CCC(OC2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842159098 730302873 /nfs/dbraw/zinc/30/28/73/730302873.db2.gz BUNMRSXOKVDKSE-UHFFFAOYSA-N 1 2 367.833 3.220 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Br)cn1 ZINC000865810899 733274521 /nfs/dbraw/zinc/27/45/21/733274521.db2.gz KJGJVVPUHJIDMA-UHFFFAOYSA-N 1 2 366.215 3.441 20 5 FGBDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866620425 733374826 /nfs/dbraw/zinc/37/48/26/733374826.db2.gz MSAWDVQPHAQSIH-SSDOTTSWSA-N 1 2 357.233 3.247 20 5 FGBDLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878121205 736776213 /nfs/dbraw/zinc/77/62/13/736776213.db2.gz PGQVULPNLPPSRC-VIFPVBQESA-N 1 2 354.819 3.236 20 5 FGBDLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878121205 736776217 /nfs/dbraw/zinc/77/62/17/736776217.db2.gz PGQVULPNLPPSRC-VIFPVBQESA-N 1 2 354.819 3.236 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000880003251 737096523 /nfs/dbraw/zinc/09/65/23/737096523.db2.gz CKNBZQVACWHNDY-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000880003251 737096530 /nfs/dbraw/zinc/09/65/30/737096530.db2.gz CKNBZQVACWHNDY-AWEZNQCLSA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886811359 739305063 /nfs/dbraw/zinc/30/50/63/739305063.db2.gz QMUQHAYZQPRRMV-LBPRGKRZSA-N 1 2 372.265 3.360 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886811359 739305068 /nfs/dbraw/zinc/30/50/68/739305068.db2.gz QMUQHAYZQPRRMV-LBPRGKRZSA-N 1 2 372.265 3.360 20 5 FGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000888285030 739496174 /nfs/dbraw/zinc/49/61/74/739496174.db2.gz SFMOJBZMXZNVAD-UHFFFAOYSA-N 1 2 351.794 3.307 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000896654937 742578315 /nfs/dbraw/zinc/57/83/15/742578315.db2.gz RISIZDNWQWBDGT-UHFFFAOYSA-N 1 2 355.423 3.497 20 5 FGBDLO CCn1c[nH+]c2c1CCN(c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000896660126 742578794 /nfs/dbraw/zinc/57/87/94/742578794.db2.gz RCKAGMLZNCTRHV-UHFFFAOYSA-N 1 2 351.204 3.136 20 5 FGBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc([N+](=O)[O-])c1 ZINC000903335633 743838517 /nfs/dbraw/zinc/83/85/17/743838517.db2.gz CVRISHUBHIGVFX-SECBINFHSA-N 1 2 358.320 3.207 20 5 FGBDLO C[C@@H](CC(=O)OCc1c(Br)cccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000909412915 744362018 /nfs/dbraw/zinc/36/20/18/744362018.db2.gz NVYOBJFSWNGVMU-JTQLQIEISA-N 1 2 368.187 3.248 20 5 FGBDLO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000919953898 758493273 /nfs/dbraw/zinc/49/32/73/758493273.db2.gz PAJKOHLILCHWNO-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC(C)[N@H+](Cc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000919953898 758493278 /nfs/dbraw/zinc/49/32/78/758493278.db2.gz PAJKOHLILCHWNO-UHFFFAOYSA-N 1 2 353.220 3.422 20 5 FGBDLO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1O ZINC000930547388 760637631 /nfs/dbraw/zinc/63/76/31/760637631.db2.gz RASGRBWHYVFWRW-DZGCQCFKSA-N 1 2 352.387 3.158 20 5 FGBDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000022089757 220376607 /nfs/dbraw/zinc/37/66/07/220376607.db2.gz YRCPSEYZVQQURE-QMMMGPOBSA-N 1 2 367.818 3.048 20 5 FGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000032810829 257336908 /nfs/dbraw/zinc/33/69/08/257336908.db2.gz FZDZYFCUVNMCDD-LJQANCHMSA-N 1 2 369.421 3.040 20 5 FGBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000573934433 505655498 /nfs/dbraw/zinc/65/54/98/505655498.db2.gz XDXRPVBYJGDHSV-UHFFFAOYSA-N 1 2 374.416 3.319 20 5 FGBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075717636 493771991 /nfs/dbraw/zinc/77/19/91/493771991.db2.gz FNKMLKXZXFSBSZ-UHFFFAOYSA-N 1 2 360.801 3.173 20 5 FGBDLO Cc1c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000076512864 493912002 /nfs/dbraw/zinc/91/20/02/493912002.db2.gz FEAWDMSHQHHDFW-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788472 494042788 /nfs/dbraw/zinc/04/27/88/494042788.db2.gz DITIERYGHHLQFV-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007788472 494042792 /nfs/dbraw/zinc/04/27/92/494042792.db2.gz DITIERYGHHLQFV-UHFFFAOYSA-N 1 2 373.384 3.346 20 5 FGBDLO C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070727989 494051775 /nfs/dbraw/zinc/05/17/75/494051775.db2.gz FWSULEFFGXUDFH-GFCCVEGCSA-N 1 2 366.381 3.200 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063542049 494063322 /nfs/dbraw/zinc/06/33/22/494063322.db2.gz FJPSCMCMWSJXLT-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000087219165 494184125 /nfs/dbraw/zinc/18/41/25/494184125.db2.gz HYDDTMWIQMXUKA-UHFFFAOYSA-N 1 2 368.437 3.050 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043149376 494271129 /nfs/dbraw/zinc/27/11/29/494271129.db2.gz XQWSHCUFGQQDDW-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO CC(C)NC(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000078615868 494330896 /nfs/dbraw/zinc/33/08/96/494330896.db2.gz LXAUAICLWHAGSI-UHFFFAOYSA-N 1 2 371.441 3.432 20 5 FGBDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000016564670 494394194 /nfs/dbraw/zinc/39/41/94/494394194.db2.gz QCGCKMMQLCWUER-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000067166047 494488445 /nfs/dbraw/zinc/48/84/45/494488445.db2.gz RFACFROTNZKQCD-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000574229758 505724992 /nfs/dbraw/zinc/72/49/92/505724992.db2.gz QSLKAOPCYCNVMN-AWEZNQCLSA-N 1 2 356.426 3.256 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000021919858 494511564 /nfs/dbraw/zinc/51/15/64/494511564.db2.gz JFNAHZCQGNQFDQ-LBPRGKRZSA-N 1 2 361.373 3.202 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000021919858 494511567 /nfs/dbraw/zinc/51/15/67/494511567.db2.gz JFNAHZCQGNQFDQ-LBPRGKRZSA-N 1 2 361.373 3.202 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289522 494519918 /nfs/dbraw/zinc/51/99/18/494519918.db2.gz GFOKMDDJDUNSEF-UHFFFAOYSA-N 1 2 360.439 3.218 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000046940737 494592127 /nfs/dbraw/zinc/59/21/27/494592127.db2.gz STMNUHAZJHSEDL-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO COc1cc[nH+]cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000131387791 494602632 /nfs/dbraw/zinc/60/26/32/494602632.db2.gz OVSYHUBFJNBRQL-UHFFFAOYSA-N 1 2 370.409 3.487 20 5 FGBDLO COc1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000126195479 494667433 /nfs/dbraw/zinc/66/74/33/494667433.db2.gz QMEDQVNJEXAVMJ-UHFFFAOYSA-N 1 2 366.361 3.093 20 5 FGBDLO Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080552650 494733173 /nfs/dbraw/zinc/73/31/73/494733173.db2.gz LUZVSDREDRBXBT-UHFFFAOYSA-N 1 2 362.817 3.400 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025421833 494737934 /nfs/dbraw/zinc/73/79/34/494737934.db2.gz BBHJHHNMGWJIKF-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091987200 494745587 /nfs/dbraw/zinc/74/55/87/494745587.db2.gz QKZBGGMBNGEWNU-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091987200 494745593 /nfs/dbraw/zinc/74/55/93/494745593.db2.gz QKZBGGMBNGEWNU-CYBMUJFWSA-N 1 2 358.398 3.020 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000108639136 494755361 /nfs/dbraw/zinc/75/53/61/494755361.db2.gz GRYUFKXNTSXACA-UHFFFAOYSA-N 1 2 372.406 3.105 20 5 FGBDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744488 494770632 /nfs/dbraw/zinc/77/06/32/494770632.db2.gz GAAOWHZFCQPDBX-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000025751674 494775970 /nfs/dbraw/zinc/77/59/70/494775970.db2.gz LBNMRLTYXNELGN-UHFFFAOYSA-N 1 2 359.401 3.060 20 5 FGBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026758937 494836871 /nfs/dbraw/zinc/83/68/71/494836871.db2.gz PAIBMHAVVRALQM-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027475010 494869777 /nfs/dbraw/zinc/86/97/77/494869777.db2.gz TZSXLCOOJXAGIH-LBPRGKRZSA-N 1 2 357.435 3.165 20 5 FGBDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027475010 494869780 /nfs/dbraw/zinc/86/97/80/494869780.db2.gz TZSXLCOOJXAGIH-LBPRGKRZSA-N 1 2 357.435 3.165 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000093385495 494882427 /nfs/dbraw/zinc/88/24/27/494882427.db2.gz HXWLBHKJUXFXCH-KRWDZBQOSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000093385495 494882431 /nfs/dbraw/zinc/88/24/31/494882431.db2.gz HXWLBHKJUXFXCH-KRWDZBQOSA-N 1 2 357.385 3.280 20 5 FGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000093608105 494902287 /nfs/dbraw/zinc/90/22/87/494902287.db2.gz KBFBRCMRANLBQB-KSSFIOAISA-N 1 2 369.421 3.269 20 5 FGBDLO CCc1cc(N(C)CCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133029736 494958372 /nfs/dbraw/zinc/95/83/72/494958372.db2.gz OSOKVQGFDZTPNK-UHFFFAOYSA-N 1 2 366.425 3.337 20 5 FGBDLO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000118848272 495047788 /nfs/dbraw/zinc/04/77/88/495047788.db2.gz BAMNULPCQIIWNX-UHFFFAOYSA-N 1 2 354.819 3.168 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000123283949 495108608 /nfs/dbraw/zinc/10/86/08/495108608.db2.gz HOPSDNITZBGKMB-ZIAGYGMSSA-N 1 2 352.398 3.291 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000128619558 495125360 /nfs/dbraw/zinc/12/53/60/495125360.db2.gz JECAAAHSGIOTIZ-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000119427401 495164988 /nfs/dbraw/zinc/16/49/88/495164988.db2.gz BHFHQTZYFLEPSM-UHFFFAOYSA-N 1 2 362.426 3.387 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000119427401 495164992 /nfs/dbraw/zinc/16/49/92/495164992.db2.gz BHFHQTZYFLEPSM-UHFFFAOYSA-N 1 2 362.426 3.387 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000102929094 495174212 /nfs/dbraw/zinc/17/42/12/495174212.db2.gz PHSFWPPIHUSUCY-OAHLLOKOSA-N 1 2 369.377 3.099 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000102929094 495174214 /nfs/dbraw/zinc/17/42/14/495174214.db2.gz PHSFWPPIHUSUCY-OAHLLOKOSA-N 1 2 369.377 3.099 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000119522071 495182343 /nfs/dbraw/zinc/18/23/43/495182343.db2.gz CRIQKUBEFJQESH-GFCCVEGCSA-N 1 2 362.817 3.077 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103975134 495263360 /nfs/dbraw/zinc/26/33/60/495263360.db2.gz XLVSQAZECIJKTM-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCCc1ccccc1 ZINC000135217999 495263853 /nfs/dbraw/zinc/26/38/53/495263853.db2.gz MWPRKNFHDKGEFO-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCCc1ccccc1 ZINC000135217999 495263858 /nfs/dbraw/zinc/26/38/58/495263858.db2.gz MWPRKNFHDKGEFO-UHFFFAOYSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119943146 495274517 /nfs/dbraw/zinc/27/45/17/495274517.db2.gz KFXAYXZXACJWQL-CQSZACIVSA-N 1 2 355.398 3.007 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130091541 495340081 /nfs/dbraw/zinc/34/00/81/495340081.db2.gz NYBMHPYPRXZLNL-UHFFFAOYSA-N 1 2 373.372 3.259 20 5 FGBDLO COCCOc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000124781099 495342771 /nfs/dbraw/zinc/34/27/71/495342771.db2.gz FHXSXAAARWQPGE-UHFFFAOYSA-N 1 2 372.421 3.187 20 5 FGBDLO COCCOc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000124781099 495342775 /nfs/dbraw/zinc/34/27/75/495342775.db2.gz FHXSXAAARWQPGE-UHFFFAOYSA-N 1 2 372.421 3.187 20 5 FGBDLO C[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113330 495424479 /nfs/dbraw/zinc/42/44/79/495424479.db2.gz VSLVVXAWYXOIRQ-HUUCEWRRSA-N 1 2 371.441 3.054 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000138890723 495469109 /nfs/dbraw/zinc/46/91/09/495469109.db2.gz BJQYBWPFGSJICI-QGZVFWFLSA-N 1 2 371.393 3.085 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000138890723 495469114 /nfs/dbraw/zinc/46/91/14/495469114.db2.gz BJQYBWPFGSJICI-QGZVFWFLSA-N 1 2 371.393 3.085 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000158542285 495534811 /nfs/dbraw/zinc/53/48/11/495534811.db2.gz YBRWQXKVJAASDG-RHSMWYFYSA-N 1 2 370.409 3.222 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000176182376 495535396 /nfs/dbraw/zinc/53/53/96/495535396.db2.gz CBVWFMFTWNVWKU-CQSZACIVSA-N 1 2 367.409 3.420 20 5 FGBDLO O=c1cc(C[NH2+]Cc2nnc3n2CCCC3)c2c(ccc3ccccc32)o1 ZINC000173633664 495624175 /nfs/dbraw/zinc/62/41/75/495624175.db2.gz ZJVFUJALUCUZLB-UHFFFAOYSA-N 1 2 360.417 3.164 20 5 FGBDLO Cc1cccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000176482242 495666382 /nfs/dbraw/zinc/66/63/82/495666382.db2.gz LQFYJDUWKZHFSJ-UHFFFAOYSA-N 1 2 364.405 3.272 20 5 FGBDLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173770123 495683803 /nfs/dbraw/zinc/68/38/03/495683803.db2.gz ZJAAGXWBIUHGTR-UHFFFAOYSA-N 1 2 365.739 3.461 20 5 FGBDLO C[S@@](=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000159580672 495762938 /nfs/dbraw/zinc/76/29/38/495762938.db2.gz OUSGEOXRVKWCPG-HJPURHCSSA-N 1 2 352.843 3.458 20 5 FGBDLO COc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000186064476 495842877 /nfs/dbraw/zinc/84/28/77/495842877.db2.gz NVUPBGLEFGQIET-UHFFFAOYSA-N 1 2 370.340 3.489 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000176935286 495848164 /nfs/dbraw/zinc/84/81/64/495848164.db2.gz PWNZHNXTMGQFGQ-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017916 495885107 /nfs/dbraw/zinc/88/51/07/495885107.db2.gz TXTPHOSBOGJOMM-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017916 495885110 /nfs/dbraw/zinc/88/51/10/495885110.db2.gz TXTPHOSBOGJOMM-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N)[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000151693297 495920758 /nfs/dbraw/zinc/92/07/58/495920758.db2.gz CPTRGQNBJGYOSW-BETUJISGSA-N 1 2 369.425 3.307 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186500060 496021078 /nfs/dbraw/zinc/02/10/78/496021078.db2.gz TUNAVWBUENUBKD-UHFFFAOYSA-N 1 2 368.437 3.268 20 5 FGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000180778185 496142530 /nfs/dbraw/zinc/14/25/30/496142530.db2.gz GAMMCHZIGDQOHH-UHFFFAOYSA-N 1 2 374.466 3.486 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000574659278 505826065 /nfs/dbraw/zinc/82/60/65/505826065.db2.gz GCKDZJMBMXMAJT-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO O=C(Nc1cccc(Cl)c1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172109544 496168222 /nfs/dbraw/zinc/16/82/22/496168222.db2.gz KMXOMDQLEJRTCA-UHFFFAOYSA-N 1 2 358.741 3.392 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000175086235 496241629 /nfs/dbraw/zinc/24/16/29/496241629.db2.gz AEFGIFSSJCUDDE-UHFFFAOYSA-N 1 2 361.364 3.064 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000175086235 496241633 /nfs/dbraw/zinc/24/16/33/496241633.db2.gz AEFGIFSSJCUDDE-UHFFFAOYSA-N 1 2 361.364 3.064 20 5 FGBDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184173508 496271427 /nfs/dbraw/zinc/27/14/27/496271427.db2.gz VLXOCPDBAGLIHD-OAHLLOKOSA-N 1 2 361.398 3.130 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082096 496346531 /nfs/dbraw/zinc/34/65/31/496346531.db2.gz GZKUUIFOFRNVQQ-MRXNPFEDSA-N 1 2 367.449 3.308 20 5 FGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082096 496346537 /nfs/dbraw/zinc/34/65/37/496346537.db2.gz GZKUUIFOFRNVQQ-MRXNPFEDSA-N 1 2 367.449 3.308 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c1 ZINC000162865256 496425324 /nfs/dbraw/zinc/42/53/24/496425324.db2.gz STSSZUXYYYWOTP-UHFFFAOYSA-N 1 2 356.357 3.197 20 5 FGBDLO CCc1cnc(C[N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000175524488 496427235 /nfs/dbraw/zinc/42/72/35/496427235.db2.gz DYVSQIPDGAGGOF-UHFFFAOYSA-N 1 2 351.428 3.133 20 5 FGBDLO CCc1cnc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000175524488 496427232 /nfs/dbraw/zinc/42/72/32/496427232.db2.gz DYVSQIPDGAGGOF-UHFFFAOYSA-N 1 2 351.428 3.133 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397015 496442158 /nfs/dbraw/zinc/44/21/58/496442158.db2.gz WCOJAHLTCFVKFJ-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397015 496442163 /nfs/dbraw/zinc/44/21/63/496442163.db2.gz WCOJAHLTCFVKFJ-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000187559369 496489955 /nfs/dbraw/zinc/48/99/55/496489955.db2.gz KUWIZQAHROGJQP-UHFFFAOYSA-N 1 2 355.354 3.167 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000163301507 496495568 /nfs/dbraw/zinc/49/55/68/496495568.db2.gz MGQFPZOPYKGOIV-HNNXBMFYSA-N 1 2 369.425 3.397 20 5 FGBDLO Cc1cnc([C@@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000184770393 496525884 /nfs/dbraw/zinc/52/58/84/496525884.db2.gz NMWQHHHHALEWAJ-NSHDSACASA-N 1 2 371.422 3.079 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184792100 496533375 /nfs/dbraw/zinc/53/33/75/496533375.db2.gz YNQMRZKSZPVPCL-GFCCVEGCSA-N 1 2 370.384 3.312 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178681845 496538119 /nfs/dbraw/zinc/53/81/19/496538119.db2.gz MQWFNMIQLKVBEJ-UHFFFAOYSA-N 1 2 364.405 3.444 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000184810310 496541179 /nfs/dbraw/zinc/54/11/79/496541179.db2.gz FAOOOIINHQHZPP-MRXNPFEDSA-N 1 2 356.426 3.177 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000574766174 505851251 /nfs/dbraw/zinc/85/12/51/505851251.db2.gz FOCQLBQABSBJHO-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000574766174 505851252 /nfs/dbraw/zinc/85/12/52/505851252.db2.gz FOCQLBQABSBJHO-HNNXBMFYSA-N 1 2 366.421 3.415 20 5 FGBDLO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157946487 496592408 /nfs/dbraw/zinc/59/24/08/496592408.db2.gz ZEQDXRIXCCQMOW-CQSZACIVSA-N 1 2 369.421 3.256 20 5 FGBDLO COc1cccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185109575 496664702 /nfs/dbraw/zinc/66/47/02/496664702.db2.gz WXBAZSWTLSYEQE-AWEZNQCLSA-N 1 2 363.439 3.150 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000154069335 496673656 /nfs/dbraw/zinc/67/36/56/496673656.db2.gz XOPBDKIHSYZUJT-MRXNPFEDSA-N 1 2 355.394 3.310 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@]1=O ZINC000277373458 496751761 /nfs/dbraw/zinc/75/17/61/496751761.db2.gz XSHKZCQZZGEUBO-DLUDVSRJSA-N 1 2 355.459 3.289 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC[S@]1=O ZINC000277373458 496751764 /nfs/dbraw/zinc/75/17/64/496751764.db2.gz XSHKZCQZZGEUBO-DLUDVSRJSA-N 1 2 355.459 3.289 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273381141 496788670 /nfs/dbraw/zinc/78/86/70/496788670.db2.gz HOHYDOZEYVNEOX-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273381141 496788677 /nfs/dbraw/zinc/78/86/77/496788677.db2.gz HOHYDOZEYVNEOX-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000195246089 496859146 /nfs/dbraw/zinc/85/91/46/496859146.db2.gz OXZINKJWRBBKKZ-KRWDZBQOSA-N 1 2 368.368 3.295 20 5 FGBDLO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000273974812 496979158 /nfs/dbraw/zinc/97/91/58/496979158.db2.gz YAXNBGAOYIXFGD-UHFFFAOYSA-N 1 2 370.384 3.018 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC000264914366 497010552 /nfs/dbraw/zinc/01/05/52/497010552.db2.gz PEIBJVVFRJTPMJ-UHFFFAOYSA-N 1 2 367.409 3.132 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000274321195 497069741 /nfs/dbraw/zinc/06/97/41/497069741.db2.gz SZFINYZNRJAETO-CYBMUJFWSA-N 1 2 369.450 3.483 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(C(F)(F)F)CC1 ZINC000270428636 497125601 /nfs/dbraw/zinc/12/56/01/497125601.db2.gz HNUPGBYXCAJOCU-UHFFFAOYSA-N 1 2 366.299 3.115 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278915859 497265689 /nfs/dbraw/zinc/26/56/89/497265689.db2.gz LFDYQGRCDASDGP-ZETCQYMHSA-N 1 2 374.344 3.020 20 5 FGBDLO Cc1ccc(OCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272496174 497643864 /nfs/dbraw/zinc/64/38/64/497643864.db2.gz FYYPVAGBYNWNKX-IBGZPJMESA-N 1 2 366.421 3.395 20 5 FGBDLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000268081031 497674917 /nfs/dbraw/zinc/67/49/17/497674917.db2.gz PBTHPZCTQLKOLD-KRWDZBQOSA-N 1 2 359.813 3.358 20 5 FGBDLO CCC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825648 497911626 /nfs/dbraw/zinc/91/16/26/497911626.db2.gz NLPDHLFBCGMEOE-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO CCC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288825648 497911633 /nfs/dbraw/zinc/91/16/33/497911633.db2.gz NLPDHLFBCGMEOE-PXAZEXFGSA-N 1 2 369.849 3.060 20 5 FGBDLO C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000364458163 497968159 /nfs/dbraw/zinc/96/81/59/497968159.db2.gz GFAHZUKYHSDBIF-ZWNOBZJWSA-N 1 2 355.320 3.293 20 5 FGBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC000301267469 498029337 /nfs/dbraw/zinc/02/93/37/498029337.db2.gz IHZRYIJWJKAJJW-UHFFFAOYSA-N 1 2 354.838 3.090 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000581374429 505973842 /nfs/dbraw/zinc/97/38/42/505973842.db2.gz MNPSMXULWUSEPH-ABAIWWIYSA-N 1 2 360.439 3.076 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000301415398 498100422 /nfs/dbraw/zinc/10/04/22/498100422.db2.gz BJPRHJLCTOIGNX-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301494583 498134596 /nfs/dbraw/zinc/13/45/96/498134596.db2.gz ACBUJGKEWFPDNZ-LBPRGKRZSA-N 1 2 360.380 3.052 20 5 FGBDLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296685099 498152319 /nfs/dbraw/zinc/15/23/19/498152319.db2.gz IVZUOFBTNWAPMC-KPZWWZAWSA-N 1 2 357.385 3.404 20 5 FGBDLO COc1ccc([C@@H](CNc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301550950 498159103 /nfs/dbraw/zinc/15/91/03/498159103.db2.gz GWXUPGUTPALQST-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330610365 498160298 /nfs/dbraw/zinc/16/02/98/498160298.db2.gz NJVRKLPDMPDGOS-SNVBAGLBSA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330610365 498160304 /nfs/dbraw/zinc/16/03/04/498160304.db2.gz NJVRKLPDMPDGOS-SNVBAGLBSA-N 1 2 360.357 3.204 20 5 FGBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544032 498187788 /nfs/dbraw/zinc/18/77/88/498187788.db2.gz XBKZLYHBRURGTG-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281544032 498187792 /nfs/dbraw/zinc/18/77/92/498187792.db2.gz XBKZLYHBRURGTG-AAEUAGOBSA-N 1 2 355.822 3.076 20 5 FGBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)S1 ZINC000301731481 498242786 /nfs/dbraw/zinc/24/27/86/498242786.db2.gz DTVHQWTXOBTVDN-UHFFFAOYSA-N 1 2 371.466 3.146 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285986613 498259578 /nfs/dbraw/zinc/25/95/78/498259578.db2.gz MLARGPVYBNPJHT-UHFFFAOYSA-N 1 2 364.274 3.264 20 5 FGBDLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000282254742 498440900 /nfs/dbraw/zinc/44/09/00/498440900.db2.gz JFZZLDVXVVIQSJ-INIZCTEOSA-N 1 2 368.437 3.456 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(OC(F)F)c1 ZINC000302205537 498441276 /nfs/dbraw/zinc/44/12/76/498441276.db2.gz DCCNVSFWTFFYOP-NSHDSACASA-N 1 2 350.325 3.282 20 5 FGBDLO CC[C@]1(CO)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302474279 498491037 /nfs/dbraw/zinc/49/10/37/498491037.db2.gz WLLJGBSAAIMCEF-IBGZPJMESA-N 1 2 356.426 3.349 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282408985 498500199 /nfs/dbraw/zinc/50/01/99/498500199.db2.gz SMKJRYMVDZLNSD-OAHLLOKOSA-N 1 2 354.410 3.147 20 5 FGBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282433815 498509494 /nfs/dbraw/zinc/50/94/94/498509494.db2.gz UOLMHKADMPHXQL-ZDUSSCGKSA-N 1 2 372.400 3.287 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000576097394 506076503 /nfs/dbraw/zinc/07/65/03/506076503.db2.gz SPTDSHPUNJIKCW-UHFFFAOYSA-N 1 2 369.425 3.474 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332646284 498751395 /nfs/dbraw/zinc/75/13/95/498751395.db2.gz MNZMXCHXFWOOSY-ZDUSSCGKSA-N 1 2 356.426 3.142 20 5 FGBDLO COc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000579122549 506099779 /nfs/dbraw/zinc/09/97/79/506099779.db2.gz JBKAOJFYYIFPJE-SHTZXODSSA-N 1 2 370.409 3.152 20 5 FGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295044201 498889980 /nfs/dbraw/zinc/88/99/80/498889980.db2.gz JKYMPFRMVWLYHM-UHFFFAOYSA-N 1 2 368.315 3.241 20 5 FGBDLO Cc1cc(NCc2ncnn2C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000283626415 498940956 /nfs/dbraw/zinc/94/09/56/498940956.db2.gz VLIHEMWJWHFPJT-UHFFFAOYSA-N 1 2 367.413 3.319 20 5 FGBDLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818492 499107769 /nfs/dbraw/zinc/10/77/69/499107769.db2.gz CBEBGVLILRYIFI-NHYWBVRUSA-N 1 2 369.849 3.322 20 5 FGBDLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295818492 499107773 /nfs/dbraw/zinc/10/77/73/499107773.db2.gz CBEBGVLILRYIFI-NHYWBVRUSA-N 1 2 369.849 3.322 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000370038618 499170038 /nfs/dbraw/zinc/17/00/38/499170038.db2.gz SSEIDHNMRUAJPI-UHFFFAOYSA-N 1 2 355.373 3.238 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000370038618 499170039 /nfs/dbraw/zinc/17/00/39/499170039.db2.gz SSEIDHNMRUAJPI-UHFFFAOYSA-N 1 2 355.373 3.238 20 5 FGBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000370117205 499182929 /nfs/dbraw/zinc/18/29/29/499182929.db2.gz PULLOVPEFGJLCO-CYBMUJFWSA-N 1 2 357.414 3.003 20 5 FGBDLO Cc1c([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C ZINC000367346506 499185654 /nfs/dbraw/zinc/18/56/54/499185654.db2.gz MEWDPJJBRDUECT-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1c([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1C ZINC000367346506 499185657 /nfs/dbraw/zinc/18/56/57/499185657.db2.gz MEWDPJJBRDUECT-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000371253190 499302800 /nfs/dbraw/zinc/30/28/00/499302800.db2.gz HNKQCJOHJJZTRQ-UHFFFAOYSA-N 1 2 351.834 3.129 20 5 FGBDLO Cc1ccncc1C1=CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000371478195 499332271 /nfs/dbraw/zinc/33/22/71/499332271.db2.gz UPCOIXZHAQQQMN-UHFFFAOYSA-N 1 2 367.405 3.454 20 5 FGBDLO Cc1ccncc1C1=CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000371478195 499332273 /nfs/dbraw/zinc/33/22/73/499332273.db2.gz UPCOIXZHAQQQMN-UHFFFAOYSA-N 1 2 367.405 3.454 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371523884 499338052 /nfs/dbraw/zinc/33/80/52/499338052.db2.gz FASGMSZPSRUMAR-LBPRGKRZSA-N 1 2 365.187 3.058 20 5 FGBDLO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373100765 499451426 /nfs/dbraw/zinc/45/14/26/499451426.db2.gz UZNZYIXCYUVKDO-HNNXBMFYSA-N 1 2 371.422 3.037 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375617096 499538238 /nfs/dbraw/zinc/53/82/38/499538238.db2.gz GHVGRCPEKFTVTJ-CYBMUJFWSA-N 1 2 358.398 3.098 20 5 FGBDLO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000408102359 499576516 /nfs/dbraw/zinc/57/65/16/499576516.db2.gz FGTFQBCRURKEHZ-HZMBPMFUSA-N 1 2 360.241 3.059 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377860863 499742674 /nfs/dbraw/zinc/74/26/74/499742674.db2.gz ONGLHPXMOSWNQM-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412047642 499816876 /nfs/dbraw/zinc/81/68/76/499816876.db2.gz STMSENTZPMSXLB-SNVBAGLBSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412047642 499816877 /nfs/dbraw/zinc/81/68/77/499816877.db2.gz STMSENTZPMSXLB-SNVBAGLBSA-N 1 2 370.247 3.416 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](OCc4ccccn4)C3)c2c1 ZINC000413188975 499924596 /nfs/dbraw/zinc/92/45/96/499924596.db2.gz AUVPCZWQBLLGER-QGZVFWFLSA-N 1 2 350.378 3.334 20 5 FGBDLO COCC1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000413537043 499983592 /nfs/dbraw/zinc/98/35/92/499983592.db2.gz WFXUSTAQLDDAGN-UHFFFAOYSA-N 1 2 363.458 3.044 20 5 FGBDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421390636 500035667 /nfs/dbraw/zinc/03/56/67/500035667.db2.gz OJPFFKVCCBSZMF-INIZCTEOSA-N 1 2 373.384 3.237 20 5 FGBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421390636 500035673 /nfs/dbraw/zinc/03/56/73/500035673.db2.gz OJPFFKVCCBSZMF-INIZCTEOSA-N 1 2 373.384 3.237 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCC(n2cc[nH+]c2)CC1 ZINC000425424834 500102516 /nfs/dbraw/zinc/10/25/16/500102516.db2.gz PXOWOUIUMLQZAE-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000425424834 500102512 /nfs/dbraw/zinc/10/25/12/500102512.db2.gz PXOWOUIUMLQZAE-UHFFFAOYSA-N 1 2 365.231 3.391 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000425463575 500114016 /nfs/dbraw/zinc/11/40/16/500114016.db2.gz WJXVDWVPPUWDSG-LBPRGKRZSA-N 1 2 351.204 3.418 20 5 FGBDLO COC(=O)c1occc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425958223 500216719 /nfs/dbraw/zinc/21/67/19/500216719.db2.gz FJGQILNPMXYHMS-UHFFFAOYSA-N 1 2 358.272 3.283 20 5 FGBDLO Cc1noc(C)c1C[C@@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817770 500668829 /nfs/dbraw/zinc/66/88/29/500668829.db2.gz PSNNOOGBWNIMDL-CYBMUJFWSA-N 1 2 374.441 3.075 20 5 FGBDLO CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000443128693 500684625 /nfs/dbraw/zinc/68/46/25/500684625.db2.gz MCQZFIKTKLSBCM-SNVBAGLBSA-N 1 2 354.819 3.331 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000448630475 500790089 /nfs/dbraw/zinc/79/00/89/500790089.db2.gz ONBVBDZMKMWYKK-GFCCVEGCSA-N 1 2 368.315 3.195 20 5 FGBDLO Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc[nH+]1 ZINC000444009774 500791256 /nfs/dbraw/zinc/79/12/56/500791256.db2.gz OEGPAHHYBXUMJE-UHFFFAOYSA-N 1 2 365.339 3.337 20 5 FGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253396 500824309 /nfs/dbraw/zinc/82/43/09/500824309.db2.gz PKCWWKHWCMXKIR-UHFFFAOYSA-N 1 2 360.417 3.040 20 5 FGBDLO CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC000448766975 500828081 /nfs/dbraw/zinc/82/80/81/500828081.db2.gz GZVNLWFMXLYXFA-UHFFFAOYSA-N 1 2 372.410 3.182 20 5 FGBDLO CCCCCC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444616616 500867425 /nfs/dbraw/zinc/86/74/25/500867425.db2.gz CQCJJDMBDZXZBD-UHFFFAOYSA-N 1 2 373.457 3.132 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444740618 500891689 /nfs/dbraw/zinc/89/16/89/500891689.db2.gz WLRSNVUSQLPKED-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444740618 500891692 /nfs/dbraw/zinc/89/16/92/500891692.db2.gz WLRSNVUSQLPKED-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1F ZINC000449345891 500983610 /nfs/dbraw/zinc/98/36/10/500983610.db2.gz XPJSRDMUASSPLK-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611609125 506228756 /nfs/dbraw/zinc/22/87/56/506228756.db2.gz HQPCTUWOHBZXCP-LLVKDONJSA-N 1 2 352.284 3.400 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611609125 506228761 /nfs/dbraw/zinc/22/87/61/506228761.db2.gz HQPCTUWOHBZXCP-LLVKDONJSA-N 1 2 352.284 3.400 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000449429375 501000267 /nfs/dbraw/zinc/00/02/67/501000267.db2.gz TXXRODUCCZRCCI-ZDUSSCGKSA-N 1 2 358.179 3.184 20 5 FGBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000449429375 501000269 /nfs/dbraw/zinc/00/02/69/501000269.db2.gz TXXRODUCCZRCCI-ZDUSSCGKSA-N 1 2 358.179 3.184 20 5 FGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000450371696 501103240 /nfs/dbraw/zinc/10/32/40/501103240.db2.gz JNSODIOCODRENT-CQSZACIVSA-N 1 2 354.410 3.433 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000436407811 501122131 /nfs/dbraw/zinc/12/21/31/501122131.db2.gz LBNUVFAYWNMMRZ-SNVBAGLBSA-N 1 2 353.304 3.094 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000446487475 501124578 /nfs/dbraw/zinc/12/45/78/501124578.db2.gz BFSAZSHUBWBWQY-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc2[nH+]ccn21 ZINC000607714854 506236238 /nfs/dbraw/zinc/23/62/38/506236238.db2.gz WOXZLMSMJBYFIY-UHFFFAOYSA-N 1 2 368.396 3.441 20 5 FGBDLO COc1ccc(CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000446831594 501169995 /nfs/dbraw/zinc/16/99/95/501169995.db2.gz GQZQZCPCFRJBBM-KRWDZBQOSA-N 1 2 356.357 3.345 20 5 FGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894010 501228521 /nfs/dbraw/zinc/22/85/21/501228521.db2.gz REQDPNROKMPTAF-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894010 501228522 /nfs/dbraw/zinc/22/85/22/501228522.db2.gz REQDPNROKMPTAF-LSDHHAIUSA-N 1 2 369.421 3.035 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456359246 501509090 /nfs/dbraw/zinc/50/90/90/501509090.db2.gz QSPAMWHVQACZPE-NSHDSACASA-N 1 2 366.805 3.111 20 5 FGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456378371 501512837 /nfs/dbraw/zinc/51/28/37/501512837.db2.gz LILJCSMVXKOYSQ-NHCYSSNCSA-N 1 2 364.789 3.034 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456417023 501521514 /nfs/dbraw/zinc/52/15/14/501521514.db2.gz KENFBAOYBMZDDC-ONGXEEELSA-N 1 2 366.830 3.359 20 5 FGBDLO C[C@@]12CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587662 501527971 /nfs/dbraw/zinc/52/79/71/501527971.db2.gz AVQRQYKWNMEWSA-WRXMGDCGSA-N 1 2 364.405 3.065 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454522067 501568417 /nfs/dbraw/zinc/56/84/17/501568417.db2.gz QPMRDXNIXXJVNY-SECBINFHSA-N 1 2 369.328 3.295 20 5 FGBDLO COc1cc(C[NH+]2CC(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459573036 501679203 /nfs/dbraw/zinc/67/92/03/501679203.db2.gz BTPJDVXBFYBZNW-UHFFFAOYSA-N 1 2 358.394 3.013 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000459646562 501692393 /nfs/dbraw/zinc/69/23/93/501692393.db2.gz AOUIVNCLJPTPFB-KGLIPLIRSA-N 1 2 354.353 3.197 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000459646562 501692396 /nfs/dbraw/zinc/69/23/96/501692396.db2.gz AOUIVNCLJPTPFB-KGLIPLIRSA-N 1 2 354.353 3.197 20 5 FGBDLO O=C1[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459763915 501710406 /nfs/dbraw/zinc/71/04/06/501710406.db2.gz MSPSPWUDXIPZKI-QGZVFWFLSA-N 1 2 357.797 3.369 20 5 FGBDLO O=C1[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459763915 501710409 /nfs/dbraw/zinc/71/04/09/501710409.db2.gz MSPSPWUDXIPZKI-QGZVFWFLSA-N 1 2 357.797 3.369 20 5 FGBDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000463487558 501739163 /nfs/dbraw/zinc/73/91/63/501739163.db2.gz XUYFMTYFOOVWJU-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO COC(=O)c1c(Cl)c(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000596154035 506283525 /nfs/dbraw/zinc/28/35/25/506283525.db2.gz JIUSLVDQQQOABI-LBPRGKRZSA-N 1 2 364.789 3.490 20 5 FGBDLO Cc1cccc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000464296960 501946716 /nfs/dbraw/zinc/94/67/16/501946716.db2.gz FRFIUHYRJXCSLN-UHFFFAOYSA-N 1 2 364.405 3.420 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000474969073 502007362 /nfs/dbraw/zinc/00/73/62/502007362.db2.gz UFKKFGNLCRKREL-GXTWGEPZSA-N 1 2 356.426 3.424 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000474969073 502007366 /nfs/dbraw/zinc/00/73/66/502007366.db2.gz UFKKFGNLCRKREL-GXTWGEPZSA-N 1 2 356.426 3.424 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000468584874 502115897 /nfs/dbraw/zinc/11/58/97/502115897.db2.gz GOSZJLXUYXEMCB-PTNGSMBKSA-N 1 2 354.410 3.342 20 5 FGBDLO C[C@@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000482646590 502138649 /nfs/dbraw/zinc/13/86/49/502138649.db2.gz LHDZWVLPFWERNR-OAHLLOKOSA-N 1 2 368.315 3.241 20 5 FGBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000479380843 502240464 /nfs/dbraw/zinc/24/04/64/502240464.db2.gz UJFQMCULYBMUFU-UHFFFAOYSA-N 1 2 370.796 3.406 20 5 FGBDLO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469050299 502278760 /nfs/dbraw/zinc/27/87/60/502278760.db2.gz VTGZKAACLGCTBL-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472354169 502326315 /nfs/dbraw/zinc/32/63/15/502326315.db2.gz UWPBTYOVCAILEA-CVEARBPZSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472354169 502326319 /nfs/dbraw/zinc/32/63/19/502326319.db2.gz UWPBTYOVCAILEA-CVEARBPZSA-N 1 2 353.850 3.470 20 5 FGBDLO Cn1nccc1[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599083987 506316559 /nfs/dbraw/zinc/31/65/59/506316559.db2.gz NXHUIMOJZZFRCN-GUYCJALGSA-N 1 2 353.382 3.209 20 5 FGBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000483828218 502502740 /nfs/dbraw/zinc/50/27/40/502502740.db2.gz BXZMOMZPPABQMV-UHFFFAOYSA-N 1 2 364.283 3.191 20 5 FGBDLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000473170291 502534335 /nfs/dbraw/zinc/53/43/35/502534335.db2.gz OPNAVSWZCJSEBU-YGRLFVJLSA-N 1 2 360.395 3.091 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000484018700 502551464 /nfs/dbraw/zinc/55/14/64/502551464.db2.gz XWLIMRXXLBJTOF-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000484018700 502551471 /nfs/dbraw/zinc/55/14/71/502551471.db2.gz XWLIMRXXLBJTOF-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(F)c1 ZINC000466413199 502564301 /nfs/dbraw/zinc/56/43/01/502564301.db2.gz DLGZJWYYODHTII-UHFFFAOYSA-N 1 2 359.279 3.360 20 5 FGBDLO Cc1ccn2cc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000488010656 502598547 /nfs/dbraw/zinc/59/85/47/502598547.db2.gz QJHNOWUSRJTFSJ-UHFFFAOYSA-N 1 2 367.409 3.285 20 5 FGBDLO Cc1c(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000477025513 502652362 /nfs/dbraw/zinc/65/23/62/502652362.db2.gz TVSWGIOISPZXKT-CYBMUJFWSA-N 1 2 356.426 3.171 20 5 FGBDLO Cc1c(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000477025513 502652363 /nfs/dbraw/zinc/65/23/63/502652363.db2.gz TVSWGIOISPZXKT-CYBMUJFWSA-N 1 2 356.426 3.171 20 5 FGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000470143911 502676991 /nfs/dbraw/zinc/67/69/91/502676991.db2.gz AQKFDJPZXHECOC-UHFFFAOYSA-N 1 2 362.361 3.418 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000480983030 502719540 /nfs/dbraw/zinc/71/95/40/502719540.db2.gz ALUXWNNDPBLMAK-UHFFFAOYSA-N 1 2 365.393 3.098 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466935218 502733406 /nfs/dbraw/zinc/73/34/06/502733406.db2.gz SUNQZFWJXXIEJU-QGZVFWFLSA-N 1 2 374.462 3.205 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466935218 502733411 /nfs/dbraw/zinc/73/34/11/502733411.db2.gz SUNQZFWJXXIEJU-QGZVFWFLSA-N 1 2 374.462 3.205 20 5 FGBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000512978576 502825350 /nfs/dbraw/zinc/82/53/50/502825350.db2.gz FIXWSVMKWDHQFX-UHFFFAOYSA-N 1 2 350.378 3.095 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000509129790 502828052 /nfs/dbraw/zinc/82/80/52/502828052.db2.gz ZCVFOPPRBLVRMV-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000509129790 502828055 /nfs/dbraw/zinc/82/80/55/502828055.db2.gz ZCVFOPPRBLVRMV-UHFFFAOYSA-N 1 2 363.433 3.349 20 5 FGBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266094 502863388 /nfs/dbraw/zinc/86/33/88/502863388.db2.gz XRUZQAMTYVYTNV-QWHCGFSZSA-N 1 2 369.412 3.390 20 5 FGBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509266094 502863393 /nfs/dbraw/zinc/86/33/93/502863393.db2.gz XRUZQAMTYVYTNV-QWHCGFSZSA-N 1 2 369.412 3.390 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509662921 502961032 /nfs/dbraw/zinc/96/10/32/502961032.db2.gz AFNJMPJRXDSQAT-CYBMUJFWSA-N 1 2 362.380 3.147 20 5 FGBDLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000497734418 503027948 /nfs/dbraw/zinc/02/79/48/503027948.db2.gz QGPHQJTVSPCYKE-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000514099786 503088273 /nfs/dbraw/zinc/08/82/73/503088273.db2.gz QVGLMDHLEIIZAT-UHFFFAOYSA-N 1 2 374.422 3.111 20 5 FGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000514099786 503088275 /nfs/dbraw/zinc/08/82/75/503088275.db2.gz QVGLMDHLEIIZAT-UHFFFAOYSA-N 1 2 374.422 3.111 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000498499098 503197018 /nfs/dbraw/zinc/19/70/18/503197018.db2.gz INWRAKYROFXYBB-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000502524476 503217808 /nfs/dbraw/zinc/21/78/08/503217808.db2.gz IBMLDDARKBUJSJ-UHFFFAOYSA-N 1 2 365.393 3.107 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502908374 503305478 /nfs/dbraw/zinc/30/54/78/503305478.db2.gz DGYQUASELTXEBF-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502908374 503305479 /nfs/dbraw/zinc/30/54/79/503305479.db2.gz DGYQUASELTXEBF-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000511390674 503312671 /nfs/dbraw/zinc/31/26/71/503312671.db2.gz JZICLUFWPMOHIA-UHFFFAOYSA-N 1 2 364.405 3.121 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000511407021 503315432 /nfs/dbraw/zinc/31/54/32/503315432.db2.gz NOHXXMSVXQYAIY-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO CC[N@H+](CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC)c1ccccc1 ZINC000515579197 503367751 /nfs/dbraw/zinc/36/77/51/503367751.db2.gz XJBSXPQBIOLXKW-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC)c1ccccc1 ZINC000515579197 503367755 /nfs/dbraw/zinc/36/77/55/503367755.db2.gz XJBSXPQBIOLXKW-UHFFFAOYSA-N 1 2 356.426 3.283 20 5 FGBDLO C[C@@](CO)([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000602963706 506368337 /nfs/dbraw/zinc/36/83/37/506368337.db2.gz YPVZHRFJCSTJGF-ZDUSSCGKSA-N 1 2 361.345 3.067 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc([N+](=O)[O-])c1C ZINC000515943143 503423119 /nfs/dbraw/zinc/42/31/19/503423119.db2.gz LTRYGDXWVWNYRA-UHFFFAOYSA-N 1 2 354.366 3.359 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)Cc3cccc(F)c3)co2)cc1 ZINC000494255174 503513269 /nfs/dbraw/zinc/51/32/69/503513269.db2.gz YJYNMMJQHGBBBI-UHFFFAOYSA-N 1 2 371.368 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)Cc3cccc(F)c3)co2)cc1 ZINC000494255174 503513272 /nfs/dbraw/zinc/51/32/72/503513272.db2.gz YJYNMMJQHGBBBI-UHFFFAOYSA-N 1 2 371.368 3.383 20 5 FGBDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000504539689 503585325 /nfs/dbraw/zinc/58/53/25/503585325.db2.gz FKHKXJGJMYUXCW-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000504539689 503585331 /nfs/dbraw/zinc/58/53/31/503585331.db2.gz FKHKXJGJMYUXCW-UHFFFAOYSA-N 1 2 363.801 3.219 20 5 FGBDLO CC(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1nnc2ccccn21 ZINC000508977100 503611307 /nfs/dbraw/zinc/61/13/07/503611307.db2.gz IYYRESLGUVZRMK-MRXNPFEDSA-N 1 2 361.352 3.403 20 5 FGBDLO O=c1ccccn1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000500475390 503632337 /nfs/dbraw/zinc/63/23/37/503632337.db2.gz IKLDGTOUWVXFKR-INIZCTEOSA-N 1 2 355.419 3.349 20 5 FGBDLO O=C(C[N@@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000516988455 503638473 /nfs/dbraw/zinc/63/84/73/503638473.db2.gz SGSNPTBUPJRRGW-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO O=C(C[N@H+]1CCCn2c(cc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000516988455 503638476 /nfs/dbraw/zinc/63/84/76/503638476.db2.gz SGSNPTBUPJRRGW-UHFFFAOYSA-N 1 2 364.405 3.394 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533042332 503710787 /nfs/dbraw/zinc/71/07/87/503710787.db2.gz BLBWEWQKYIPTOL-HNNXBMFYSA-N 1 2 374.828 3.373 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533042332 503710791 /nfs/dbraw/zinc/71/07/91/503710791.db2.gz BLBWEWQKYIPTOL-HNNXBMFYSA-N 1 2 374.828 3.373 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424124 503764481 /nfs/dbraw/zinc/76/44/81/503764481.db2.gz MBUXLWWLDUCJKO-VLIAUNLRSA-N 1 2 369.421 3.193 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533097 503779125 /nfs/dbraw/zinc/77/91/25/503779125.db2.gz LILRLKOCPDHCSS-NHYWBVRUSA-N 1 2 364.377 3.050 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000546533097 503779128 /nfs/dbraw/zinc/77/91/28/503779128.db2.gz LILRLKOCPDHCSS-NHYWBVRUSA-N 1 2 364.377 3.050 20 5 FGBDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000540478851 503784056 /nfs/dbraw/zinc/78/40/56/503784056.db2.gz YQLQFWLQFNIMLZ-INIZCTEOSA-N 1 2 372.356 3.261 20 5 FGBDLO CC(C)(C)OC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000533379351 503823557 /nfs/dbraw/zinc/82/35/57/503823557.db2.gz FKMJIJZSFMRHNP-UHFFFAOYSA-N 1 2 350.415 3.218 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537228688 503850172 /nfs/dbraw/zinc/85/01/72/503850172.db2.gz KSOXQWXZADQQCP-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537228688 503850175 /nfs/dbraw/zinc/85/01/75/503850175.db2.gz KSOXQWXZADQQCP-HNNXBMFYSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cc(N2CCOCC3(CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000546759139 503867917 /nfs/dbraw/zinc/86/79/17/503867917.db2.gz ZNPKWJUWQJKHKM-UHFFFAOYSA-N 1 2 354.410 3.367 20 5 FGBDLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000543979142 503959069 /nfs/dbraw/zinc/95/90/69/503959069.db2.gz KUKZDZALXDDRKM-LBPRGKRZSA-N 1 2 353.382 3.453 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000541005876 503972706 /nfs/dbraw/zinc/97/27/06/503972706.db2.gz WVJMKYBPOXLVKK-QGZVFWFLSA-N 1 2 356.426 3.092 20 5 FGBDLO COc1cc(C[NH2+]Cc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000537612524 503973929 /nfs/dbraw/zinc/97/39/29/503973929.db2.gz YIWJKPWZGCGDTR-UHFFFAOYSA-N 1 2 367.352 3.241 20 5 FGBDLO O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518526098 504009240 /nfs/dbraw/zinc/00/92/40/504009240.db2.gz GIBUTUDGBFBGJO-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518526098 504009243 /nfs/dbraw/zinc/00/92/43/504009243.db2.gz GIBUTUDGBFBGJO-CYBMUJFWSA-N 1 2 360.801 3.071 20 5 FGBDLO C[C@@H](Cc1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000541221479 504048419 /nfs/dbraw/zinc/04/84/19/504048419.db2.gz HLRBFMTYGCGNBW-LBPRGKRZSA-N 1 2 365.480 3.107 20 5 FGBDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1c(C)nn(C)c1C ZINC000544417986 504126381 /nfs/dbraw/zinc/12/63/81/504126381.db2.gz OGADJXWDPIYYBA-OAHLLOKOSA-N 1 2 370.413 3.236 20 5 FGBDLO COc1ccncc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519124990 504146016 /nfs/dbraw/zinc/14/60/16/504146016.db2.gz SRJCVDOHZZQQRX-UHFFFAOYSA-N 1 2 356.407 3.412 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000519161254 504153909 /nfs/dbraw/zinc/15/39/09/504153909.db2.gz CCAFTHUHDQCBKH-UHFFFAOYSA-N 1 2 356.426 3.099 20 5 FGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000544620375 504194173 /nfs/dbraw/zinc/19/41/73/504194173.db2.gz WFMFVLIJOPNEKW-UHFFFAOYSA-N 1 2 355.329 3.241 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541718491 504232148 /nfs/dbraw/zinc/23/21/48/504232148.db2.gz LDTKPTNABIQHJH-VIFPVBQESA-N 1 2 357.313 3.086 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247278 504380571 /nfs/dbraw/zinc/38/05/71/504380571.db2.gz LVILOXILYNJABB-BSXFFOKHSA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247278 504380577 /nfs/dbraw/zinc/38/05/77/504380577.db2.gz LVILOXILYNJABB-BSXFFOKHSA-N 1 2 359.470 3.282 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542632794 504559714 /nfs/dbraw/zinc/55/97/14/504559714.db2.gz XBPQOHYCRYTHIZ-GOSISDBHSA-N 1 2 356.422 3.307 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542632794 504559718 /nfs/dbraw/zinc/55/97/18/504559718.db2.gz XBPQOHYCRYTHIZ-GOSISDBHSA-N 1 2 356.422 3.307 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000548952465 504633867 /nfs/dbraw/zinc/63/38/67/504633867.db2.gz MSBPORZJAVRKHB-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC000542957141 504671766 /nfs/dbraw/zinc/67/17/66/504671766.db2.gz NIGAATLSSCFKLG-UHFFFAOYSA-N 1 2 373.413 3.166 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549077461 504676717 /nfs/dbraw/zinc/67/67/17/504676717.db2.gz KJEYZEYDYZUVNZ-SKDRFNHKSA-N 1 2 354.313 3.019 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549077461 504676720 /nfs/dbraw/zinc/67/67/20/504676720.db2.gz KJEYZEYDYZUVNZ-SKDRFNHKSA-N 1 2 354.313 3.019 20 5 FGBDLO COc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000543097367 504723651 /nfs/dbraw/zinc/72/36/51/504723651.db2.gz YDSYYFCAXPZCGS-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO O=C1NCCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000559308565 504827284 /nfs/dbraw/zinc/82/72/84/504827284.db2.gz YTRICPRRULKUOR-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO O=C1NCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000559308565 504827287 /nfs/dbraw/zinc/82/72/87/504827287.db2.gz YTRICPRRULKUOR-GOSISDBHSA-N 1 2 373.840 3.181 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556631 504848850 /nfs/dbraw/zinc/84/88/50/504848850.db2.gz ZTKOCLHWHMFSLF-HNAYVOBHSA-N 1 2 355.438 3.301 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000549556631 504848853 /nfs/dbraw/zinc/84/88/53/504848853.db2.gz ZTKOCLHWHMFSLF-HNAYVOBHSA-N 1 2 355.438 3.301 20 5 FGBDLO CN(Cc1nnc2n1CCCCC2)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000565468090 504896501 /nfs/dbraw/zinc/89/65/01/504896501.db2.gz SCCPVODABGYYLH-UHFFFAOYSA-N 1 2 352.398 3.097 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000549885487 504924740 /nfs/dbraw/zinc/92/47/40/504924740.db2.gz WBRPACRCLGFDDO-KGLIPLIRSA-N 1 2 362.373 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000549885487 504924743 /nfs/dbraw/zinc/92/47/43/504924743.db2.gz WBRPACRCLGFDDO-KGLIPLIRSA-N 1 2 362.373 3.320 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549998526 504948682 /nfs/dbraw/zinc/94/86/82/504948682.db2.gz FPEUXMMZHQMIHK-GDBMZVCRSA-N 1 2 374.359 3.384 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000549998526 504948685 /nfs/dbraw/zinc/94/86/85/504948685.db2.gz FPEUXMMZHQMIHK-GDBMZVCRSA-N 1 2 374.359 3.384 20 5 FGBDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000566217504 505114935 /nfs/dbraw/zinc/11/49/35/505114935.db2.gz REBAZTJDLRMFED-HNNXBMFYSA-N 1 2 374.466 3.207 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000557362271 505117191 /nfs/dbraw/zinc/11/71/91/505117191.db2.gz BBPOKOMQDNYHFM-UHFFFAOYSA-N 1 2 364.405 3.404 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC000560544102 505120547 /nfs/dbraw/zinc/12/05/47/505120547.db2.gz DUVIDIHQZDHELI-IBGZPJMESA-N 1 2 364.405 3.238 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccnc3)o2)cc1 ZINC000554242480 505124062 /nfs/dbraw/zinc/12/40/62/505124062.db2.gz ABQFFNMLFPQDDX-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccnc3)o2)cc1 ZINC000554242480 505124066 /nfs/dbraw/zinc/12/40/66/505124066.db2.gz ABQFFNMLFPQDDX-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO CNc1ccc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000554479834 505182641 /nfs/dbraw/zinc/18/26/41/505182641.db2.gz KAGNMFQLZBIIOM-KRWDZBQOSA-N 1 2 365.393 3.221 20 5 FGBDLO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566945426 505318657 /nfs/dbraw/zinc/31/86/57/505318657.db2.gz DNRJFLKLHXVDMC-ZDUSSCGKSA-N 1 2 360.195 3.430 20 5 FGBDLO CC(C)[C@@H]1CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566945426 505318661 /nfs/dbraw/zinc/31/86/61/505318661.db2.gz DNRJFLKLHXVDMC-ZDUSSCGKSA-N 1 2 360.195 3.430 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)cn1 ZINC000563931090 505280295 /nfs/dbraw/zinc/28/02/95/505280295.db2.gz YWOBAHKLTDNHQR-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO Cc1cc(N2CC[C@H](OC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000554933522 505302904 /nfs/dbraw/zinc/30/29/04/505302904.db2.gz XOJWIMRLLQDFNO-ZDUSSCGKSA-N 1 2 350.325 3.178 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000564051019 505311893 /nfs/dbraw/zinc/31/18/93/505311893.db2.gz RROSLSBXGQHFNX-HNNXBMFYSA-N 1 2 368.441 3.447 20 5 FGBDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558408368 505380442 /nfs/dbraw/zinc/38/04/42/505380442.db2.gz HEOAQOGADKTRKT-ZDUSSCGKSA-N 1 2 353.382 3.014 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000561578679 505382399 /nfs/dbraw/zinc/38/23/99/505382399.db2.gz RSMHMAHTRDNVFO-QGZVFWFLSA-N 1 2 371.441 3.102 20 5 FGBDLO Cc1cccnc1OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000558482806 505405172 /nfs/dbraw/zinc/40/51/72/505405172.db2.gz NGXMPXMPXMUWHL-UHFFFAOYSA-N 1 2 367.409 3.218 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000564444343 505421994 /nfs/dbraw/zinc/42/19/94/505421994.db2.gz RWRQMLARDUBXEF-CQSZACIVSA-N 1 2 357.414 3.361 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000564589334 505462954 /nfs/dbraw/zinc/46/29/54/505462954.db2.gz ULXRVUJUFVIYOK-UHFFFAOYSA-N 1 2 364.405 3.171 20 5 FGBDLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000555742612 505505538 /nfs/dbraw/zinc/50/55/38/505505538.db2.gz VCRKKYMDFXQVET-AWEZNQCLSA-N 1 2 357.385 3.253 20 5 FGBDLO CC(C)(C)OCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596464224 506418265 /nfs/dbraw/zinc/41/82/65/506418265.db2.gz IIYAOLASCGNWCH-UHFFFAOYSA-N 1 2 351.447 3.044 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000582990551 506526573 /nfs/dbraw/zinc/52/65/73/506526573.db2.gz RYYHLTCABXTJSI-UHFFFAOYSA-N 1 2 363.377 3.469 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000582994441 506528453 /nfs/dbraw/zinc/52/84/53/506528453.db2.gz BHWOXJDJCRBIRL-MRXNPFEDSA-N 1 2 356.382 3.237 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000612346001 506537657 /nfs/dbraw/zinc/53/76/57/506537657.db2.gz AUPHBXVFAYDMQP-UHFFFAOYSA-N 1 2 365.187 3.071 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599642761 506547335 /nfs/dbraw/zinc/54/73/35/506547335.db2.gz VQUWUUSPXTYFHC-MRXNPFEDSA-N 1 2 358.398 3.215 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599642761 506547339 /nfs/dbraw/zinc/54/73/39/506547339.db2.gz VQUWUUSPXTYFHC-MRXNPFEDSA-N 1 2 358.398 3.215 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000603934004 506663902 /nfs/dbraw/zinc/66/39/02/506663902.db2.gz AMTFWHHDWZFABJ-INIZCTEOSA-N 1 2 372.331 3.126 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000604082185 506708984 /nfs/dbraw/zinc/70/89/84/506708984.db2.gz UGGMYIAIFOUUJK-UHFFFAOYSA-N 1 2 351.472 3.271 20 5 FGBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000604082185 506708990 /nfs/dbraw/zinc/70/89/90/506708990.db2.gz UGGMYIAIFOUUJK-UHFFFAOYSA-N 1 2 351.472 3.271 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234570 506822353 /nfs/dbraw/zinc/82/23/53/506822353.db2.gz VWAMMSQIURSWNS-SFHVURJKSA-N 1 2 369.421 3.305 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234570 506822358 /nfs/dbraw/zinc/82/23/58/506822358.db2.gz VWAMMSQIURSWNS-SFHVURJKSA-N 1 2 369.421 3.305 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCc4nccnc4C3)o2)c([N+](=O)[O-])c1 ZINC000597234830 506851661 /nfs/dbraw/zinc/85/16/61/506851661.db2.gz BTBLDQPIKOKPEQ-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCc4nccnc4C3)o2)c([N+](=O)[O-])c1 ZINC000597234830 506851666 /nfs/dbraw/zinc/85/16/66/506851666.db2.gz BTBLDQPIKOKPEQ-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO O=C(NCCc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604531042 506863331 /nfs/dbraw/zinc/86/33/31/506863331.db2.gz RLOFNSCSLBAJKV-UHFFFAOYSA-N 1 2 372.331 3.031 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC(F)(F)CC1 ZINC000600255387 506875322 /nfs/dbraw/zinc/87/53/22/506875322.db2.gz NBTPLDUMIBIEEM-UHFFFAOYSA-N 1 2 350.325 3.042 20 5 FGBDLO CC(C)(C)c1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000609569329 506926115 /nfs/dbraw/zinc/92/61/15/506926115.db2.gz WDGFMHWHNRGAGA-UHFFFAOYSA-N 1 2 355.394 3.191 20 5 FGBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CC2 ZINC000613183107 506958137 /nfs/dbraw/zinc/95/81/37/506958137.db2.gz RLTZBMYRCBAUFA-UHFFFAOYSA-N 1 2 365.393 3.094 20 5 FGBDLO CC(C)(C)CC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591139117 507129575 /nfs/dbraw/zinc/12/95/75/507129575.db2.gz NTNKITKGSZXSED-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000597941506 507189633 /nfs/dbraw/zinc/18/96/33/507189633.db2.gz QTIDHKNRTBOTQB-ZDUSSCGKSA-N 1 2 372.400 3.149 20 5 FGBDLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601036597 507236930 /nfs/dbraw/zinc/23/69/30/507236930.db2.gz UKPBKFCHBOFIQQ-KRWDZBQOSA-N 1 2 354.410 3.077 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000601245378 507309137 /nfs/dbraw/zinc/30/91/37/507309137.db2.gz CSRFABUCXFRWPT-CQSZACIVSA-N 1 2 373.375 3.206 20 5 FGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)C1 ZINC000601370178 507346654 /nfs/dbraw/zinc/34/66/54/507346654.db2.gz VPHKMXNZXNTILO-INIZCTEOSA-N 1 2 372.425 3.230 20 5 FGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)C1 ZINC000601370178 507346664 /nfs/dbraw/zinc/34/66/64/507346664.db2.gz VPHKMXNZXNTILO-INIZCTEOSA-N 1 2 372.425 3.230 20 5 FGBDLO Cc1noc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000595291024 507449019 /nfs/dbraw/zinc/44/90/19/507449019.db2.gz WAIPUUMUQQTHSO-UHFFFAOYSA-N 1 2 370.331 3.232 20 5 FGBDLO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595307436 507456578 /nfs/dbraw/zinc/45/65/78/507456578.db2.gz WAJMXYGCAJUGEI-UHFFFAOYSA-N 1 2 361.373 3.030 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000595323837 507460376 /nfs/dbraw/zinc/46/03/76/507460376.db2.gz AQPLRNHSUGFVKF-UHFFFAOYSA-N 1 2 373.413 3.061 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CC[C@H](O)CC1 ZINC000592130728 507495725 /nfs/dbraw/zinc/49/57/25/507495725.db2.gz KSYDRUYHYXQGIR-WKILWMFISA-N 1 2 372.425 3.161 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CC[C@H](O)CC1 ZINC000592130728 507495734 /nfs/dbraw/zinc/49/57/34/507495734.db2.gz KSYDRUYHYXQGIR-WKILWMFISA-N 1 2 372.425 3.161 20 5 FGBDLO COC(=O)c1ccc2[nH]c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000595512326 507538809 /nfs/dbraw/zinc/53/88/09/507538809.db2.gz SNCMYLTXXNOWST-UHFFFAOYSA-N 1 2 368.393 3.283 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595519637 507541985 /nfs/dbraw/zinc/54/19/85/507541985.db2.gz AUYMFXGEAFXKJT-HNNXBMFYSA-N 1 2 372.425 3.183 20 5 FGBDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595519637 507541988 /nfs/dbraw/zinc/54/19/88/507541988.db2.gz AUYMFXGEAFXKJT-HNNXBMFYSA-N 1 2 372.425 3.183 20 5 FGBDLO CC(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598676225 507547140 /nfs/dbraw/zinc/54/71/40/507547140.db2.gz DYFRLLRYHCDXAD-GOSISDBHSA-N 1 2 374.462 3.478 20 5 FGBDLO COc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000611273803 507598637 /nfs/dbraw/zinc/59/86/37/507598637.db2.gz CGECSQRYQHZPHN-UHFFFAOYSA-N 1 2 368.393 3.088 20 5 FGBDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000585756706 507618384 /nfs/dbraw/zinc/61/83/84/507618384.db2.gz WWUHFQDHJUHIMV-GFCCVEGCSA-N 1 2 366.414 3.378 20 5 FGBDLO CC(C)(CC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000614897343 507688782 /nfs/dbraw/zinc/68/87/82/507688782.db2.gz FYYOXDUITBWGKR-UHFFFAOYSA-N 1 2 356.304 3.241 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555134 507737604 /nfs/dbraw/zinc/73/76/04/507737604.db2.gz ONEGSZNNMMBDJM-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611555134 507737611 /nfs/dbraw/zinc/73/76/11/507737611.db2.gz ONEGSZNNMMBDJM-DGCLKSJQSA-N 1 2 371.359 3.147 20 5 FGBDLO Cc1c(Br)c(NC[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000542520225 673588130 /nfs/dbraw/zinc/58/81/30/673588130.db2.gz VYUCULBYFPWTJS-VIFPVBQESA-N 1 2 354.208 3.005 20 5 FGBDLO O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078301803 700276276 /nfs/dbraw/zinc/27/62/76/700276276.db2.gz LBVKHSLZIVVLGO-JTQLQIEISA-N 1 2 356.165 3.131 20 5 FGBDLO Cc1cccn2cc(CCNC(=S)Nc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000747656567 722655006 /nfs/dbraw/zinc/65/50/06/722655006.db2.gz CMMCSSSRFFMVLV-UHFFFAOYSA-N 1 2 355.423 3.080 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748039678 722672546 /nfs/dbraw/zinc/67/25/46/722672546.db2.gz SOCDXEPDBBRCMB-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748039678 722672550 /nfs/dbraw/zinc/67/25/50/722672550.db2.gz SOCDXEPDBBRCMB-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791408795 723240486 /nfs/dbraw/zinc/24/04/86/723240486.db2.gz ZDKKJYGIZJBBQB-UHFFFAOYSA-N 1 2 350.806 3.175 20 5 FGBDLO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)S(C)(=O)=O ZINC000769519103 723688782 /nfs/dbraw/zinc/68/87/82/723688782.db2.gz KMWFZKBPWVEUPV-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)S(C)(=O)=O ZINC000769519103 723688783 /nfs/dbraw/zinc/68/87/83/723688783.db2.gz KMWFZKBPWVEUPV-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000770279998 723710141 /nfs/dbraw/zinc/71/01/41/723710141.db2.gz JSPJJCKZDBJVID-ZIAGYGMSSA-N 1 2 373.272 3.064 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000770279998 723710143 /nfs/dbraw/zinc/71/01/43/723710143.db2.gz JSPJJCKZDBJVID-ZIAGYGMSSA-N 1 2 373.272 3.064 20 5 FGBDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000770502417 723715168 /nfs/dbraw/zinc/71/51/68/723715168.db2.gz UOKFIIZDYYCINI-UHFFFAOYSA-N 1 2 370.475 3.011 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922122 723723553 /nfs/dbraw/zinc/72/35/53/723723553.db2.gz YGNLYXGCYDMHTR-LBPRGKRZSA-N 1 2 357.391 3.467 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000797528899 723831019 /nfs/dbraw/zinc/83/10/19/723831019.db2.gz ZHYBLAGKISEVJD-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000797528899 723831022 /nfs/dbraw/zinc/83/10/22/723831022.db2.gz ZHYBLAGKISEVJD-IGCXYCKISA-N 1 2 354.834 3.407 20 5 FGBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCc1csc([N+](=O)[O-])c1 ZINC000811328910 725358101 /nfs/dbraw/zinc/35/81/01/725358101.db2.gz ZAIICRZKOQACIA-UHFFFAOYSA-N 1 2 357.391 3.187 20 5 FGBDLO CN(C)c1nccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000811486858 725368676 /nfs/dbraw/zinc/36/86/76/725368676.db2.gz QOCYCVJFPUACRX-UHFFFAOYSA-N 1 2 356.213 3.047 20 5 FGBDLO Cc1cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000817458801 727254463 /nfs/dbraw/zinc/25/44/63/727254463.db2.gz LFIBBQDDVQZOAO-UHFFFAOYSA-N 1 2 351.765 3.258 20 5 FGBDLO Cc1cc(Cl)c(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825601111 729389000 /nfs/dbraw/zinc/38/90/00/729389000.db2.gz ZIWYIRPIQQONRO-UHFFFAOYSA-N 1 2 359.813 3.302 20 5 FGBDLO C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342224 729428983 /nfs/dbraw/zinc/42/89/83/729428983.db2.gz FYVPXBHDFMGCEN-ZBFHGGJFSA-N 1 2 371.840 3.176 20 5 FGBDLO C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342224 729428984 /nfs/dbraw/zinc/42/89/84/729428984.db2.gz FYVPXBHDFMGCEN-ZBFHGGJFSA-N 1 2 371.840 3.176 20 5 FGBDLO C[C@H](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845283675 730826910 /nfs/dbraw/zinc/82/69/10/730826910.db2.gz GHIHXFHVFIYNTB-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000852043238 731537448 /nfs/dbraw/zinc/53/74/48/731537448.db2.gz WQAJJWRLPDSFQD-QGZVFWFLSA-N 1 2 363.801 3.211 20 5 FGBDLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852679405 731619122 /nfs/dbraw/zinc/61/91/22/731619122.db2.gz ZVXLHDSXKUXFNC-LLVKDONJSA-N 1 2 372.252 3.346 20 5 FGBDLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852679405 731619124 /nfs/dbraw/zinc/61/91/24/731619124.db2.gz ZVXLHDSXKUXFNC-LLVKDONJSA-N 1 2 372.252 3.346 20 5 FGBDLO C[C@@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000859412747 732325641 /nfs/dbraw/zinc/32/56/41/732325641.db2.gz XPZFIZGIGLCZGP-NXEZZACHSA-N 1 2 361.776 3.410 20 5 FGBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872058141 735582747 /nfs/dbraw/zinc/58/27/47/735582747.db2.gz OBIBANSTROORTC-GFCCVEGCSA-N 1 2 366.414 3.378 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000872804191 735679565 /nfs/dbraw/zinc/67/95/65/735679565.db2.gz IPGBGMNXYRZPFW-AWEZNQCLSA-N 1 2 355.320 3.085 20 5 FGBDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000872804191 735679569 /nfs/dbraw/zinc/67/95/69/735679569.db2.gz IPGBGMNXYRZPFW-AWEZNQCLSA-N 1 2 355.320 3.085 20 5 FGBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000880109216 737121463 /nfs/dbraw/zinc/12/14/63/737121463.db2.gz TXLONPMENNTDBC-SNVBAGLBSA-N 1 2 351.204 3.307 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562552 742426901 /nfs/dbraw/zinc/42/69/01/742426901.db2.gz OZKRCVVTTZOGRY-HWKANZROSA-N 1 2 352.316 3.339 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562552 742426903 /nfs/dbraw/zinc/42/69/03/742426903.db2.gz OZKRCVVTTZOGRY-HWKANZROSA-N 1 2 352.316 3.339 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1Cl ZINC000897036997 742634537 /nfs/dbraw/zinc/63/45/37/742634537.db2.gz DOPTWIQWAVDKEX-UHFFFAOYSA-N 1 2 352.740 3.385 20 5 FGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000920767250 758599310 /nfs/dbraw/zinc/59/93/10/758599310.db2.gz DHYLCWSURNHYDX-OAHLLOKOSA-N 1 2 362.455 3.115 20 5 FGBDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000932653911 761209589 /nfs/dbraw/zinc/20/95/89/761209589.db2.gz MUGSOCWILNZIFA-UHFFFAOYSA-N 1 2 360.332 3.302 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000057814048 221094556 /nfs/dbraw/zinc/09/45/56/221094556.db2.gz ABGMTSIQRMPNKL-GOSISDBHSA-N 1 2 371.462 3.446 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000057814048 221094558 /nfs/dbraw/zinc/09/45/58/221094558.db2.gz ABGMTSIQRMPNKL-GOSISDBHSA-N 1 2 371.462 3.446 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000073413624 132303090 /nfs/dbraw/zinc/30/30/90/132303090.db2.gz VCUUNVYLIPTSIY-UHFFFAOYSA-N 1 2 363.421 3.103 20 5 FGBDLO Cn1ccnc1[C@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000573943381 505657351 /nfs/dbraw/zinc/65/73/51/505657351.db2.gz YUVPSVLCGJXIOU-CYBMUJFWSA-N 1 2 374.388 3.303 20 5 FGBDLO CCOc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000080765185 493775515 /nfs/dbraw/zinc/77/55/15/493775515.db2.gz UNIOGIPSJYBWSJ-GOSISDBHSA-N 1 2 371.437 3.479 20 5 FGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000028094573 493776198 /nfs/dbraw/zinc/77/61/98/493776198.db2.gz RRMBACKDLHWWTC-UHFFFAOYSA-N 1 2 365.842 3.268 20 5 FGBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000028986164 493810817 /nfs/dbraw/zinc/81/08/17/493810817.db2.gz PKKJPOUQKXJRMO-UHFFFAOYSA-N 1 2 353.422 3.115 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000068476594 493826703 /nfs/dbraw/zinc/82/67/03/493826703.db2.gz AFLYKDRIPWRLFV-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000068476594 493826707 /nfs/dbraw/zinc/82/67/07/493826707.db2.gz AFLYKDRIPWRLFV-JTQLQIEISA-N 1 2 360.357 3.204 20 5 FGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000003540806 493852131 /nfs/dbraw/zinc/85/21/31/493852131.db2.gz YWJZCZKCKANPRI-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000003540806 493852136 /nfs/dbraw/zinc/85/21/36/493852136.db2.gz YWJZCZKCKANPRI-CYBMUJFWSA-N 1 2 373.409 3.071 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000081318180 493868394 /nfs/dbraw/zinc/86/83/94/493868394.db2.gz XWGVDZUCKQAPDZ-CYBMUJFWSA-N 1 2 356.407 3.104 20 5 FGBDLO O=[N+]([O-])c1c(NCc2ccccc2Cn2cc[nH+]c2)nc2sccn21 ZINC000060446089 493933848 /nfs/dbraw/zinc/93/38/48/493933848.db2.gz YOJJTOXXYYOXTF-UHFFFAOYSA-N 1 2 354.395 3.161 20 5 FGBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000051098205 493948712 /nfs/dbraw/zinc/94/87/12/493948712.db2.gz MAVUCBRZKPTEOS-UHFFFAOYSA-N 1 2 365.480 3.421 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000051996586 493997719 /nfs/dbraw/zinc/99/77/19/493997719.db2.gz ZYJJBRIYCDOUAT-JSGCOSHPSA-N 1 2 372.368 3.348 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000051996586 493997721 /nfs/dbraw/zinc/99/77/21/493997721.db2.gz ZYJJBRIYCDOUAT-JSGCOSHPSA-N 1 2 372.368 3.348 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000052589813 494043852 /nfs/dbraw/zinc/04/38/52/494043852.db2.gz WZJPYTKHQPRCPM-UHFFFAOYSA-N 1 2 357.410 3.119 20 5 FGBDLO Cc1ccc(CN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000052589813 494043856 /nfs/dbraw/zinc/04/38/56/494043856.db2.gz WZJPYTKHQPRCPM-UHFFFAOYSA-N 1 2 357.410 3.119 20 5 FGBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090715 494048100 /nfs/dbraw/zinc/04/81/00/494048100.db2.gz KXEGXUAXOWRWHA-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090715 494048103 /nfs/dbraw/zinc/04/81/03/494048103.db2.gz KXEGXUAXOWRWHA-CABCVRRESA-N 1 2 360.863 3.036 20 5 FGBDLO C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070727988 494051915 /nfs/dbraw/zinc/05/19/15/494051915.db2.gz FWSULEFFGXUDFH-LBPRGKRZSA-N 1 2 366.381 3.200 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000052865580 494068956 /nfs/dbraw/zinc/06/89/56/494068956.db2.gz YFJTXSHFVIWWBV-KRWDZBQOSA-N 1 2 369.421 3.215 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000052865580 494068961 /nfs/dbraw/zinc/06/89/61/494068961.db2.gz YFJTXSHFVIWWBV-KRWDZBQOSA-N 1 2 369.421 3.215 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000053211126 494105265 /nfs/dbraw/zinc/10/52/65/494105265.db2.gz ZBTUUNZGYUFRDK-INIZCTEOSA-N 1 2 369.356 3.379 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000053631954 494153148 /nfs/dbraw/zinc/15/31/48/494153148.db2.gz ZSPRURNRDQBCNJ-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072529266 494194443 /nfs/dbraw/zinc/19/44/43/494194443.db2.gz FAODTZQNIPUEQG-MRXNPFEDSA-N 1 2 350.378 3.042 20 5 FGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000065734282 494231055 /nfs/dbraw/zinc/23/10/55/494231055.db2.gz QDDBSWDZVWARDW-UHFFFAOYSA-N 1 2 361.361 3.374 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000054516389 494243413 /nfs/dbraw/zinc/24/34/13/494243413.db2.gz NDNVQSRHYQADCB-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605553 494252232 /nfs/dbraw/zinc/25/22/32/494252232.db2.gz NSPJXCWSQZBTQJ-CABCVRRESA-N 1 2 353.422 3.219 20 5 FGBDLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088605553 494252235 /nfs/dbraw/zinc/25/22/35/494252235.db2.gz NSPJXCWSQZBTQJ-CABCVRRESA-N 1 2 353.422 3.219 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607964 494253404 /nfs/dbraw/zinc/25/34/04/494253404.db2.gz KSYVMWCRXIOGGH-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607964 494253407 /nfs/dbraw/zinc/25/34/07/494253407.db2.gz KSYVMWCRXIOGGH-INIZCTEOSA-N 1 2 367.449 3.009 20 5 FGBDLO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000073113052 494324080 /nfs/dbraw/zinc/32/40/80/494324080.db2.gz YAQPVHXHXWXLSL-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000073113052 494324084 /nfs/dbraw/zinc/32/40/84/494324084.db2.gz YAQPVHXHXWXLSL-CABCVRRESA-N 1 2 361.442 3.027 20 5 FGBDLO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016475623 494392138 /nfs/dbraw/zinc/39/21/38/494392138.db2.gz WOZNRHYSCWJANU-PHIMTYICSA-N 1 2 370.247 3.274 20 5 FGBDLO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000016475623 494392142 /nfs/dbraw/zinc/39/21/42/494392142.db2.gz WOZNRHYSCWJANU-PHIMTYICSA-N 1 2 370.247 3.274 20 5 FGBDLO Cc1sc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000045141016 494400470 /nfs/dbraw/zinc/40/04/70/494400470.db2.gz MFJCDTUHTMLDPI-UHFFFAOYSA-N 1 2 356.407 3.140 20 5 FGBDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000079255671 494425996 /nfs/dbraw/zinc/42/59/96/494425996.db2.gz VGODKHIMAZCQIZ-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046341595 494517324 /nfs/dbraw/zinc/51/73/24/494517324.db2.gz CDMMSOFQYDZPLB-HUUCEWRRSA-N 1 2 369.421 3.456 20 5 FGBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000056797289 494565612 /nfs/dbraw/zinc/56/56/12/494565612.db2.gz GXBWIIFEGWYKLK-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000574252913 505730994 /nfs/dbraw/zinc/73/09/94/505730994.db2.gz LHBHKOHHKQVEKP-IBGZPJMESA-N 1 2 364.442 3.152 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000574252913 505730998 /nfs/dbraw/zinc/73/09/98/505730998.db2.gz LHBHKOHHKQVEKP-IBGZPJMESA-N 1 2 364.442 3.152 20 5 FGBDLO COC(=O)c1cc(NCc2cn3cccc(C)c3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000091628196 494632419 /nfs/dbraw/zinc/63/24/19/494632419.db2.gz PFTDIGFJAOWVBC-UHFFFAOYSA-N 1 2 354.366 3.258 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121185762 494636526 /nfs/dbraw/zinc/63/65/26/494636526.db2.gz FALJHVZHSJLCFI-BBRMVZONSA-N 1 2 373.434 3.150 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000047540695 494729571 /nfs/dbraw/zinc/72/95/71/494729571.db2.gz AEPFBKJVIMXMPZ-UHFFFAOYSA-N 1 2 357.385 3.128 20 5 FGBDLO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026345972 494820238 /nfs/dbraw/zinc/82/02/38/494820238.db2.gz PYEFLYOBTZWATC-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026345972 494820241 /nfs/dbraw/zinc/82/02/41/494820241.db2.gz PYEFLYOBTZWATC-UHFFFAOYSA-N 1 2 351.765 3.458 20 5 FGBDLO O=C(CCCn1cc[nH+]c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000121695216 494840350 /nfs/dbraw/zinc/84/03/50/494840350.db2.gz FHUGOCLUSVVDQA-UHFFFAOYSA-N 1 2 357.395 3.334 20 5 FGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000027364633 494864940 /nfs/dbraw/zinc/86/49/40/494864940.db2.gz BVLRBGQTXCJGRU-UHFFFAOYSA-N 1 2 368.349 3.006 20 5 FGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000027364633 494864947 /nfs/dbraw/zinc/86/49/47/494864947.db2.gz BVLRBGQTXCJGRU-UHFFFAOYSA-N 1 2 368.349 3.006 20 5 FGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093707209 494913224 /nfs/dbraw/zinc/91/32/24/494913224.db2.gz QCZQSEHFBHDLRC-UHFFFAOYSA-N 1 2 364.398 3.162 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093707209 494913226 /nfs/dbraw/zinc/91/32/26/494913226.db2.gz QCZQSEHFBHDLRC-UHFFFAOYSA-N 1 2 364.398 3.162 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000128178588 495056303 /nfs/dbraw/zinc/05/63/03/495056303.db2.gz ZSDGPUQJMFCPQB-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000128178588 495056305 /nfs/dbraw/zinc/05/63/05/495056305.db2.gz ZSDGPUQJMFCPQB-GFCCVEGCSA-N 1 2 350.444 3.466 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119058383 495082074 /nfs/dbraw/zinc/08/20/74/495082074.db2.gz ZQYWUKVTVOMQAZ-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119058383 495082078 /nfs/dbraw/zinc/08/20/78/495082078.db2.gz ZQYWUKVTVOMQAZ-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123265064 495105203 /nfs/dbraw/zinc/10/52/03/495105203.db2.gz VGCFKEOINZYHFI-UWVGGRQHSA-N 1 2 356.220 3.169 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129203833 495210416 /nfs/dbraw/zinc/21/04/16/495210416.db2.gz AMYLWUALXHKDHX-UHFFFAOYSA-N 1 2 372.400 3.439 20 5 FGBDLO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000129306828 495226140 /nfs/dbraw/zinc/22/61/40/495226140.db2.gz WIWJWESKRKBTHM-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO C[C@@H](CNc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000119862552 495256961 /nfs/dbraw/zinc/25/69/61/495256961.db2.gz LJWRTZFMQNYEID-AWEZNQCLSA-N 1 2 365.393 3.011 20 5 FGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103975131 495263059 /nfs/dbraw/zinc/26/30/59/495263059.db2.gz XLVSQAZECIJKTM-HNNXBMFYSA-N 1 2 371.412 3.182 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)c(F)c1 ZINC000135220887 495264700 /nfs/dbraw/zinc/26/47/00/495264700.db2.gz XJFWPOCZIDSUNW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)c(F)c1 ZINC000135220887 495264703 /nfs/dbraw/zinc/26/47/03/495264703.db2.gz XJFWPOCZIDSUNW-UHFFFAOYSA-N 1 2 361.348 3.476 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239535 495267161 /nfs/dbraw/zinc/26/71/61/495267161.db2.gz CBSIEXOMTYPLGQ-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CN(Cc1ccccc1F)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239535 495267165 /nfs/dbraw/zinc/26/71/65/495267165.db2.gz CBSIEXOMTYPLGQ-UHFFFAOYSA-N 1 2 371.412 3.357 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000571610957 505772381 /nfs/dbraw/zinc/77/23/81/505772381.db2.gz FIPPZDDNNKMGSQ-QMTMVMCOSA-N 1 2 364.442 3.150 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000571610957 505772385 /nfs/dbraw/zinc/77/23/85/505772385.db2.gz FIPPZDDNNKMGSQ-QMTMVMCOSA-N 1 2 364.442 3.150 20 5 FGBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccncc1[N+](=O)[O-] ZINC000124571620 495308790 /nfs/dbraw/zinc/30/87/90/495308790.db2.gz CHWIYTMYNZUYRZ-UHFFFAOYSA-N 1 2 370.413 3.087 20 5 FGBDLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000568806338 505781203 /nfs/dbraw/zinc/78/12/03/505781203.db2.gz GBMPMEHEZCBMKE-UHFFFAOYSA-N 1 2 351.366 3.439 20 5 FGBDLO Cc1cccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000115412820 495500257 /nfs/dbraw/zinc/50/02/57/495500257.db2.gz RHMQRWDAUKTNAI-HNNXBMFYSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000125898954 495516119 /nfs/dbraw/zinc/51/61/19/495516119.db2.gz UWEHMEQFWSRASC-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000125898954 495516122 /nfs/dbraw/zinc/51/61/22/495516122.db2.gz UWEHMEQFWSRASC-AWEZNQCLSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000154314668 495577912 /nfs/dbraw/zinc/57/79/12/495577912.db2.gz JTXISTHDVBPHFJ-RLFYNMQTSA-N 1 2 371.441 3.453 20 5 FGBDLO Cc1csc([C@@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000182611331 495636577 /nfs/dbraw/zinc/63/65/77/495636577.db2.gz WBEVKSMUEQYUML-NSHDSACASA-N 1 2 371.422 3.079 20 5 FGBDLO Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000182765018 495693887 /nfs/dbraw/zinc/69/38/87/495693887.db2.gz BGTUGGVZTPPWKH-UHFFFAOYSA-N 1 2 351.366 3.411 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618535 495950940 /nfs/dbraw/zinc/95/09/40/495950940.db2.gz XVMVWNRJVHDGPI-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618535 495950948 /nfs/dbraw/zinc/95/09/48/495950948.db2.gz XVMVWNRJVHDGPI-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155422161 495952975 /nfs/dbraw/zinc/95/29/75/495952975.db2.gz DUYWINKFRAUXEC-XHBSWPGZSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155422161 495952980 /nfs/dbraw/zinc/95/29/80/495952980.db2.gz DUYWINKFRAUXEC-XHBSWPGZSA-N 1 2 367.833 3.076 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cccc(O)c21 ZINC000155567283 495996866 /nfs/dbraw/zinc/99/68/66/495996866.db2.gz KEGUTPSZFKJDSD-UHFFFAOYSA-N 1 2 364.361 3.079 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494770 496020129 /nfs/dbraw/zinc/02/01/29/496020129.db2.gz HLJGYNMNFIBPJZ-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494770 496020131 /nfs/dbraw/zinc/02/01/31/496020131.db2.gz HLJGYNMNFIBPJZ-JTQLQIEISA-N 1 2 367.327 3.471 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180499960 496022521 /nfs/dbraw/zinc/02/25/21/496022521.db2.gz ZPNJPJUKOXSFDC-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180499960 496022523 /nfs/dbraw/zinc/02/25/23/496022523.db2.gz ZPNJPJUKOXSFDC-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186617847 496075864 /nfs/dbraw/zinc/07/58/64/496075864.db2.gz ZVXLTIVBNBRQGF-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186617847 496075868 /nfs/dbraw/zinc/07/58/68/496075868.db2.gz ZVXLTIVBNBRQGF-VBKZILBWSA-N 1 2 367.405 3.053 20 5 FGBDLO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000180755698 496132916 /nfs/dbraw/zinc/13/29/16/496132916.db2.gz WMIXSGPKDHAORI-UHFFFAOYSA-N 1 2 363.458 3.275 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174907523 496160542 /nfs/dbraw/zinc/16/05/42/496160542.db2.gz KKHLGUXSQXHNHM-UHFFFAOYSA-N 1 2 374.466 3.430 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000183919844 496161976 /nfs/dbraw/zinc/16/19/76/496161976.db2.gz KIRQKTVIUYRZEX-OAHLLOKOSA-N 1 2 359.357 3.043 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000183919844 496161980 /nfs/dbraw/zinc/16/19/80/496161980.db2.gz KIRQKTVIUYRZEX-OAHLLOKOSA-N 1 2 359.357 3.043 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000172121708 496174346 /nfs/dbraw/zinc/17/43/46/496174346.db2.gz QQJHNFJNYJRUEY-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184186803 496277603 /nfs/dbraw/zinc/27/76/03/496277603.db2.gz SSOCGESTKJLGFH-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184186803 496277606 /nfs/dbraw/zinc/27/76/06/496277606.db2.gz SSOCGESTKJLGFH-QGZVFWFLSA-N 1 2 369.421 3.037 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)s1 ZINC000172403089 496284063 /nfs/dbraw/zinc/28/40/63/496284063.db2.gz XYLRCMNUYDXOQM-UHFFFAOYSA-N 1 2 365.480 3.238 20 5 FGBDLO Cn1c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000162135325 496301689 /nfs/dbraw/zinc/30/16/89/496301689.db2.gz PMVCBMGTFBYKKV-UHFFFAOYSA-N 1 2 365.393 3.410 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000184310669 496330206 /nfs/dbraw/zinc/33/02/06/496330206.db2.gz CGFLDIZGISPGPG-HNNXBMFYSA-N 1 2 370.327 3.498 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000162548936 496371644 /nfs/dbraw/zinc/37/16/44/496371644.db2.gz BITGMRWQHKYYAI-UHFFFAOYSA-N 1 2 355.398 3.220 20 5 FGBDLO COc1cc(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000162847509 496421423 /nfs/dbraw/zinc/42/14/23/496421423.db2.gz MUTHBFVVXVFRCV-UHFFFAOYSA-N 1 2 368.349 3.011 20 5 FGBDLO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000184617579 496465340 /nfs/dbraw/zinc/46/53/40/496465340.db2.gz LVZHENOFNHRXAY-NSHDSACASA-N 1 2 372.324 3.275 20 5 FGBDLO Cc1c(-c2cc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)on2)cnn1C ZINC000184681376 496491159 /nfs/dbraw/zinc/49/11/59/496491159.db2.gz IBQBLDLIPIIMSX-UHFFFAOYSA-N 1 2 367.409 3.456 20 5 FGBDLO Cc1c(-c2cc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)on2)cnn1C ZINC000184681376 496491166 /nfs/dbraw/zinc/49/11/66/496491166.db2.gz IBQBLDLIPIIMSX-UHFFFAOYSA-N 1 2 367.409 3.456 20 5 FGBDLO O=[N+]([O-])c1ccccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000181722132 496517537 /nfs/dbraw/zinc/51/75/37/496517537.db2.gz VITZNTLVAXDVIC-UHFFFAOYSA-N 1 2 352.272 3.437 20 5 FGBDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000181950916 496610772 /nfs/dbraw/zinc/61/07/72/496610772.db2.gz MRCFJCKYDYKEIB-KSSFIOAISA-N 1 2 360.435 3.062 20 5 FGBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000181950916 496610776 /nfs/dbraw/zinc/61/07/76/496610776.db2.gz MRCFJCKYDYKEIB-KSSFIOAISA-N 1 2 360.435 3.062 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187960187 496633335 /nfs/dbraw/zinc/63/33/35/496633335.db2.gz SOYPKILVSFRFIX-QGZVFWFLSA-N 1 2 356.357 3.345 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000158507740 496716559 /nfs/dbraw/zinc/71/65/59/496716559.db2.gz AUUBEVMHPZZPEI-UHFFFAOYSA-N 1 2 373.840 3.135 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000191353963 496735138 /nfs/dbraw/zinc/73/51/38/496735138.db2.gz BRPBEMYMMMOENN-UHFFFAOYSA-N 1 2 369.425 3.397 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273451557 496810090 /nfs/dbraw/zinc/81/00/90/496810090.db2.gz YXFDVCGPTNZROZ-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273451557 496810095 /nfs/dbraw/zinc/81/00/95/496810095.db2.gz YXFDVCGPTNZROZ-UHFFFAOYSA-N 1 2 367.352 3.274 20 5 FGBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000273651213 496864902 /nfs/dbraw/zinc/86/49/02/496864902.db2.gz WJOQRJSZPPTWOJ-YUMQZZPRSA-N 1 2 369.834 3.086 20 5 FGBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)n1 ZINC000191792472 496890762 /nfs/dbraw/zinc/89/07/62/496890762.db2.gz XZMLXXFWFLSOSJ-UHFFFAOYSA-N 1 2 354.370 3.207 20 5 FGBDLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189141389 497022325 /nfs/dbraw/zinc/02/23/25/497022325.db2.gz GMKXPRGXWOJLQS-MRXNPFEDSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000274280150 497058690 /nfs/dbraw/zinc/05/86/90/497058690.db2.gz HTLLSTLNPBBZGN-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000189302360 497074941 /nfs/dbraw/zinc/07/49/41/497074941.db2.gz NQBPHTDROOTKJZ-UHFFFAOYSA-N 1 2 374.462 3.032 20 5 FGBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000189302360 497074944 /nfs/dbraw/zinc/07/49/44/497074944.db2.gz NQBPHTDROOTKJZ-UHFFFAOYSA-N 1 2 374.462 3.032 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265842661 497191943 /nfs/dbraw/zinc/19/19/43/497191943.db2.gz QIJBLPQEOWIQDG-MRXNPFEDSA-N 1 2 371.441 3.230 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000572131770 505897461 /nfs/dbraw/zinc/89/74/61/505897461.db2.gz NETADDRFYDRIEX-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000572131770 505897465 /nfs/dbraw/zinc/89/74/65/505897465.db2.gz NETADDRFYDRIEX-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1c(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000279243664 497379037 /nfs/dbraw/zinc/37/90/37/497379037.db2.gz SAPMRQKSNKEONA-GOSISDBHSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000193658211 497439662 /nfs/dbraw/zinc/43/96/62/497439662.db2.gz NYKHBONBMTTXQK-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO COCc1ccccc1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272580642 497668160 /nfs/dbraw/zinc/66/81/60/497668160.db2.gz YBONAKCHBVAEEJ-IBGZPJMESA-N 1 2 366.421 3.354 20 5 FGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268067204 497671723 /nfs/dbraw/zinc/67/17/23/497671723.db2.gz CMDFBZISPVLKQT-UHFFFAOYSA-N 1 2 363.805 3.061 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246495131 497753312 /nfs/dbraw/zinc/75/33/12/497753312.db2.gz DUYWINKFRAUXEC-HSMVNMDESA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246495131 497753315 /nfs/dbraw/zinc/75/33/15/497753315.db2.gz DUYWINKFRAUXEC-HSMVNMDESA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCCO)CC1 ZINC000272957326 497771523 /nfs/dbraw/zinc/77/15/23/497771523.db2.gz NGLCPIPNIIFQMY-GFCCVEGCSA-N 1 2 369.849 3.060 20 5 FGBDLO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280526248 497780617 /nfs/dbraw/zinc/78/06/17/497780617.db2.gz OPGLVBVYKOYLBO-LJQANCHMSA-N 1 2 373.409 3.020 20 5 FGBDLO CC1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280526248 497780619 /nfs/dbraw/zinc/78/06/19/497780619.db2.gz OPGLVBVYKOYLBO-LJQANCHMSA-N 1 2 373.409 3.020 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296056190 497907396 /nfs/dbraw/zinc/90/73/96/497907396.db2.gz ZNFLMDVOVXTEQJ-DOMZBBRYSA-N 1 2 374.466 3.419 20 5 FGBDLO CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cc2)CC1 ZINC000301066998 497937234 /nfs/dbraw/zinc/93/72/34/497937234.db2.gz DFTXDHHHUKVTEK-UHFFFAOYSA-N 1 2 355.398 3.069 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000281150978 498037018 /nfs/dbraw/zinc/03/70/18/498037018.db2.gz HLLSDILIJUWCAN-HNNXBMFYSA-N 1 2 358.398 3.149 20 5 FGBDLO Cc1cccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000301294527 498043631 /nfs/dbraw/zinc/04/36/31/498043631.db2.gz OUIZSIFLEFKCRO-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cn21 ZINC000301391468 498090108 /nfs/dbraw/zinc/09/01/08/498090108.db2.gz HFROAOAWTPWHBD-UHFFFAOYSA-N 1 2 367.365 3.120 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](O)c4ccccc4C3)n2)cc1 ZINC000364742742 498125071 /nfs/dbraw/zinc/12/50/71/498125071.db2.gz UIGOJPYCEBQTSQ-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](O)c4ccccc4C3)n2)cc1 ZINC000364742742 498125076 /nfs/dbraw/zinc/12/50/76/498125076.db2.gz UIGOJPYCEBQTSQ-QGZVFWFLSA-N 1 2 366.377 3.084 20 5 FGBDLO CCOC(=O)c1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000301645032 498203360 /nfs/dbraw/zinc/20/33/60/498203360.db2.gz OXRQXBFQQMDJTJ-GUYCJALGSA-N 1 2 358.398 3.056 20 5 FGBDLO CCc1cc(N[C@H]2CCCC[C@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301680689 498222068 /nfs/dbraw/zinc/22/20/68/498222068.db2.gz UYDNGVQGCQWFPZ-CVEARBPZSA-N 1 2 369.425 3.070 20 5 FGBDLO Cc1cn2c([nH+]1)CN(c1cc(C)c([N+](=O)[O-])cc1Br)CC2 ZINC000365028374 498263505 /nfs/dbraw/zinc/26/35/05/498263505.db2.gz SEBFYZRUSPNKDJ-UHFFFAOYSA-N 1 2 351.204 3.191 20 5 FGBDLO O=[N+]([O-])c1cncc(Br)c1NCCc1cn2ccccc2[nH+]1 ZINC000301828936 498282857 /nfs/dbraw/zinc/28/28/57/498282857.db2.gz GNRYSRUUGBYEDN-UHFFFAOYSA-N 1 2 362.187 3.055 20 5 FGBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859737 498299113 /nfs/dbraw/zinc/29/91/13/498299113.db2.gz DEUWXNFESGSFCL-JKSUJKDBSA-N 1 2 362.817 3.127 20 5 FGBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301859737 498299115 /nfs/dbraw/zinc/29/91/15/498299115.db2.gz DEUWXNFESGSFCL-JKSUJKDBSA-N 1 2 362.817 3.127 20 5 FGBDLO CCOC(=O)c1ccnc(N2CCCC[C@H]2c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000282028388 498362984 /nfs/dbraw/zinc/36/29/84/498362984.db2.gz REDNDQOVWUWGCU-AWEZNQCLSA-N 1 2 373.413 3.115 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361464517 498396185 /nfs/dbraw/zinc/39/61/85/498396185.db2.gz RGRJFLMFFKWMHK-QGZVFWFLSA-N 1 2 359.430 3.058 20 5 FGBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361464517 498396192 /nfs/dbraw/zinc/39/61/92/498396192.db2.gz RGRJFLMFFKWMHK-QGZVFWFLSA-N 1 2 359.430 3.058 20 5 FGBDLO CCc1noc(C)c1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293569756 498414314 /nfs/dbraw/zinc/41/43/14/498414314.db2.gz BFEFIXFQNIHICN-QGZVFWFLSA-N 1 2 355.398 3.066 20 5 FGBDLO CCOc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000302206348 498442608 /nfs/dbraw/zinc/44/26/08/498442608.db2.gz WMIJYNOHIQPXIC-ZDUSSCGKSA-N 1 2 362.455 3.333 20 5 FGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000290271492 498490175 /nfs/dbraw/zinc/49/01/75/498490175.db2.gz WPETVDQNCOJWKA-UHFFFAOYSA-N 1 2 352.293 3.412 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297595719 498505722 /nfs/dbraw/zinc/50/57/22/498505722.db2.gz NCAGLSYPFQITTK-JKIFEVAISA-N 1 2 357.414 3.145 20 5 FGBDLO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365529836 498516701 /nfs/dbraw/zinc/51/67/01/498516701.db2.gz RRWAISITRHHNFS-DLBZAZTESA-N 1 2 359.430 3.121 20 5 FGBDLO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365529836 498516704 /nfs/dbraw/zinc/51/67/04/498516704.db2.gz RRWAISITRHHNFS-DLBZAZTESA-N 1 2 359.430 3.121 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362812738 498559309 /nfs/dbraw/zinc/55/93/09/498559309.db2.gz DJNIFKWXTJNVKO-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000362812738 498559311 /nfs/dbraw/zinc/55/93/11/498559311.db2.gz DJNIFKWXTJNVKO-INIZCTEOSA-N 1 2 368.397 3.024 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010132 498756057 /nfs/dbraw/zinc/75/60/57/498756057.db2.gz WSZAKUFCTPQZNT-YJBOKZPZSA-N 1 2 362.426 3.146 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000291010132 498756064 /nfs/dbraw/zinc/75/60/64/498756064.db2.gz WSZAKUFCTPQZNT-YJBOKZPZSA-N 1 2 362.426 3.146 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363806547 499002527 /nfs/dbraw/zinc/00/25/27/499002527.db2.gz WYKTZUCYKXHCQO-OAHLLOKOSA-N 1 2 356.426 3.293 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363806547 499002533 /nfs/dbraw/zinc/00/25/33/499002533.db2.gz WYKTZUCYKXHCQO-OAHLLOKOSA-N 1 2 356.426 3.293 20 5 FGBDLO Cc1cc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000295543057 499047267 /nfs/dbraw/zinc/04/72/67/499047267.db2.gz XPVPCKXGHXVSDI-UHFFFAOYSA-N 1 2 374.828 3.482 20 5 FGBDLO CCc1nc([C@@H]2CCC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)no1 ZINC000364059121 499103346 /nfs/dbraw/zinc/10/33/46/499103346.db2.gz WDLBLQAUDMXQME-LLVKDONJSA-N 1 2 364.377 3.068 20 5 FGBDLO CCc1nc([C@@H]2CCC[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)no1 ZINC000364059121 499103350 /nfs/dbraw/zinc/10/33/50/499103350.db2.gz WDLBLQAUDMXQME-LLVKDONJSA-N 1 2 364.377 3.068 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000366996729 499131658 /nfs/dbraw/zinc/13/16/58/499131658.db2.gz OSVZJWJNYABCGA-OAHLLOKOSA-N 1 2 370.453 3.247 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000366996729 499131661 /nfs/dbraw/zinc/13/16/61/499131661.db2.gz OSVZJWJNYABCGA-OAHLLOKOSA-N 1 2 370.453 3.247 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367131313 499152549 /nfs/dbraw/zinc/15/25/49/499152549.db2.gz PPGNCQBFRXGXEP-ZDUSSCGKSA-N 1 2 372.400 3.287 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370535351 499229772 /nfs/dbraw/zinc/22/97/72/499229772.db2.gz YCULHPAWUHVJHM-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370535351 499229773 /nfs/dbraw/zinc/22/97/73/499229773.db2.gz YCULHPAWUHVJHM-GOEBONIOSA-N 1 2 369.421 3.083 20 5 FGBDLO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nn2)c1 ZINC000370661618 499241365 /nfs/dbraw/zinc/24/13/65/499241365.db2.gz USAZQDORXMSEEV-CQSZACIVSA-N 1 2 367.409 3.343 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3Cl)C2)c1 ZINC000368225030 499275662 /nfs/dbraw/zinc/27/56/62/499275662.db2.gz GEKDHWVAUWWMPR-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)c1 ZINC000368225030 499275663 /nfs/dbraw/zinc/27/56/63/499275663.db2.gz GEKDHWVAUWWMPR-LLVKDONJSA-N 1 2 356.213 3.330 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000582137889 506142382 /nfs/dbraw/zinc/14/23/82/506142382.db2.gz GDPGKDFFOKUBQK-SHTZXODSSA-N 1 2 354.410 3.451 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3ncon3)o2)c1 ZINC000369008861 499356556 /nfs/dbraw/zinc/35/65/56/499356556.db2.gz GWOKFYJLCYFGCL-AWEZNQCLSA-N 1 2 355.354 3.012 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3c3ncon3)o2)c1 ZINC000369008861 499356558 /nfs/dbraw/zinc/35/65/58/499356558.db2.gz GWOKFYJLCYFGCL-AWEZNQCLSA-N 1 2 355.354 3.012 20 5 FGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000373612809 499479974 /nfs/dbraw/zinc/47/99/74/499479974.db2.gz SGVIDISZRAMCPY-UHFFFAOYSA-N 1 2 362.349 3.422 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)no1 ZINC000378309260 499500232 /nfs/dbraw/zinc/50/02/32/499500232.db2.gz FDUOHBGWKOMVHY-AWEZNQCLSA-N 1 2 369.381 3.321 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)no1 ZINC000378309260 499500234 /nfs/dbraw/zinc/50/02/34/499500234.db2.gz FDUOHBGWKOMVHY-AWEZNQCLSA-N 1 2 369.381 3.321 20 5 FGBDLO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000386560280 499549095 /nfs/dbraw/zinc/54/90/95/499549095.db2.gz NYQFWKULAJEELM-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000386560280 499549097 /nfs/dbraw/zinc/54/90/97/499549097.db2.gz NYQFWKULAJEELM-UHFFFAOYSA-N 1 2 369.421 3.085 20 5 FGBDLO Cc1cc(C)c(CNc2ncc([N+](=O)[O-])c(C)c2Br)c[nH+]1 ZINC000396982140 499563669 /nfs/dbraw/zinc/56/36/69/499563669.db2.gz ONBKWOIJLGDHLK-UHFFFAOYSA-N 1 2 351.204 3.107 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375946836 499570464 /nfs/dbraw/zinc/57/04/64/499570464.db2.gz ITDOZGJOJAHDGT-ZDUSSCGKSA-N 1 2 374.466 3.460 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000377736498 499726748 /nfs/dbraw/zinc/72/67/48/499726748.db2.gz BOEXCZRRDFQALV-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000377736498 499726749 /nfs/dbraw/zinc/72/67/49/499726749.db2.gz BOEXCZRRDFQALV-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000411479012 499745792 /nfs/dbraw/zinc/74/57/92/499745792.db2.gz LREMWWCNIFAKGI-UHFFFAOYSA-N 1 2 353.300 3.447 20 5 FGBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000411479012 499745794 /nfs/dbraw/zinc/74/57/94/499745794.db2.gz LREMWWCNIFAKGI-UHFFFAOYSA-N 1 2 353.300 3.447 20 5 FGBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269937 506172604 /nfs/dbraw/zinc/17/26/04/506172604.db2.gz ADHKJYVPIWJKID-WBVHZDCISA-N 1 2 350.390 3.276 20 5 FGBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000582269937 506172607 /nfs/dbraw/zinc/17/26/07/506172607.db2.gz ADHKJYVPIWJKID-WBVHZDCISA-N 1 2 350.390 3.276 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](N[C@@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417371468 500052180 /nfs/dbraw/zinc/05/21/80/500052180.db2.gz VOWYRRGAUJYJGV-MOPGFXCFSA-N 1 2 364.405 3.279 20 5 FGBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000425375191 500089434 /nfs/dbraw/zinc/08/94/34/500089434.db2.gz YVQAXRONPRPOTG-CQSZACIVSA-N 1 2 369.425 3.419 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421647679 500106086 /nfs/dbraw/zinc/10/60/86/500106086.db2.gz WKSFCEWQYLEKRI-MRXNPFEDSA-N 1 2 354.410 3.433 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000430218043 500210429 /nfs/dbraw/zinc/21/04/29/500210429.db2.gz KXQIKNDSJPTPPY-GOSISDBHSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000430218043 500210432 /nfs/dbraw/zinc/21/04/32/500210432.db2.gz KXQIKNDSJPTPPY-GOSISDBHSA-N 1 2 370.405 3.266 20 5 FGBDLO O=c1[nH]ccc2c1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000426381177 500266782 /nfs/dbraw/zinc/26/67/82/500266782.db2.gz NAURAXFGWYACQV-UHFFFAOYSA-N 1 2 368.418 3.377 20 5 FGBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000426381177 500266783 /nfs/dbraw/zinc/26/67/83/500266783.db2.gz NAURAXFGWYACQV-UHFFFAOYSA-N 1 2 368.418 3.377 20 5 FGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)[C@H]1C ZINC000419336836 500355147 /nfs/dbraw/zinc/35/51/47/500355147.db2.gz AVYUXKJSDPCZHD-VWYCJHECSA-N 1 2 370.247 3.272 20 5 FGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)[C@H]1C ZINC000419336836 500355148 /nfs/dbraw/zinc/35/51/48/500355148.db2.gz AVYUXKJSDPCZHD-VWYCJHECSA-N 1 2 370.247 3.272 20 5 FGBDLO Cc1ccc(OCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000447803776 500665069 /nfs/dbraw/zinc/66/50/69/500665069.db2.gz ULYGNNSRBCATQS-UHFFFAOYSA-N 1 2 371.437 3.226 20 5 FGBDLO CC(C)OCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809322 500666487 /nfs/dbraw/zinc/66/64/87/500666487.db2.gz YDHWISTUOPJZFJ-UHFFFAOYSA-N 1 2 351.447 3.044 20 5 FGBDLO COCC[N@H+](Cc1cncs1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000447837114 500673921 /nfs/dbraw/zinc/67/39/21/500673921.db2.gz ZIBOIFHHFJBARA-UHFFFAOYSA-N 1 2 365.455 3.487 20 5 FGBDLO COCC[N@@H+](Cc1cncs1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000447837114 500673924 /nfs/dbraw/zinc/67/39/24/500673924.db2.gz ZIBOIFHHFJBARA-UHFFFAOYSA-N 1 2 365.455 3.487 20 5 FGBDLO CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443122288 500683153 /nfs/dbraw/zinc/68/31/53/500683153.db2.gz UIUCSHMJVJVQRY-NSHDSACASA-N 1 2 367.203 3.270 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437823505 500701599 /nfs/dbraw/zinc/70/15/99/500701599.db2.gz OWHQTWCWGCQNIE-INIZCTEOSA-N 1 2 369.421 3.249 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437823505 500701601 /nfs/dbraw/zinc/70/16/01/500701601.db2.gz OWHQTWCWGCQNIE-INIZCTEOSA-N 1 2 369.421 3.249 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329476 500710722 /nfs/dbraw/zinc/71/07/22/500710722.db2.gz BNOVSVVQDZJJES-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329476 500710725 /nfs/dbraw/zinc/71/07/25/500710725.db2.gz BNOVSVVQDZJJES-AWEZNQCLSA-N 1 2 361.442 3.345 20 5 FGBDLO CCC(CC)[C@@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000437903693 500714530 /nfs/dbraw/zinc/71/45/30/500714530.db2.gz VGOLITZYSNGPOZ-GOSISDBHSA-N 1 2 374.441 3.352 20 5 FGBDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000448339092 500749224 /nfs/dbraw/zinc/74/92/24/500749224.db2.gz JNYCMVVTKRUKCW-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000448339092 500749226 /nfs/dbraw/zinc/74/92/26/500749226.db2.gz JNYCMVVTKRUKCW-GFCCVEGCSA-N 1 2 361.471 3.430 20 5 FGBDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000444742812 500891735 /nfs/dbraw/zinc/89/17/35/500891735.db2.gz GMZKFVGENDLOCO-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000444742812 500891737 /nfs/dbraw/zinc/89/17/37/500891737.db2.gz GMZKFVGENDLOCO-GOSISDBHSA-N 1 2 357.385 3.280 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592746766 506227515 /nfs/dbraw/zinc/22/75/15/506227515.db2.gz VDACRPVJUOBORQ-UHFFFAOYSA-N 1 2 366.421 3.449 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449386679 500991076 /nfs/dbraw/zinc/99/10/76/500991076.db2.gz JCCKBKSTCDVVQY-SNVBAGLBSA-N 1 2 352.284 3.088 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449386679 500991079 /nfs/dbraw/zinc/99/10/79/500991079.db2.gz JCCKBKSTCDVVQY-SNVBAGLBSA-N 1 2 352.284 3.088 20 5 FGBDLO Cc1ccccc1CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000440316768 500996017 /nfs/dbraw/zinc/99/60/17/500996017.db2.gz PHPNPWNPRIZLEW-UHFFFAOYSA-N 1 2 373.478 3.355 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000449413357 500997769 /nfs/dbraw/zinc/99/77/69/500997769.db2.gz IBRFMXZOOHDMFK-SSDOTTSWSA-N 1 2 370.137 3.333 20 5 FGBDLO C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000611623483 506232968 /nfs/dbraw/zinc/23/29/68/506232968.db2.gz WCSYPKNRODSLLE-IFXJQAMLSA-N 1 2 354.410 3.433 20 5 FGBDLO CC1=CCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436253774 501096198 /nfs/dbraw/zinc/09/61/98/501096198.db2.gz NQFFWDMFBCMNFP-UHFFFAOYSA-N 1 2 358.423 3.309 20 5 FGBDLO CC1=CCC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436253774 501096200 /nfs/dbraw/zinc/09/62/00/501096200.db2.gz NQFFWDMFBCMNFP-UHFFFAOYSA-N 1 2 358.423 3.309 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000450487930 501134395 /nfs/dbraw/zinc/13/43/95/501134395.db2.gz NSBWHHQVQGHLHP-UHFFFAOYSA-N 1 2 367.409 3.321 20 5 FGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCCC[C@H]12 ZINC000450538064 501148890 /nfs/dbraw/zinc/14/88/90/501148890.db2.gz YDOFDDYWRDAJQM-BMFZPTHFSA-N 1 2 354.410 3.431 20 5 FGBDLO CC[C@]1(CO)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602624890 506236712 /nfs/dbraw/zinc/23/67/12/506236712.db2.gz PGNAHDPIHGAKML-ZDUSSCGKSA-N 1 2 363.277 3.403 20 5 FGBDLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602624890 506236719 /nfs/dbraw/zinc/23/67/19/506236719.db2.gz PGNAHDPIHGAKML-ZDUSSCGKSA-N 1 2 363.277 3.403 20 5 FGBDLO CC(C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 ZINC000450619191 501167854 /nfs/dbraw/zinc/16/78/54/501167854.db2.gz UNNLQYQHIXIRDY-UHFFFAOYSA-N 1 2 370.453 3.212 20 5 FGBDLO CCc1cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450825887 501214278 /nfs/dbraw/zinc/21/42/78/501214278.db2.gz FTRXPRPXNYBKQY-LRDDRELGSA-N 1 2 364.409 3.351 20 5 FGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450833427 501215224 /nfs/dbraw/zinc/21/52/24/501215224.db2.gz SXBCJADSMHEKSR-PRHODGIISA-N 1 2 350.762 3.349 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436869677 501224730 /nfs/dbraw/zinc/22/47/30/501224730.db2.gz KDTHLUNVNAHFCE-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436869677 501224731 /nfs/dbraw/zinc/22/47/31/501224731.db2.gz KDTHLUNVNAHFCE-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[C@H]1C ZINC000451365902 501276077 /nfs/dbraw/zinc/27/60/77/501276077.db2.gz HOCGNMNKZBIKKM-ZBFHGGJFSA-N 1 2 372.425 3.058 20 5 FGBDLO Cc1cc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453255907 501301109 /nfs/dbraw/zinc/30/11/09/501301109.db2.gz FTZJUTSNYLORFI-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO Cc1cc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453255907 501301110 /nfs/dbraw/zinc/30/11/10/501301110.db2.gz FTZJUTSNYLORFI-INIZCTEOSA-N 1 2 358.398 3.269 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@@H]2CC(=O)N(CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453375553 501321715 /nfs/dbraw/zinc/32/17/15/501321715.db2.gz XDSVODHGKYAVSE-KUHUBIRLSA-N 1 2 357.410 3.050 20 5 FGBDLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451554487 501322591 /nfs/dbraw/zinc/32/25/91/501322591.db2.gz ZZSLILIAIIGLSW-AWEZNQCLSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451554487 501322593 /nfs/dbraw/zinc/32/25/93/501322593.db2.gz ZZSLILIAIIGLSW-AWEZNQCLSA-N 1 2 360.439 3.178 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000453573008 501350840 /nfs/dbraw/zinc/35/08/40/501350840.db2.gz GCTYRXXDLAFVOG-UHFFFAOYSA-N 1 2 359.455 3.036 20 5 FGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1(C)C ZINC000452455168 501504187 /nfs/dbraw/zinc/50/41/87/501504187.db2.gz WNJYCHDYYUMSAN-OAHLLOKOSA-N 1 2 353.382 3.033 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000452840450 501571999 /nfs/dbraw/zinc/57/19/99/501571999.db2.gz GCLTUUJUJKNTIR-QGZVFWFLSA-N 1 2 372.425 3.015 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc2n1[C@H](C)CO ZINC000456696793 501579770 /nfs/dbraw/zinc/57/97/70/501579770.db2.gz CXQWPDBQCJBEKN-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2n1[C@@H](C)CO ZINC000456699316 501580232 /nfs/dbraw/zinc/58/02/32/501580232.db2.gz FFPHSFLRCKHQAQ-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459062249 501585831 /nfs/dbraw/zinc/58/58/31/501585831.db2.gz QPTRMSSYRHNYPA-CYBMUJFWSA-N 1 2 357.414 3.246 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000456721707 501586364 /nfs/dbraw/zinc/58/63/64/501586364.db2.gz QZAWWSVDTCALBL-LBPRGKRZSA-N 1 2 368.393 3.367 20 5 FGBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[nH]1 ZINC000602691753 506261959 /nfs/dbraw/zinc/26/19/59/506261959.db2.gz RTUQWCANKVBFEF-UHFFFAOYSA-N 1 2 374.264 3.124 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2[nH+]ccn21 ZINC000459118013 501597173 /nfs/dbraw/zinc/59/71/73/501597173.db2.gz PNZOIVNVIBHVHO-BLLLJJGKSA-N 1 2 355.398 3.171 20 5 FGBDLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000456844162 501608984 /nfs/dbraw/zinc/60/89/84/501608984.db2.gz HUUGWNHVEGITKQ-LBPRGKRZSA-N 1 2 363.801 3.344 20 5 FGBDLO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000596118846 506266514 /nfs/dbraw/zinc/26/65/14/506266514.db2.gz GJILNIPXGOFABQ-LLVKDONJSA-N 1 2 364.352 3.050 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457310248 501679763 /nfs/dbraw/zinc/67/97/63/501679763.db2.gz IZYOLUIQTHOBHK-CYBMUJFWSA-N 1 2 362.455 3.320 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2c(s1)CCC2 ZINC000459638252 501691363 /nfs/dbraw/zinc/69/13/63/501691363.db2.gz TYPAWKLZFJSELX-SNVBAGLBSA-N 1 2 361.423 3.257 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950711 501867983 /nfs/dbraw/zinc/86/79/83/501867983.db2.gz VGGIYWUUJVTXRY-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000470950711 501867989 /nfs/dbraw/zinc/86/79/89/501867989.db2.gz VGGIYWUUJVTXRY-CABZTGNLSA-N 1 2 356.304 3.418 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000478056754 501868221 /nfs/dbraw/zinc/86/82/21/501868221.db2.gz XVSAOAANLODNAH-GOSISDBHSA-N 1 2 373.453 3.125 20 5 FGBDLO O=C1[C@H]([N@H+]2CCOC3(C2)CCCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000478056754 501868226 /nfs/dbraw/zinc/86/82/26/501868226.db2.gz XVSAOAANLODNAH-GOSISDBHSA-N 1 2 373.453 3.125 20 5 FGBDLO CCN(CC)C(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599034540 506287587 /nfs/dbraw/zinc/28/75/87/506287587.db2.gz FSZWOZKRYDWRDS-UHFFFAOYSA-N 1 2 356.426 3.228 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000464772822 502088940 /nfs/dbraw/zinc/08/89/40/502088940.db2.gz MYEIGCHQBYZMHR-MLGOLLRUSA-N 1 2 367.471 3.004 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000464772822 502088945 /nfs/dbraw/zinc/08/89/45/502088945.db2.gz MYEIGCHQBYZMHR-MLGOLLRUSA-N 1 2 367.471 3.004 20 5 FGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000471630351 502093410 /nfs/dbraw/zinc/09/34/10/502093410.db2.gz YIZAUBZLQSUOGZ-KRWDZBQOSA-N 1 2 356.426 3.092 20 5 FGBDLO C[C@H](c1nccs1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000468541643 502098544 /nfs/dbraw/zinc/09/85/44/502098544.db2.gz HUFAPYTUKBKMMJ-ZDTYVGOBSA-N 1 2 358.467 3.443 20 5 FGBDLO C[C@H](c1nccs1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000468541643 502098547 /nfs/dbraw/zinc/09/85/47/502098547.db2.gz HUFAPYTUKBKMMJ-ZDTYVGOBSA-N 1 2 358.467 3.443 20 5 FGBDLO CSc1cccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000486438998 502154454 /nfs/dbraw/zinc/15/44/54/502154454.db2.gz ZRQAJUXPRLBFRR-ZDUSSCGKSA-N 1 2 359.407 3.005 20 5 FGBDLO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468883907 502216973 /nfs/dbraw/zinc/21/69/73/502216973.db2.gz JEKYZMTWUQTIMP-UHFFFAOYSA-N 1 2 357.410 3.072 20 5 FGBDLO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469019939 502265970 /nfs/dbraw/zinc/26/59/70/502265970.db2.gz RXFWZMILRUDBAR-UHFFFAOYSA-N 1 2 369.421 3.216 20 5 FGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483238994 502323381 /nfs/dbraw/zinc/32/33/81/502323381.db2.gz DTFMHSSOKSEVGD-CYBMUJFWSA-N 1 2 368.393 3.169 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000483439610 502393562 /nfs/dbraw/zinc/39/35/62/502393562.db2.gz FEPNCASZLFIUGL-MRXNPFEDSA-N 1 2 355.394 3.294 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000483439610 502393565 /nfs/dbraw/zinc/39/35/65/502393565.db2.gz FEPNCASZLFIUGL-MRXNPFEDSA-N 1 2 355.394 3.294 20 5 FGBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(Nc4ccccc4)[nH+]cn3)CC2)n1 ZINC000596214576 506314223 /nfs/dbraw/zinc/31/42/23/506314223.db2.gz WGPSOXRCESATTF-UHFFFAOYSA-N 1 2 365.397 3.166 20 5 FGBDLO CCc1cc(N(CC)CCC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000473200942 502540867 /nfs/dbraw/zinc/54/08/67/502540867.db2.gz MBXCPPPLOLPTFH-UHFFFAOYSA-N 1 2 358.398 3.004 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000484018702 502551726 /nfs/dbraw/zinc/55/17/26/502551726.db2.gz XWLIMRXXLBJTOF-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000484018702 502551729 /nfs/dbraw/zinc/55/17/29/502551729.db2.gz XWLIMRXXLBJTOF-CQSZACIVSA-N 1 2 369.421 3.297 20 5 FGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000582605363 506322612 /nfs/dbraw/zinc/32/26/12/506322612.db2.gz UIGIPJLDJDTIFU-UHFFFAOYSA-N 1 2 354.366 3.287 20 5 FGBDLO COc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000477058359 502664353 /nfs/dbraw/zinc/66/43/53/502664353.db2.gz JOTFLASGODIHEP-UHFFFAOYSA-N 1 2 350.378 3.352 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000470176497 502696297 /nfs/dbraw/zinc/69/62/97/502696297.db2.gz WTTQNWPTICBXPU-GHRIWEEISA-N 1 2 352.438 3.211 20 5 FGBDLO Cc1cccc(C)c1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000484884002 502765197 /nfs/dbraw/zinc/76/51/97/502765197.db2.gz MDCURTCWTINMCG-UHFFFAOYSA-N 1 2 364.405 3.370 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463420522 502793979 /nfs/dbraw/zinc/79/39/79/502793979.db2.gz UIRJWRWLRPRXBY-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463420522 502793982 /nfs/dbraw/zinc/79/39/82/502793982.db2.gz UIRJWRWLRPRXBY-CYBMUJFWSA-N 1 2 367.405 3.175 20 5 FGBDLO CCC(CC)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000488772173 502808466 /nfs/dbraw/zinc/80/84/66/502808466.db2.gz STSXETIXVGJESF-UHFFFAOYSA-N 1 2 351.447 3.044 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602881526 506335999 /nfs/dbraw/zinc/33/59/99/506335999.db2.gz QWMHXVMBMRXMKP-ZDUSSCGKSA-N 1 2 351.204 3.418 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602881526 506336000 /nfs/dbraw/zinc/33/60/00/506336000.db2.gz QWMHXVMBMRXMKP-ZDUSSCGKSA-N 1 2 351.204 3.418 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488966691 502849491 /nfs/dbraw/zinc/84/94/91/502849491.db2.gz AJWODGIZWMOSJF-HNNXBMFYSA-N 1 2 361.373 3.181 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488966691 502849495 /nfs/dbraw/zinc/84/94/95/502849495.db2.gz AJWODGIZWMOSJF-HNNXBMFYSA-N 1 2 361.373 3.181 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000505250748 502877705 /nfs/dbraw/zinc/87/77/05/502877705.db2.gz HIRFJAPYJLJBMW-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000505250748 502877707 /nfs/dbraw/zinc/87/77/07/502877707.db2.gz HIRFJAPYJLJBMW-ZDUSSCGKSA-N 1 2 360.439 3.178 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000593018742 506339796 /nfs/dbraw/zinc/33/97/96/506339796.db2.gz FANGOSXCELIPDK-NSHDSACASA-N 1 2 362.357 3.380 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3conc3Cc3ccccc3)nc2c1 ZINC000513270173 502893455 /nfs/dbraw/zinc/89/34/55/502893455.db2.gz AMPKWGUWRALAML-UHFFFAOYSA-N 1 2 363.377 3.340 20 5 FGBDLO COc1cc(C[NH2+]Cc2ccsc2Br)c([N+](=O)[O-])cc1O ZINC000509441158 502904365 /nfs/dbraw/zinc/90/43/65/502904365.db2.gz VVUVORUSQXIUQM-UHFFFAOYSA-N 1 2 373.228 3.423 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000593021090 506340960 /nfs/dbraw/zinc/34/09/60/506340960.db2.gz LBVAEKOMYIXOGY-HNNXBMFYSA-N 1 2 374.397 3.129 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505482743 502912686 /nfs/dbraw/zinc/91/26/86/502912686.db2.gz BQZLHMDVQPRJBF-INIZCTEOSA-N 1 2 369.352 3.267 20 5 FGBDLO CCCn1nccc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501561641 503039078 /nfs/dbraw/zinc/03/90/78/503039078.db2.gz MMOROHANJNFTOC-UHFFFAOYSA-N 1 2 368.441 3.457 20 5 FGBDLO COC(=O)[C@@](C)(NCc1c(C)cc(C)[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000602916177 506350942 /nfs/dbraw/zinc/35/09/42/506350942.db2.gz RWLULNOICZNYIA-IBGZPJMESA-N 1 2 357.410 3.093 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490051039 503100049 /nfs/dbraw/zinc/10/00/49/503100049.db2.gz TZGVLDMWULCNOX-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO Cc1ccccc1CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490051039 503100055 /nfs/dbraw/zinc/10/00/55/503100055.db2.gz TZGVLDMWULCNOX-UHFFFAOYSA-N 1 2 367.449 3.227 20 5 FGBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccccn1 ZINC000596311978 506352830 /nfs/dbraw/zinc/35/28/30/506352830.db2.gz HUUXGFNRVUBOIO-HNNXBMFYSA-N 1 2 356.426 3.038 20 5 FGBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000514694436 503169917 /nfs/dbraw/zinc/16/99/17/503169917.db2.gz DGFNIUGLJVPHMA-UHFFFAOYSA-N 1 2 370.796 3.293 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000507158727 503240079 /nfs/dbraw/zinc/24/00/79/503240079.db2.gz JRWANFWTJFRNMS-LLVKDONJSA-N 1 2 371.784 3.320 20 5 FGBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000502906710 503305029 /nfs/dbraw/zinc/30/50/29/503305029.db2.gz INQNPPCOZLLNBH-HXUWFJFHSA-N 1 2 371.412 3.437 20 5 FGBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000502906710 503305031 /nfs/dbraw/zinc/30/50/31/503305031.db2.gz INQNPPCOZLLNBH-HXUWFJFHSA-N 1 2 371.412 3.437 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055819 506364689 /nfs/dbraw/zinc/36/46/89/506364689.db2.gz RHVWMZPQWDLEGN-GXTWGEPZSA-N 1 2 369.849 3.465 20 5 FGBDLO CC(C)O[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593055819 506364693 /nfs/dbraw/zinc/36/46/93/506364693.db2.gz RHVWMZPQWDLEGN-GXTWGEPZSA-N 1 2 369.849 3.465 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)cc1SC ZINC000503261444 503379290 /nfs/dbraw/zinc/37/92/90/503379290.db2.gz TWIKCMUUQQMXCQ-UHFFFAOYSA-N 1 2 358.379 3.225 20 5 FGBDLO COc1ccc(-c2ccc(CN3CCn4cc(C)[nH+]c4C3)o2)c([N+](=O)[O-])c1 ZINC000611983837 506381995 /nfs/dbraw/zinc/38/19/95/506381995.db2.gz PUTLAGWSCDEHIE-UHFFFAOYSA-N 1 2 368.393 3.384 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000533057663 503716921 /nfs/dbraw/zinc/71/69/21/503716921.db2.gz QLQKSCOQSPCYCY-CQSZACIVSA-N 1 2 373.457 3.154 20 5 FGBDLO Cc1cc(NCC2([C@H](C)CCO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537193325 503835770 /nfs/dbraw/zinc/83/57/70/503835770.db2.gz DACKPBTWQFVQEJ-CQSZACIVSA-N 1 2 370.453 3.383 20 5 FGBDLO Cc1cccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000547853133 504249595 /nfs/dbraw/zinc/24/95/95/504249595.db2.gz VCKGKHQYRATICQ-UHFFFAOYSA-N 1 2 351.410 3.102 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000541932747 504307129 /nfs/dbraw/zinc/30/71/29/504307129.db2.gz VJJUKGYVVOUFFG-GJZGRUSLSA-N 1 2 371.441 3.227 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542046014 504348182 /nfs/dbraw/zinc/34/81/82/504348182.db2.gz UDLNLNBNLKVGOA-UHFFFAOYSA-N 1 2 352.350 3.179 20 5 FGBDLO O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)nc1 ZINC000545079897 504351312 /nfs/dbraw/zinc/35/13/12/504351312.db2.gz GQOWCBNMZTWMAI-FPYGCLRLSA-N 1 2 374.360 3.320 20 5 FGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000519993878 504395776 /nfs/dbraw/zinc/39/57/76/504395776.db2.gz XKPADHGDTGHWDX-UHFFFAOYSA-N 1 2 352.350 3.393 20 5 FGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000545559768 504526290 /nfs/dbraw/zinc/52/62/90/504526290.db2.gz BUVQAUUZNDNWSB-UHFFFAOYSA-N 1 2 361.361 3.396 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000532098926 504533719 /nfs/dbraw/zinc/53/37/19/504533719.db2.gz GZGCRZSTBWCCDR-UHFFFAOYSA-N 1 2 358.348 3.486 20 5 FGBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545888384 504626530 /nfs/dbraw/zinc/62/65/30/504626530.db2.gz NVKSKRVHCFFYQF-UHFFFAOYSA-N 1 2 350.338 3.000 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168504 504710019 /nfs/dbraw/zinc/71/00/19/504710019.db2.gz NFZXERJOZDBUAL-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168504 504710024 /nfs/dbraw/zinc/71/00/24/504710024.db2.gz NFZXERJOZDBUAL-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000536575462 504763881 /nfs/dbraw/zinc/76/38/81/504763881.db2.gz NIODOWDUSCQUGY-UHFFFAOYSA-N 1 2 364.199 3.352 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c(Cl)c1 ZINC000559080612 504777130 /nfs/dbraw/zinc/77/71/30/504777130.db2.gz HGIYPEWEZWDZOK-OKILXGFUSA-N 1 2 364.785 3.108 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c(Cl)c1 ZINC000559080612 504777133 /nfs/dbraw/zinc/77/71/33/504777133.db2.gz HGIYPEWEZWDZOK-OKILXGFUSA-N 1 2 364.785 3.108 20 5 FGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000559138628 504789290 /nfs/dbraw/zinc/78/92/90/504789290.db2.gz LKDCQIOTZLCARS-CQSZACIVSA-N 1 2 359.401 3.318 20 5 FGBDLO Cc1[nH+]c2cc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2n1C1CC1 ZINC000565430204 504885190 /nfs/dbraw/zinc/88/51/90/504885190.db2.gz CSTPCNUUYRKEHV-UHFFFAOYSA-N 1 2 362.393 3.498 20 5 FGBDLO Cc1c(Br)c(N[C@@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000553602485 504959792 /nfs/dbraw/zinc/95/97/92/504959792.db2.gz XVOVUHIQFIRKTQ-GFCCVEGCSA-N 1 2 366.219 3.357 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000554129941 505100660 /nfs/dbraw/zinc/10/06/60/505100660.db2.gz HVANWASNUTXENA-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000554129941 505100662 /nfs/dbraw/zinc/10/06/62/505100662.db2.gz HVANWASNUTXENA-UHFFFAOYSA-N 1 2 367.327 3.391 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000563971875 505292060 /nfs/dbraw/zinc/29/20/60/505292060.db2.gz RJXHVXDXTKYFOW-QAQDUYKDSA-N 1 2 372.421 3.312 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000563971875 505292065 /nfs/dbraw/zinc/29/20/65/505292065.db2.gz RJXHVXDXTKYFOW-QAQDUYKDSA-N 1 2 372.421 3.312 20 5 FGBDLO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552071160 505389662 /nfs/dbraw/zinc/38/96/62/505389662.db2.gz SKZJCZAPNUKWCX-UHFFFAOYSA-N 1 2 354.370 3.494 20 5 FGBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000552079445 505393659 /nfs/dbraw/zinc/39/36/59/505393659.db2.gz MHRWLBOINNQCRT-ZDUSSCGKSA-N 1 2 367.352 3.269 20 5 FGBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000552079445 505393664 /nfs/dbraw/zinc/39/36/64/505393664.db2.gz MHRWLBOINNQCRT-ZDUSSCGKSA-N 1 2 367.352 3.269 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000552093948 505396935 /nfs/dbraw/zinc/39/69/35/505396935.db2.gz DTKWYDJPMMMFHI-UHFFFAOYSA-N 1 2 354.370 3.234 20 5 FGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000564377511 505399414 /nfs/dbraw/zinc/39/94/14/505399414.db2.gz GTVQVRFSCYPGLU-UHFFFAOYSA-N 1 2 353.382 3.387 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000555462223 505436554 /nfs/dbraw/zinc/43/65/54/505436554.db2.gz FUPMXBXPWKQGHR-SECBINFHSA-N 1 2 352.188 3.309 20 5 FGBDLO Cc1ccc2[nH+]c(CNc3ncc(Br)cc3[N+](=O)[O-])cn2c1 ZINC000561880262 505458879 /nfs/dbraw/zinc/45/88/79/505458879.db2.gz FNXARXXOSWMGKD-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000583243900 506670343 /nfs/dbraw/zinc/67/03/43/506670343.db2.gz HXAPDGRYOFGNDM-WFASDCNBSA-N 1 2 366.377 3.427 20 5 FGBDLO CC(C)CCn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000612678496 506686219 /nfs/dbraw/zinc/68/62/19/506686219.db2.gz NKZJNYXYBPSYQV-UHFFFAOYSA-N 1 2 368.397 3.275 20 5 FGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132696 506785854 /nfs/dbraw/zinc/78/58/54/506785854.db2.gz CFISXVVOSVFEML-GFCCVEGCSA-N 1 2 351.204 3.395 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000590370028 506805615 /nfs/dbraw/zinc/80/56/15/506805615.db2.gz SCOOYSKPCYXNRF-KRWDZBQOSA-N 1 2 355.394 3.360 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000590370028 506805620 /nfs/dbraw/zinc/80/56/20/506805620.db2.gz SCOOYSKPCYXNRF-KRWDZBQOSA-N 1 2 355.394 3.360 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026692 506892721 /nfs/dbraw/zinc/89/27/21/506892721.db2.gz NJEFMTBWNZEBIB-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO O=C(C[N@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026692 506892728 /nfs/dbraw/zinc/89/27/28/506892728.db2.gz NJEFMTBWNZEBIB-AWEZNQCLSA-N 1 2 367.833 3.220 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000609494982 506898994 /nfs/dbraw/zinc/89/89/94/506898994.db2.gz PHZBIFMVIRKEHE-ZIAGYGMSSA-N 1 2 372.425 3.224 20 5 FGBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCCO1 ZINC000590677661 506904907 /nfs/dbraw/zinc/90/49/07/506904907.db2.gz SSWKALHKHOOASS-QGZVFWFLSA-N 1 2 372.425 3.106 20 5 FGBDLO Cc1cc(C)cc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000610121265 507107500 /nfs/dbraw/zinc/10/75/00/507107500.db2.gz QCQJCFQCSLIDLC-UHFFFAOYSA-N 1 2 364.405 3.370 20 5 FGBDLO C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610190620 507132462 /nfs/dbraw/zinc/13/24/62/507132462.db2.gz QXWQUVBTJZEGTB-QUCCMNQESA-N 1 2 362.389 3.241 20 5 FGBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000610304476 507186003 /nfs/dbraw/zinc/18/60/03/507186003.db2.gz JDSTZEKBDKMTGP-QGZVFWFLSA-N 1 2 368.368 3.181 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304490 507186233 /nfs/dbraw/zinc/18/62/33/507186233.db2.gz KWIZRPKLIBBYEN-SFHVURJKSA-N 1 2 364.405 3.351 20 5 FGBDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594709179 507246987 /nfs/dbraw/zinc/24/69/87/507246987.db2.gz DKQGJFXJVMKECY-DTWKUNHWSA-N 1 2 354.819 3.383 20 5 FGBDLO C[N@@H+]1CCO[C@@H](CSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000591955013 507427503 /nfs/dbraw/zinc/42/75/03/507427503.db2.gz AOPKTVJZTJBUHI-MRXNPFEDSA-N 1 2 372.446 3.249 20 5 FGBDLO C[N@H+]1CCO[C@@H](CSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000591955013 507427507 /nfs/dbraw/zinc/42/75/07/507427507.db2.gz AOPKTVJZTJBUHI-MRXNPFEDSA-N 1 2 372.446 3.249 20 5 FGBDLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592134093 507498633 /nfs/dbraw/zinc/49/86/33/507498633.db2.gz MBMZUQFJWQDOMR-DGCLKSJQSA-N 1 2 355.822 3.075 20 5 FGBDLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592134093 507498638 /nfs/dbraw/zinc/49/86/38/507498638.db2.gz MBMZUQFJWQDOMR-DGCLKSJQSA-N 1 2 355.822 3.075 20 5 FGBDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595455482 507507858 /nfs/dbraw/zinc/50/78/58/507507858.db2.gz QLBKKWDVALDLEV-LJQANCHMSA-N 1 2 373.409 3.032 20 5 FGBDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595455482 507507866 /nfs/dbraw/zinc/50/78/66/507507866.db2.gz QLBKKWDVALDLEV-LJQANCHMSA-N 1 2 373.409 3.032 20 5 FGBDLO Cc1noc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000595517855 507541056 /nfs/dbraw/zinc/54/10/56/507541056.db2.gz FVIOPIMFINZJFH-CQSZACIVSA-N 1 2 360.197 3.195 20 5 FGBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523050 507543551 /nfs/dbraw/zinc/54/35/51/507543551.db2.gz GSADTLLUKAPODQ-GOSISDBHSA-N 1 2 367.409 3.203 20 5 FGBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523050 507543555 /nfs/dbraw/zinc/54/35/55/507543555.db2.gz GSADTLLUKAPODQ-GOSISDBHSA-N 1 2 367.409 3.203 20 5 FGBDLO COc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000611180108 507549929 /nfs/dbraw/zinc/54/99/29/507549929.db2.gz RUXOWZOAONTOEO-UHFFFAOYSA-N 1 2 364.295 3.436 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC[NH+](CC(F)F)CC1 ZINC000602383511 507688915 /nfs/dbraw/zinc/68/89/15/507688915.db2.gz QDEVCSWBQWCRDB-UHFFFAOYSA-N 1 2 364.352 3.059 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000614923421 507694581 /nfs/dbraw/zinc/69/45/81/507694581.db2.gz AEZKYNWQZDAXRR-CQSZACIVSA-N 1 2 366.311 3.286 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000614923421 507694589 /nfs/dbraw/zinc/69/45/89/507694589.db2.gz AEZKYNWQZDAXRR-CQSZACIVSA-N 1 2 366.311 3.286 20 5 FGBDLO C[C@@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473616 507697933 /nfs/dbraw/zinc/69/79/33/507697933.db2.gz ZOLPRRPOICETFT-DYESRHJHSA-N 1 2 369.465 3.273 20 5 FGBDLO C[C@@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473616 507697937 /nfs/dbraw/zinc/69/79/37/507697937.db2.gz ZOLPRRPOICETFT-DYESRHJHSA-N 1 2 369.465 3.273 20 5 FGBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736817543 599172747 /nfs/dbraw/zinc/17/27/47/599172747.db2.gz CVGDJQYQHIJGEX-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736817543 599172748 /nfs/dbraw/zinc/17/27/48/599172748.db2.gz CVGDJQYQHIJGEX-UHFFFAOYSA-N 1 2 358.789 3.060 20 5 FGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183901407 705909582 /nfs/dbraw/zinc/90/95/82/705909582.db2.gz BZONTHVTSFZDMH-CQSZACIVSA-N 1 2 369.190 3.320 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4cn[nH]c4C3)cs2)c1 ZINC000374544719 713929707 /nfs/dbraw/zinc/92/97/07/713929707.db2.gz HRKZYJPPNIZHGP-ZDUSSCGKSA-N 1 2 355.423 3.089 20 5 FGBDLO C[C@@H](c1ccsc1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088341 723477924 /nfs/dbraw/zinc/47/79/24/723477924.db2.gz SCXFPOHKUJNKNR-KBXCAEBGSA-N 1 2 361.467 3.069 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000783570478 724766207 /nfs/dbraw/zinc/76/62/07/724766207.db2.gz JHJGFRNHKKBYKC-ZDUSSCGKSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cccc([C@@H]2CC[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)c1 ZINC000784026033 724814107 /nfs/dbraw/zinc/81/41/07/724814107.db2.gz MLXOVHLXCCUMNG-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cccc([C@@H]2CC[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C2)c1 ZINC000784026033 724814109 /nfs/dbraw/zinc/81/41/09/724814109.db2.gz MLXOVHLXCCUMNG-CYBMUJFWSA-N 1 2 365.231 3.309 20 5 FGBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880028 722538957 /nfs/dbraw/zinc/53/89/57/722538957.db2.gz RWLKIFYVQDAKPD-AAEUAGOBSA-N 1 2 355.460 3.391 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880028 722538958 /nfs/dbraw/zinc/53/89/58/722538958.db2.gz RWLKIFYVQDAKPD-AAEUAGOBSA-N 1 2 355.460 3.391 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Br ZINC000742152980 722552564 /nfs/dbraw/zinc/55/25/64/722552564.db2.gz OWLVSHMWMDVIJZ-ZDUSSCGKSA-N 1 2 365.231 3.076 20 5 FGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Br ZINC000742152980 722552565 /nfs/dbraw/zinc/55/25/65/722552565.db2.gz OWLVSHMWMDVIJZ-ZDUSSCGKSA-N 1 2 365.231 3.076 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH+]c12 ZINC000746540620 722607464 /nfs/dbraw/zinc/60/74/64/722607464.db2.gz QLSYIZVZQQCRSS-UHFFFAOYSA-N 1 2 358.785 3.177 20 5 FGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751358569 722802920 /nfs/dbraw/zinc/80/29/20/722802920.db2.gz JMVKGEMCMBRGCK-UHFFFAOYSA-N 1 2 364.402 3.429 20 5 FGBDLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603417 722816023 /nfs/dbraw/zinc/81/60/23/722816023.db2.gz DKLFXFNUBMMEHR-AAEUAGOBSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603417 722816025 /nfs/dbraw/zinc/81/60/25/722816025.db2.gz DKLFXFNUBMMEHR-AAEUAGOBSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCOC2)CC1 ZINC000761058235 723118451 /nfs/dbraw/zinc/11/84/51/723118451.db2.gz IULCJTRGQNHDMZ-LBPRGKRZSA-N 1 2 367.833 3.078 20 5 FGBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(Cl)cc1Cl ZINC000791422128 723242079 /nfs/dbraw/zinc/24/20/79/723242079.db2.gz JTNIGDWUHPZQBJ-UHFFFAOYSA-N 1 2 374.205 3.048 20 5 FGBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000762478353 723246920 /nfs/dbraw/zinc/24/69/20/723246920.db2.gz GAOVYAHRFQOOOD-UHFFFAOYSA-N 1 2 352.188 3.397 20 5 FGBDLO CN(C)c1cc(COc2c(Br)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000762478551 723246961 /nfs/dbraw/zinc/24/69/61/723246961.db2.gz ZJHDXDBJUNNIMM-UHFFFAOYSA-N 1 2 352.188 3.397 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662151 723539170 /nfs/dbraw/zinc/53/91/70/723539170.db2.gz HTPJVNFKTQEAHG-GXFFZTMASA-N 1 2 355.320 3.084 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000794662151 723539174 /nfs/dbraw/zinc/53/91/74/723539174.db2.gz HTPJVNFKTQEAHG-GXFFZTMASA-N 1 2 355.320 3.084 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000766137236 723558018 /nfs/dbraw/zinc/55/80/18/723558018.db2.gz VAYPSFCVZCLULZ-ZDUSSCGKSA-N 1 2 352.740 3.383 20 5 FGBDLO Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000766577173 723581913 /nfs/dbraw/zinc/58/19/13/723581913.db2.gz HCCDSBZBBSFSQB-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000796009377 723617359 /nfs/dbraw/zinc/61/73/59/723617359.db2.gz GNZFALNCKRIOSC-KRWDZBQOSA-N 1 2 363.801 3.211 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796555384 723643584 /nfs/dbraw/zinc/64/35/84/723643584.db2.gz RYRUUVMEFVEONU-CYBMUJFWSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796555384 723643585 /nfs/dbraw/zinc/64/35/85/723643585.db2.gz RYRUUVMEFVEONU-CYBMUJFWSA-N 1 2 355.822 3.301 20 5 FGBDLO COC(=O)CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000769405275 723684770 /nfs/dbraw/zinc/68/47/70/723684770.db2.gz SPJGXVAKLKEVFU-UHFFFAOYSA-N 1 2 359.220 3.131 20 5 FGBDLO COC(=O)CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000769405275 723684771 /nfs/dbraw/zinc/68/47/71/723684771.db2.gz SPJGXVAKLKEVFU-UHFFFAOYSA-N 1 2 359.220 3.131 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)ccc1Cl ZINC000784407028 724850609 /nfs/dbraw/zinc/85/06/09/724850609.db2.gz VPLWDVUMVSYHBN-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3ncccc3F)CC2)ccc1Cl ZINC000784407028 724850610 /nfs/dbraw/zinc/85/06/10/724850610.db2.gz VPLWDVUMVSYHBN-UHFFFAOYSA-N 1 2 364.808 3.495 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809709941 725261363 /nfs/dbraw/zinc/26/13/63/725261363.db2.gz VTZVPQMMQNLNPJ-ZDUSSCGKSA-N 1 2 355.822 3.301 20 5 FGBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809709941 725261364 /nfs/dbraw/zinc/26/13/64/725261364.db2.gz VTZVPQMMQNLNPJ-ZDUSSCGKSA-N 1 2 355.822 3.301 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000810037029 725283839 /nfs/dbraw/zinc/28/38/39/725283839.db2.gz YBJJHJSWLOKHER-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000810037029 725283840 /nfs/dbraw/zinc/28/38/40/725283840.db2.gz YBJJHJSWLOKHER-HNNXBMFYSA-N 1 2 367.833 3.491 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813093331 726837992 /nfs/dbraw/zinc/83/79/92/726837992.db2.gz KQRXMKDBUYDOQB-SECBINFHSA-N 1 2 369.208 3.265 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000813773335 726913417 /nfs/dbraw/zinc/91/34/17/726913417.db2.gz PSPYFVPMCLVRQM-UHFFFAOYSA-N 1 2 357.801 3.178 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000817538837 727262714 /nfs/dbraw/zinc/26/27/14/727262714.db2.gz JYTGQPDLFHDZID-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000817538837 727262717 /nfs/dbraw/zinc/26/27/17/727262717.db2.gz JYTGQPDLFHDZID-UHFFFAOYSA-N 1 2 355.385 3.013 20 5 FGBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000841687216 730264222 /nfs/dbraw/zinc/26/42/22/730264222.db2.gz ZPFVWQJIRJXBGT-OAHLLOKOSA-N 1 2 350.369 3.351 20 5 FGBDLO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000841687216 730264226 /nfs/dbraw/zinc/26/42/26/730264226.db2.gz ZPFVWQJIRJXBGT-OAHLLOKOSA-N 1 2 350.369 3.351 20 5 FGBDLO C[C@H](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845287528 730827849 /nfs/dbraw/zinc/82/78/49/730827849.db2.gz WMRMSDDQDRWBHL-SNVBAGLBSA-N 1 2 368.187 3.248 20 5 FGBDLO COCC1=CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878454817 736845814 /nfs/dbraw/zinc/84/58/14/736845814.db2.gz JCZCROKGSYFKQH-UHFFFAOYSA-N 1 2 364.789 3.077 20 5 FGBDLO COCC1=CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878454817 736845823 /nfs/dbraw/zinc/84/58/23/736845823.db2.gz JCZCROKGSYFKQH-UHFFFAOYSA-N 1 2 364.789 3.077 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1C ZINC000895849216 742462735 /nfs/dbraw/zinc/46/27/35/742462735.db2.gz URARQXVZTMOOPW-UHFFFAOYSA-N 1 2 359.451 3.061 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1C ZINC000895849216 742462738 /nfs/dbraw/zinc/46/27/38/742462738.db2.gz URARQXVZTMOOPW-UHFFFAOYSA-N 1 2 359.451 3.061 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000907781295 744236920 /nfs/dbraw/zinc/23/69/20/744236920.db2.gz PMHFOETWSRLCOP-SNVBAGLBSA-N 1 2 366.780 3.141 20 5 FGBDLO COc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000926849604 759832717 /nfs/dbraw/zinc/83/27/17/759832717.db2.gz MSYPFKJDRHMALE-QMMMGPOBSA-N 1 2 356.176 3.205 20 5 FGBDLO Cc1cnn([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000930525742 760633078 /nfs/dbraw/zinc/63/30/78/760633078.db2.gz JPNRPYLSWQXZIL-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000930525742 760633084 /nfs/dbraw/zinc/63/30/84/760633084.db2.gz JPNRPYLSWQXZIL-AWEZNQCLSA-N 1 2 365.231 3.309 20 5 FGBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCCn2nccc21 ZINC000931569032 760898802 /nfs/dbraw/zinc/89/88/02/760898802.db2.gz FNDMVPKUGKQVES-GFCCVEGCSA-N 1 2 351.204 3.179 20 5 FGBDLO Cc1cc(C)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C)[nH+]1 ZINC000097366448 222177475 /nfs/dbraw/zinc/17/74/75/222177475.db2.gz SOUQEVWSIXMRAA-UHFFFAOYSA-N 1 2 351.366 3.353 20 5 FGBDLO Cc1cc(NCc2cnn3ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573943860 505657462 /nfs/dbraw/zinc/65/74/62/505657462.db2.gz QIOCLXFFZWLZJS-UHFFFAOYSA-N 1 2 360.377 3.042 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000573980517 505665761 /nfs/dbraw/zinc/66/57/61/505665761.db2.gz WVVVMAXJSSJULP-AWEZNQCLSA-N 1 2 367.409 3.451 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058087407 493824148 /nfs/dbraw/zinc/82/41/48/493824148.db2.gz GNOCWVPTTYABCK-LLVKDONJSA-N 1 2 362.336 3.123 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533450 493843394 /nfs/dbraw/zinc/84/33/94/493843394.db2.gz WHTKZZAWSTYIMX-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533450 493843398 /nfs/dbraw/zinc/84/33/98/493843398.db2.gz WHTKZZAWSTYIMX-SFHVURJKSA-N 1 2 356.378 3.035 20 5 FGBDLO CCOc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000058957050 493897165 /nfs/dbraw/zinc/89/71/65/493897165.db2.gz FZRLNLWNFMEMGB-UHFFFAOYSA-N 1 2 373.409 3.286 20 5 FGBDLO CCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000081855816 493964695 /nfs/dbraw/zinc/96/46/95/493964695.db2.gz PBQUTFGIKZHTMB-UHFFFAOYSA-N 1 2 369.421 3.242 20 5 FGBDLO Cc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032613389 494000306 /nfs/dbraw/zinc/00/03/06/494000306.db2.gz CDPXJGOBLDSWIX-OAHLLOKOSA-N 1 2 356.407 3.218 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000007619699 494031217 /nfs/dbraw/zinc/03/12/17/494031217.db2.gz CPRDJAHGJRQCIX-MRXNPFEDSA-N 1 2 368.437 3.052 20 5 FGBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000007683528 494035777 /nfs/dbraw/zinc/03/57/77/494035777.db2.gz MBZCQKWFGNFCDU-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000007683528 494035782 /nfs/dbraw/zinc/03/57/82/494035782.db2.gz MBZCQKWFGNFCDU-UHFFFAOYSA-N 1 2 363.801 3.327 20 5 FGBDLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589754 494043979 /nfs/dbraw/zinc/04/39/79/494043979.db2.gz IUSVKCDBHGIEOI-MRXNPFEDSA-N 1 2 359.451 3.452 20 5 FGBDLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589754 494043985 /nfs/dbraw/zinc/04/39/85/494043985.db2.gz IUSVKCDBHGIEOI-MRXNPFEDSA-N 1 2 359.451 3.452 20 5 FGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000086233992 494145244 /nfs/dbraw/zinc/14/52/44/494145244.db2.gz QBDYBSPJWUGPDO-ZDUSSCGKSA-N 1 2 355.394 3.303 20 5 FGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000086233992 494145247 /nfs/dbraw/zinc/14/52/47/494145247.db2.gz QBDYBSPJWUGPDO-ZDUSSCGKSA-N 1 2 355.394 3.303 20 5 FGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000086233993 494145585 /nfs/dbraw/zinc/14/55/85/494145585.db2.gz QBDYBSPJWUGPDO-CYBMUJFWSA-N 1 2 355.394 3.303 20 5 FGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000086233993 494145589 /nfs/dbraw/zinc/14/55/89/494145589.db2.gz QBDYBSPJWUGPDO-CYBMUJFWSA-N 1 2 355.394 3.303 20 5 FGBDLO COc1ccc2c(c1)C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000065162720 494176900 /nfs/dbraw/zinc/17/69/00/494176900.db2.gz PMDWKJBRAGZCSI-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000065162720 494176901 /nfs/dbraw/zinc/17/69/01/494176901.db2.gz PMDWKJBRAGZCSI-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000054057935 494190902 /nfs/dbraw/zinc/19/09/02/494190902.db2.gz WGQNVSYUOJLTCW-QPJJXVBHSA-N 1 2 369.396 3.205 20 5 FGBDLO CCc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000072581380 494210065 /nfs/dbraw/zinc/21/00/65/494210065.db2.gz ATYJRIXNBJGXFK-AWEZNQCLSA-N 1 2 360.483 3.493 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000042385235 494221201 /nfs/dbraw/zinc/22/12/01/494221201.db2.gz OGNFRUGUBHUTQC-UHFFFAOYSA-N 1 2 352.350 3.014 20 5 FGBDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605652 494253041 /nfs/dbraw/zinc/25/30/41/494253041.db2.gz VALBPNUCTAQLHT-QGZVFWFLSA-N 1 2 372.425 3.447 20 5 FGBDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605652 494253046 /nfs/dbraw/zinc/25/30/46/494253046.db2.gz VALBPNUCTAQLHT-QGZVFWFLSA-N 1 2 372.425 3.447 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836674 494261729 /nfs/dbraw/zinc/26/17/29/494261729.db2.gz MAALRIGYDRYXKD-MRXNPFEDSA-N 1 2 367.471 3.005 20 5 FGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072836674 494261730 /nfs/dbraw/zinc/26/17/30/494261730.db2.gz MAALRIGYDRYXKD-MRXNPFEDSA-N 1 2 367.471 3.005 20 5 FGBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072836558 494262143 /nfs/dbraw/zinc/26/21/43/494262143.db2.gz PZLBXARSTTZQES-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000072836558 494262145 /nfs/dbraw/zinc/26/21/45/494262145.db2.gz PZLBXARSTTZQES-CQSZACIVSA-N 1 2 357.863 3.260 20 5 FGBDLO Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000072944764 494288172 /nfs/dbraw/zinc/28/81/72/494288172.db2.gz ZUFRKGYHCAKRHA-GFCCVEGCSA-N 1 2 357.414 3.075 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cs1 ZINC000014312120 494314891 /nfs/dbraw/zinc/31/48/91/494314891.db2.gz ZBBDLJJQCYOBFW-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000056385539 494497563 /nfs/dbraw/zinc/49/75/63/494497563.db2.gz NWAZOKNAGJNHIN-AWEZNQCLSA-N 1 2 369.425 3.150 20 5 FGBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000046230321 494506241 /nfs/dbraw/zinc/50/62/41/494506241.db2.gz XSOQRWPSDQHQNL-LJQANCHMSA-N 1 2 357.410 3.089 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599500 494539521 /nfs/dbraw/zinc/53/95/21/494539521.db2.gz HLNXXIISJCLDFE-PBHICJAKSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599500 494539525 /nfs/dbraw/zinc/53/95/25/494539525.db2.gz HLNXXIISJCLDFE-PBHICJAKSA-N 1 2 369.421 3.055 20 5 FGBDLO C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000131489625 494637236 /nfs/dbraw/zinc/63/72/36/494637236.db2.gz HETSEHOHPWYJRN-GWCFXTLKSA-N 1 2 366.219 3.036 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)c1 ZINC000067795049 494649407 /nfs/dbraw/zinc/64/94/07/494649407.db2.gz JZQMGARXZWEJHR-UHFFFAOYSA-N 1 2 368.393 3.082 20 5 FGBDLO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000080239894 494649529 /nfs/dbraw/zinc/64/95/29/494649529.db2.gz CIXCSWHWEVCBEE-GFCCVEGCSA-N 1 2 355.188 3.428 20 5 FGBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815143 494688310 /nfs/dbraw/zinc/68/83/10/494688310.db2.gz LDUCRCXDLNMTEM-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1ccc(C[N@H+]2CCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091815143 494688315 /nfs/dbraw/zinc/68/83/15/494688315.db2.gz LDUCRCXDLNMTEM-OAHLLOKOSA-N 1 2 372.421 3.403 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406776 494699909 /nfs/dbraw/zinc/69/99/09/494699909.db2.gz JWGCUZBMZLXYPU-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406776 494699916 /nfs/dbraw/zinc/69/99/16/494699916.db2.gz JWGCUZBMZLXYPU-UHFFFAOYSA-N 1 2 354.366 3.285 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000116112903 494705005 /nfs/dbraw/zinc/70/50/05/494705005.db2.gz AJEAWLKJUZAHMG-UHFFFAOYSA-N 1 2 370.340 3.152 20 5 FGBDLO CCCCc1[nH]c2ccc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2[nH+]1 ZINC000116175253 494723028 /nfs/dbraw/zinc/72/30/28/494723028.db2.gz JCZXTWZJYVWRAE-UHFFFAOYSA-N 1 2 370.413 3.347 20 5 FGBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1C ZINC000091978404 494740586 /nfs/dbraw/zinc/74/05/86/494740586.db2.gz IJKYVCCILPKQNY-UHFFFAOYSA-N 1 2 359.451 3.231 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116273665 494751060 /nfs/dbraw/zinc/75/10/60/494751060.db2.gz KNTPJPQHOXMDAS-MRXNPFEDSA-N 1 2 359.813 3.311 20 5 FGBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116273665 494751064 /nfs/dbraw/zinc/75/10/64/494751064.db2.gz KNTPJPQHOXMDAS-MRXNPFEDSA-N 1 2 359.813 3.311 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000108638812 494753064 /nfs/dbraw/zinc/75/30/64/494753064.db2.gz DBPKRSNWQIWKTB-UHFFFAOYSA-N 1 2 372.406 3.105 20 5 FGBDLO O=C(Nc1ccc2c(c1)COC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000092049908 494769910 /nfs/dbraw/zinc/76/99/10/494769910.db2.gz JDKKYSMHUOHIFC-UHFFFAOYSA-N 1 2 350.334 3.063 20 5 FGBDLO Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000121532007 494794544 /nfs/dbraw/zinc/79/45/44/494794544.db2.gz HDRNHGFSZGIJDL-UHFFFAOYSA-N 1 2 351.366 3.259 20 5 FGBDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000027869683 494888631 /nfs/dbraw/zinc/88/86/31/494888631.db2.gz RMCXUMQKBAJDPA-OAHLLOKOSA-N 1 2 369.421 3.122 20 5 FGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000093763642 494917183 /nfs/dbraw/zinc/91/71/83/494917183.db2.gz VOLUQODAUSHZIF-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000093763642 494917187 /nfs/dbraw/zinc/91/71/87/494917187.db2.gz VOLUQODAUSHZIF-UHFFFAOYSA-N 1 2 374.393 3.009 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000093928349 494936406 /nfs/dbraw/zinc/93/64/06/494936406.db2.gz NHCORQYTUIMUAK-UHFFFAOYSA-N 1 2 365.393 3.031 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000132876416 494936471 /nfs/dbraw/zinc/93/64/71/494936471.db2.gz BGCHVFXOQLVXSU-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO CCc1nn(C)c(NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000094156923 494955314 /nfs/dbraw/zinc/95/53/14/494955314.db2.gz AMJFURVAQZCWMS-UHFFFAOYSA-N 1 2 358.446 3.278 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccncc3)C3CC3)o2)cc1 ZINC000122322632 494957984 /nfs/dbraw/zinc/95/79/84/494957984.db2.gz AXEYEBAVMWRESJ-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccncc3)C3CC3)o2)cc1 ZINC000122322632 494957987 /nfs/dbraw/zinc/95/79/87/494957987.db2.gz AXEYEBAVMWRESJ-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563165 505752857 /nfs/dbraw/zinc/75/28/57/505752857.db2.gz DMOQKMCAIXDNJC-IAOVAPTHSA-N 1 2 361.442 3.120 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000577563165 505752858 /nfs/dbraw/zinc/75/28/58/505752858.db2.gz DMOQKMCAIXDNJC-IAOVAPTHSA-N 1 2 361.442 3.120 20 5 FGBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056115 495035026 /nfs/dbraw/zinc/03/50/26/495035026.db2.gz OEOLBMPUOFWYDH-SFHVURJKSA-N 1 2 369.465 3.318 20 5 FGBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000111312246 495062749 /nfs/dbraw/zinc/06/27/49/495062749.db2.gz AQDPGUGXACYUAA-HNNXBMFYSA-N 1 2 360.439 3.308 20 5 FGBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000111312246 495062752 /nfs/dbraw/zinc/06/27/52/495062752.db2.gz AQDPGUGXACYUAA-HNNXBMFYSA-N 1 2 360.439 3.308 20 5 FGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101920439 495108250 /nfs/dbraw/zinc/10/82/50/495108250.db2.gz PCWUOLPNQKZKIA-CQSZACIVSA-N 1 2 364.402 3.191 20 5 FGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101920439 495108252 /nfs/dbraw/zinc/10/82/52/495108252.db2.gz PCWUOLPNQKZKIA-CQSZACIVSA-N 1 2 364.402 3.191 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128625302 495126309 /nfs/dbraw/zinc/12/63/09/495126309.db2.gz NMDOVVDHAYMOLY-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)n1cc([N+](=O)[O-])cn1 ZINC000102248319 495126828 /nfs/dbraw/zinc/12/68/28/495126828.db2.gz SWCLQHCFTOEKAL-UHFFFAOYSA-N 1 2 374.788 3.004 20 5 FGBDLO CC(C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000119600841 495198911 /nfs/dbraw/zinc/19/89/11/495198911.db2.gz URNZNNTVIPVFGR-UHFFFAOYSA-N 1 2 353.850 3.423 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccc(F)cc1 ZINC000135221894 495264858 /nfs/dbraw/zinc/26/48/58/495264858.db2.gz TTZXORPRISZJTA-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccc(F)cc1 ZINC000135221894 495264861 /nfs/dbraw/zinc/26/48/61/495264861.db2.gz TTZXORPRISZJTA-UHFFFAOYSA-N 1 2 371.412 3.057 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C1CC1)C1CCCC1 ZINC000135241368 495267079 /nfs/dbraw/zinc/26/70/79/495267079.db2.gz AMJHTJLSZSHDQG-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C1CC1)C1CCCC1 ZINC000135241368 495267080 /nfs/dbraw/zinc/26/70/80/495267080.db2.gz AMJHTJLSZSHDQG-UHFFFAOYSA-N 1 2 357.454 3.493 20 5 FGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125115842 495392511 /nfs/dbraw/zinc/39/25/11/495392511.db2.gz NXQIPFQIDDADBB-UHFFFAOYSA-N 1 2 372.381 3.195 20 5 FGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125115842 495392515 /nfs/dbraw/zinc/39/25/15/495392515.db2.gz NXQIPFQIDDADBB-UHFFFAOYSA-N 1 2 372.381 3.195 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120532684 495399585 /nfs/dbraw/zinc/39/95/85/495399585.db2.gz LPKOUMBGUAEUKO-QGZVFWFLSA-N 1 2 370.453 3.138 20 5 FGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000580530905 505780258 /nfs/dbraw/zinc/78/02/58/505780258.db2.gz FHHONQHNUMHUIW-LBPRGKRZSA-N 1 2 356.357 3.476 20 5 FGBDLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000140439133 495496112 /nfs/dbraw/zinc/49/61/12/495496112.db2.gz FPUANEYQSLSPCL-CQSZACIVSA-N 1 2 370.247 3.416 20 5 FGBDLO CC(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000140439133 495496113 /nfs/dbraw/zinc/49/61/13/495496113.db2.gz FPUANEYQSLSPCL-CQSZACIVSA-N 1 2 370.247 3.416 20 5 FGBDLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000125899206 495515831 /nfs/dbraw/zinc/51/58/31/495515831.db2.gz UWEHMEQFWSRASC-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000125899206 495515835 /nfs/dbraw/zinc/51/58/35/495515835.db2.gz UWEHMEQFWSRASC-CQSZACIVSA-N 1 2 362.451 3.500 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000107178591 495523204 /nfs/dbraw/zinc/52/32/04/495523204.db2.gz WKPDSVZIMRBOQH-UHFFFAOYSA-N 1 2 354.410 3.300 20 5 FGBDLO Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000158624246 495553933 /nfs/dbraw/zinc/55/39/33/495553933.db2.gz XPWFBJQZERIIKD-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000158624246 495553936 /nfs/dbraw/zinc/55/39/36/495553936.db2.gz XPWFBJQZERIIKD-SFHVURJKSA-N 1 2 373.409 3.207 20 5 FGBDLO CS[C@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000154290648 495570274 /nfs/dbraw/zinc/57/02/74/495570274.db2.gz YWALZPFLCYXILU-AWEZNQCLSA-N 1 2 360.439 3.138 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000185459140 495585552 /nfs/dbraw/zinc/58/55/52/495585552.db2.gz JEZSSNDQDMBNGU-HNNXBMFYSA-N 1 2 356.426 3.288 20 5 FGBDLO CCc1[nH]nc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC000170789588 495605746 /nfs/dbraw/zinc/60/57/46/495605746.db2.gz GIZXNSMDLYCTJV-UHFFFAOYSA-N 1 2 353.338 3.320 20 5 FGBDLO C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185522327 495609011 /nfs/dbraw/zinc/60/90/11/495609011.db2.gz WJVNDLITMSCANN-KBPBESRZSA-N 1 2 374.416 3.052 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000154907289 495768357 /nfs/dbraw/zinc/76/83/57/495768357.db2.gz QUEJVNDCFBWTCG-UHFFFAOYSA-N 1 2 361.361 3.443 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183207600 495880756 /nfs/dbraw/zinc/88/07/56/495880756.db2.gz UMUKRFGQEGMBTL-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183207600 495880759 /nfs/dbraw/zinc/88/07/59/495880759.db2.gz UMUKRFGQEGMBTL-UHFFFAOYSA-N 1 2 357.410 3.372 20 5 FGBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(F)c1 ZINC000174248322 495880989 /nfs/dbraw/zinc/88/09/89/495880989.db2.gz IVFJYXMQSPMDLF-UHFFFAOYSA-N 1 2 373.384 3.216 20 5 FGBDLO O=C(NCCc1cc(F)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177086182 495918649 /nfs/dbraw/zinc/91/86/49/495918649.db2.gz GGCMWCSYQOLYFQ-UHFFFAOYSA-N 1 2 372.331 3.031 20 5 FGBDLO CC(C)CSCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160745168 496033181 /nfs/dbraw/zinc/03/31/81/496033181.db2.gz PHMGVEMXMOIBFA-UHFFFAOYSA-N 1 2 362.455 3.290 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156024327 496135888 /nfs/dbraw/zinc/13/58/88/496135888.db2.gz YYCZDHMHLIIMOQ-UHFFFAOYSA-N 1 2 357.385 3.000 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183912350 496159047 /nfs/dbraw/zinc/15/90/47/496159047.db2.gz SSRRAXYIDYIADO-HNNXBMFYSA-N 1 2 355.394 3.151 20 5 FGBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183912350 496159055 /nfs/dbraw/zinc/15/90/55/496159055.db2.gz SSRRAXYIDYIADO-HNNXBMFYSA-N 1 2 355.394 3.151 20 5 FGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000574669727 505827906 /nfs/dbraw/zinc/82/79/06/505827906.db2.gz UZZKPWVSEXJGJY-UHFFFAOYSA-N 1 2 372.473 3.258 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177814226 496206798 /nfs/dbraw/zinc/20/67/98/496206798.db2.gz DWDJCLVWLMKBKN-CQSZACIVSA-N 1 2 356.407 3.311 20 5 FGBDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184173491 496271466 /nfs/dbraw/zinc/27/14/66/496271466.db2.gz VLXOCPDBAGLIHD-HNNXBMFYSA-N 1 2 361.398 3.130 20 5 FGBDLO COc1cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000184221333 496292370 /nfs/dbraw/zinc/29/23/70/496292370.db2.gz ZWPMMIXKAKEOGO-CQSZACIVSA-N 1 2 374.416 3.016 20 5 FGBDLO CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000172566664 496342830 /nfs/dbraw/zinc/34/28/30/496342830.db2.gz HSCQCLDUAZZUCH-DLBZAZTESA-N 1 2 372.425 3.056 20 5 FGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000184385654 496361748 /nfs/dbraw/zinc/36/17/48/496361748.db2.gz HUQPGASNKSFGHX-LLVKDONJSA-N 1 2 351.453 3.237 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000162551049 496372048 /nfs/dbraw/zinc/37/20/48/496372048.db2.gz BWHANVRDTSLHIV-UHFFFAOYSA-N 1 2 360.439 3.314 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238090 496392827 /nfs/dbraw/zinc/39/28/27/496392827.db2.gz VSUNRTZBENPGRJ-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238090 496392831 /nfs/dbraw/zinc/39/28/31/496392831.db2.gz VSUNRTZBENPGRJ-CYBMUJFWSA-N 1 2 373.840 3.311 20 5 FGBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184719887 496506905 /nfs/dbraw/zinc/50/69/05/496506905.db2.gz FYDDEMNRVBXOHC-UKRRQHHQSA-N 1 2 361.398 3.109 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173090493 496545582 /nfs/dbraw/zinc/54/55/82/496545582.db2.gz YCKVBWOHUKVYLO-UHFFFAOYSA-N 1 2 352.394 3.002 20 5 FGBDLO COc1cc(C[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000181804801 496552804 /nfs/dbraw/zinc/55/28/04/496552804.db2.gz NUURXCPMENHUPO-NSHDSACASA-N 1 2 367.352 3.493 20 5 FGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000181841247 496568020 /nfs/dbraw/zinc/56/80/20/496568020.db2.gz ZFRCWJIBKXARBE-OAHLLOKOSA-N 1 2 366.425 3.347 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578067506 505854340 /nfs/dbraw/zinc/85/43/40/505854340.db2.gz RQWXNXVQUJTZTN-HOCLYGCPSA-N 1 2 355.394 3.075 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578067506 505854343 /nfs/dbraw/zinc/85/43/43/505854343.db2.gz RQWXNXVQUJTZTN-HOCLYGCPSA-N 1 2 355.394 3.075 20 5 FGBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000158004341 496606531 /nfs/dbraw/zinc/60/65/31/496606531.db2.gz RYVSNVOGMBGBGE-OAHLLOKOSA-N 1 2 361.423 3.058 20 5 FGBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000158004341 496606539 /nfs/dbraw/zinc/60/65/39/496606539.db2.gz RYVSNVOGMBGBGE-OAHLLOKOSA-N 1 2 361.423 3.058 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000178887697 496606781 /nfs/dbraw/zinc/60/67/81/496606781.db2.gz CMWJGUQTEALHMA-UHFFFAOYSA-N 1 2 372.347 3.378 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000178887697 496606788 /nfs/dbraw/zinc/60/67/88/496606788.db2.gz CMWJGUQTEALHMA-UHFFFAOYSA-N 1 2 372.347 3.378 20 5 FGBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000184978540 496608253 /nfs/dbraw/zinc/60/82/53/496608253.db2.gz VGBCJLTZARTLCW-SECBINFHSA-N 1 2 354.819 3.302 20 5 FGBDLO Cn1cc(-c2cc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)on2)cn1 ZINC000185028660 496629696 /nfs/dbraw/zinc/62/96/96/496629696.db2.gz IEKBCGOQPDWSNV-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO Cn1cc(-c2cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)on2)cn1 ZINC000185028660 496629704 /nfs/dbraw/zinc/62/97/04/496629704.db2.gz IEKBCGOQPDWSNV-UHFFFAOYSA-N 1 2 361.789 3.269 20 5 FGBDLO COc1cccc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000185127889 496673134 /nfs/dbraw/zinc/67/31/34/496673134.db2.gz PEJZFQQTJBLTAW-UHFFFAOYSA-N 1 2 371.441 3.152 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000188132226 496695961 /nfs/dbraw/zinc/69/59/61/496695961.db2.gz PJHKMVFTLGOKEZ-UHFFFAOYSA-N 1 2 368.437 3.466 20 5 FGBDLO C[C@H](c1ccco1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182202569 496705482 /nfs/dbraw/zinc/70/54/82/496705482.db2.gz ZMRQZHIACCSIMQ-CYBMUJFWSA-N 1 2 364.423 3.187 20 5 FGBDLO C[C@H](c1ccco1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182202569 496705483 /nfs/dbraw/zinc/70/54/83/496705483.db2.gz ZMRQZHIACCSIMQ-CYBMUJFWSA-N 1 2 364.423 3.187 20 5 FGBDLO C[C@@H]1C[N@H+](CCSc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000188322811 496752241 /nfs/dbraw/zinc/75/22/41/496752241.db2.gz UYIOPJJTRICCSC-SNVBAGLBSA-N 1 2 361.261 3.170 20 5 FGBDLO C[C@@H]1C[N@@H+](CCSc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000188322811 496752246 /nfs/dbraw/zinc/75/22/46/496752246.db2.gz UYIOPJJTRICCSC-SNVBAGLBSA-N 1 2 361.261 3.170 20 5 FGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](CO)O1 ZINC000191525997 496797726 /nfs/dbraw/zinc/79/77/26/496797726.db2.gz BMZXDUROIPSGTK-SMDDNHRTSA-N 1 2 366.801 3.090 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](CO)O1 ZINC000191525997 496797732 /nfs/dbraw/zinc/79/77/32/496797732.db2.gz BMZXDUROIPSGTK-SMDDNHRTSA-N 1 2 366.801 3.090 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277668117 496847492 /nfs/dbraw/zinc/84/74/92/496847492.db2.gz FLJKGVGHFLQHID-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277668117 496847496 /nfs/dbraw/zinc/84/74/96/496847496.db2.gz FLJKGVGHFLQHID-TVQRCGJNSA-N 1 2 352.740 3.383 20 5 FGBDLO C[C@H](c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264238627 496848254 /nfs/dbraw/zinc/84/82/54/496848254.db2.gz MVSDENOAMJDIFN-GFCCVEGCSA-N 1 2 361.423 3.302 20 5 FGBDLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273814065 496916950 /nfs/dbraw/zinc/91/69/50/496916950.db2.gz BJEJDYQTFHHYJE-LBPRGKRZSA-N 1 2 360.389 3.141 20 5 FGBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)cc2c1 ZINC000274006377 496989671 /nfs/dbraw/zinc/98/96/71/496989671.db2.gz YSHNICMDSCAVGS-CYBMUJFWSA-N 1 2 372.406 3.395 20 5 FGBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)cc2c1 ZINC000274006377 496989673 /nfs/dbraw/zinc/98/96/73/496989673.db2.gz YSHNICMDSCAVGS-CYBMUJFWSA-N 1 2 372.406 3.395 20 5 FGBDLO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000274123861 497021624 /nfs/dbraw/zinc/02/16/24/497021624.db2.gz XKOFEKKUDOUAJG-GFCCVEGCSA-N 1 2 360.439 3.356 20 5 FGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000270107019 497059343 /nfs/dbraw/zinc/05/93/43/497059343.db2.gz MPJDMIIYDWPCFJ-ZDUSSCGKSA-N 1 2 354.366 3.151 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000192622261 497165915 /nfs/dbraw/zinc/16/59/15/497165915.db2.gz YNXPUFJFGSQVAF-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000192622261 497165918 /nfs/dbraw/zinc/16/59/18/497165918.db2.gz YNXPUFJFGSQVAF-UHFFFAOYSA-N 1 2 373.840 3.345 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663557 497174039 /nfs/dbraw/zinc/17/40/39/497174039.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663557 497174044 /nfs/dbraw/zinc/17/40/44/497174044.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000270663557 497174049 /nfs/dbraw/zinc/17/40/49/497174049.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000270663557 497174056 /nfs/dbraw/zinc/17/40/56/497174056.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270663557 497174062 /nfs/dbraw/zinc/17/40/62/497174062.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000270663557 497174067 /nfs/dbraw/zinc/17/40/67/497174067.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 1 2 368.397 3.056 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Cl)c1 ZINC000189674461 497206667 /nfs/dbraw/zinc/20/66/67/497206667.db2.gz CXCWIWJFCBZVEZ-UHFFFAOYSA-N 1 2 361.833 3.171 20 5 FGBDLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569268813 505893028 /nfs/dbraw/zinc/89/30/28/505893028.db2.gz PCCVEQQQIDXBCV-UHFFFAOYSA-N 1 2 374.462 3.162 20 5 FGBDLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569268813 505893033 /nfs/dbraw/zinc/89/30/33/505893033.db2.gz PCCVEQQQIDXBCV-UHFFFAOYSA-N 1 2 374.462 3.162 20 5 FGBDLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000279044738 497315240 /nfs/dbraw/zinc/31/52/40/497315240.db2.gz YHFXYWAIRSFUCN-UHFFFAOYSA-N 1 2 368.437 3.456 20 5 FGBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000193389096 497367444 /nfs/dbraw/zinc/36/74/44/497367444.db2.gz QBMCDRJVDSDOGS-UHFFFAOYSA-N 1 2 355.354 3.122 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000279255263 497383435 /nfs/dbraw/zinc/38/34/35/497383435.db2.gz UIELHGKVYGMWGQ-KRWDZBQOSA-N 1 2 354.410 3.184 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271720171 497428985 /nfs/dbraw/zinc/42/89/85/497428985.db2.gz KSHGFZCTOAAPHP-AWEZNQCLSA-N 1 2 352.398 3.038 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000279527795 497462804 /nfs/dbraw/zinc/46/28/04/497462804.db2.gz OYIRYELWINKQHT-STQMWFEESA-N 1 2 352.398 3.495 20 5 FGBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000279617667 497487658 /nfs/dbraw/zinc/48/76/58/497487658.db2.gz YAAAZMZSPQHVSQ-STQMWFEESA-N 1 2 352.398 3.495 20 5 FGBDLO Cc1nc(C)c(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272576297 497667560 /nfs/dbraw/zinc/66/75/60/497667560.db2.gz XBBWDMRTWKSWSY-MRXNPFEDSA-N 1 2 357.439 3.281 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000280248586 497695540 /nfs/dbraw/zinc/69/55/40/497695540.db2.gz BIEWEAUOUHJSKM-CYBMUJFWSA-N 1 2 356.300 3.317 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246442061 497736114 /nfs/dbraw/zinc/73/61/14/497736114.db2.gz BKMXCWFBAGKIMH-WQGACYEGSA-N 1 2 367.833 3.076 20 5 FGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246442061 497736118 /nfs/dbraw/zinc/73/61/18/497736118.db2.gz BKMXCWFBAGKIMH-WQGACYEGSA-N 1 2 367.833 3.076 20 5 FGBDLO CCc1nc(C)c(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000291990308 497828588 /nfs/dbraw/zinc/82/85/88/497828588.db2.gz WOMPBBKRWKWYCQ-KRWDZBQOSA-N 1 2 355.398 3.066 20 5 FGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000280890805 497937165 /nfs/dbraw/zinc/93/71/65/497937165.db2.gz GTHLTSAMTZMWAX-UHFFFAOYSA-N 1 2 358.398 3.011 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000280979634 497973201 /nfs/dbraw/zinc/97/32/01/497973201.db2.gz LCZBYIIXVPNXGM-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000280979634 497973205 /nfs/dbraw/zinc/97/32/05/497973205.db2.gz LCZBYIIXVPNXGM-HOCLYGCPSA-N 1 2 369.421 3.083 20 5 FGBDLO Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000301308003 498049839 /nfs/dbraw/zinc/04/98/39/498049839.db2.gz WEPLISZPCJSCNE-UHFFFAOYSA-N 1 2 364.808 3.413 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000364615202 498052285 /nfs/dbraw/zinc/05/22/85/498052285.db2.gz VHYZXNNLVKJTKE-OLZOCXBDSA-N 1 2 360.389 3.036 20 5 FGBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000301428159 498105006 /nfs/dbraw/zinc/10/50/06/498105006.db2.gz DTVKOCXEBNFKEG-HXUWFJFHSA-N 1 2 371.437 3.397 20 5 FGBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289367054 498121477 /nfs/dbraw/zinc/12/14/77/498121477.db2.gz NSRSBHYROOFQIW-LBPRGKRZSA-N 1 2 358.225 3.098 20 5 FGBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289367054 498121485 /nfs/dbraw/zinc/12/14/85/498121485.db2.gz NSRSBHYROOFQIW-LBPRGKRZSA-N 1 2 358.225 3.098 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000281695914 498238806 /nfs/dbraw/zinc/23/88/06/498238806.db2.gz GUENXBVIOFGERJ-KRWDZBQOSA-N 1 2 356.426 3.416 20 5 FGBDLO Cc1ccc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301818544 498277245 /nfs/dbraw/zinc/27/72/45/498277245.db2.gz KOUDGLSAXOJSEZ-UHFFFAOYSA-N 1 2 354.410 3.349 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282102881 498384922 /nfs/dbraw/zinc/38/49/22/498384922.db2.gz ZJEZLDQMVYJKFS-UHFFFAOYSA-N 1 2 359.386 3.128 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2cccnc21 ZINC000365294237 498391298 /nfs/dbraw/zinc/39/12/98/498391298.db2.gz VSQOPPAJKKSPJA-QGZVFWFLSA-N 1 2 355.394 3.366 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2cccnc21 ZINC000365294237 498391302 /nfs/dbraw/zinc/39/13/02/498391302.db2.gz VSQOPPAJKKSPJA-QGZVFWFLSA-N 1 2 355.394 3.366 20 5 FGBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccn2cc[nH+]c2c1 ZINC000578822749 506028313 /nfs/dbraw/zinc/02/83/13/506028313.db2.gz VMECEHVJJCKUON-UHFFFAOYSA-N 1 2 364.365 3.088 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)nc1 ZINC000302146878 498415959 /nfs/dbraw/zinc/41/59/59/498415959.db2.gz IJCIWOPUOYVIDU-CQSZACIVSA-N 1 2 350.382 3.159 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000365392897 498441124 /nfs/dbraw/zinc/44/11/24/498441124.db2.gz UIYXYSFIEGWIOU-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000365392897 498441133 /nfs/dbraw/zinc/44/11/33/498441133.db2.gz UIYXYSFIEGWIOU-UHFFFAOYSA-N 1 2 352.394 3.026 20 5 FGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000302206684 498442846 /nfs/dbraw/zinc/44/28/46/498442846.db2.gz DVVSUQWZBCQBIP-RISCZKNCSA-N 1 2 352.341 3.480 20 5 FGBDLO CC(C)c1n[nH]c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000293785271 498488104 /nfs/dbraw/zinc/48/81/04/498488104.db2.gz APNIFNBOGYXLIB-HNNXBMFYSA-N 1 2 368.397 3.026 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000362618639 498524611 /nfs/dbraw/zinc/52/46/11/498524611.db2.gz ZILAIPRANHGGIW-XVNBXDOJSA-N 1 2 355.394 3.049 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000362618639 498524616 /nfs/dbraw/zinc/52/46/16/498524616.db2.gz ZILAIPRANHGGIW-XVNBXDOJSA-N 1 2 355.394 3.049 20 5 FGBDLO COC(=O)c1cc(NCc2ccccc2-n2cc[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000302707023 498540010 /nfs/dbraw/zinc/54/00/10/498540010.db2.gz YQINLTCRHURLRJ-UHFFFAOYSA-N 1 2 366.377 3.488 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362822220 498558840 /nfs/dbraw/zinc/55/88/40/498558840.db2.gz IYFJFFWROFBXAY-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362822220 498558847 /nfs/dbraw/zinc/55/88/47/498558847.db2.gz IYFJFFWROFBXAY-MRXNPFEDSA-N 1 2 368.397 3.024 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365649478 498577640 /nfs/dbraw/zinc/57/76/40/498577640.db2.gz NSXYZLLJHRCJLL-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365649478 498577649 /nfs/dbraw/zinc/57/76/49/498577649.db2.gz NSXYZLLJHRCJLL-UHFFFAOYSA-N 1 2 372.428 3.424 20 5 FGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000363141401 498671984 /nfs/dbraw/zinc/67/19/84/498671984.db2.gz VKTVQSRHPOHKPP-UHFFFAOYSA-N 1 2 352.350 3.256 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2ncccc2C1 ZINC000366426562 498920889 /nfs/dbraw/zinc/92/08/89/498920889.db2.gz ZRYKLNRMNCPXHB-LBPRGKRZSA-N 1 2 351.366 3.159 20 5 FGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ncccc2C1 ZINC000366426562 498920897 /nfs/dbraw/zinc/92/08/97/498920897.db2.gz ZRYKLNRMNCPXHB-LBPRGKRZSA-N 1 2 351.366 3.159 20 5 FGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000291409728 498929989 /nfs/dbraw/zinc/92/99/89/498929989.db2.gz FFNZQIWGWMWLBZ-HNNXBMFYSA-N 1 2 372.425 3.200 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000370136115 499186160 /nfs/dbraw/zinc/18/61/60/499186160.db2.gz MSHRMPDYGXPJKL-AWEZNQCLSA-N 1 2 371.441 3.039 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000372248412 499413263 /nfs/dbraw/zinc/41/32/63/499413263.db2.gz HIVDJSQFVVVANF-LLVKDONJSA-N 1 2 363.805 3.452 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000372453064 499436613 /nfs/dbraw/zinc/43/66/13/499436613.db2.gz GIYNQQDNQPIOTF-GFCCVEGCSA-N 1 2 354.410 3.136 20 5 FGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000372453064 499436614 /nfs/dbraw/zinc/43/66/14/499436614.db2.gz GIYNQQDNQPIOTF-GFCCVEGCSA-N 1 2 354.410 3.136 20 5 FGBDLO CCOc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372980782 499445692 /nfs/dbraw/zinc/44/56/92/499445692.db2.gz OFJTYFKEJCLWTB-IBGZPJMESA-N 1 2 358.394 3.273 20 5 FGBDLO CCOc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372980782 499445693 /nfs/dbraw/zinc/44/56/93/499445693.db2.gz OFJTYFKEJCLWTB-IBGZPJMESA-N 1 2 358.394 3.273 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000378255803 499495044 /nfs/dbraw/zinc/49/50/44/499495044.db2.gz XRQAMVHGEDESFL-ZFWWWQNUSA-N 1 2 357.414 3.038 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CC(Cc4cccc(F)c4)C3)o2)cc1 ZINC000378321513 499501433 /nfs/dbraw/zinc/50/14/33/499501433.db2.gz ALMSVEPVDBHYJX-UHFFFAOYSA-N 1 2 368.368 3.458 20 5 FGBDLO CCc1noc(C)c1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573220301 506147476 /nfs/dbraw/zinc/14/74/76/506147476.db2.gz LSWJPMJYCCXDTJ-UHFFFAOYSA-N 1 2 353.382 3.253 20 5 FGBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000375419634 499516424 /nfs/dbraw/zinc/51/64/24/499516424.db2.gz JXJYIVYURGMLQQ-IUODEOHRSA-N 1 2 351.366 3.280 20 5 FGBDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000375558860 499532223 /nfs/dbraw/zinc/53/22/23/499532223.db2.gz BAFGXRMYMVYPSB-UHFFFAOYSA-N 1 2 357.414 3.445 20 5 FGBDLO C[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000397974206 499565450 /nfs/dbraw/zinc/56/54/50/499565450.db2.gz JZMQRPVSGRYIEB-FQEVSTJZSA-N 1 2 369.421 3.085 20 5 FGBDLO C[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397974206 499565452 /nfs/dbraw/zinc/56/54/52/499565452.db2.gz JZMQRPVSGRYIEB-FQEVSTJZSA-N 1 2 369.421 3.085 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000376450475 499609575 /nfs/dbraw/zinc/60/95/75/499609575.db2.gz QDOZXWFZPHGANK-NSHDSACASA-N 1 2 356.411 3.075 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411204397 499710669 /nfs/dbraw/zinc/71/06/69/499710669.db2.gz VWQBQEKCEFUEQW-DLBZAZTESA-N 1 2 364.405 3.173 20 5 FGBDLO CCc1nc(C[N@@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000378160237 499761502 /nfs/dbraw/zinc/76/15/02/499761502.db2.gz ILKTWUZJARSHHJ-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO CCc1nc(C[N@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000378160237 499761503 /nfs/dbraw/zinc/76/15/03/499761503.db2.gz ILKTWUZJARSHHJ-UHFFFAOYSA-N 1 2 361.471 3.029 20 5 FGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414471992 499796603 /nfs/dbraw/zinc/79/66/03/499796603.db2.gz QVZXVWHFGWPNIM-AWEZNQCLSA-N 1 2 350.346 3.034 20 5 FGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414471992 499796604 /nfs/dbraw/zinc/79/66/04/499796604.db2.gz QVZXVWHFGWPNIM-AWEZNQCLSA-N 1 2 350.346 3.034 20 5 FGBDLO COc1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000411993915 499811049 /nfs/dbraw/zinc/81/10/49/499811049.db2.gz YFTKUFMBSKQBMP-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO COc1cc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000411993915 499811051 /nfs/dbraw/zinc/81/10/51/499811051.db2.gz YFTKUFMBSKQBMP-FQEVSTJZSA-N 1 2 368.389 3.213 20 5 FGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)cn21 ZINC000412103356 499823657 /nfs/dbraw/zinc/82/36/57/499823657.db2.gz ZLPXVQIFRDNPGW-UHFFFAOYSA-N 1 2 368.393 3.268 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)CCC2 ZINC000412201570 499833351 /nfs/dbraw/zinc/83/33/51/499833351.db2.gz CNHKAAZYYKSGMT-OAHLLOKOSA-N 1 2 372.425 3.194 20 5 FGBDLO COc1ccccc1N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413024422 499904759 /nfs/dbraw/zinc/90/47/59/499904759.db2.gz MPJBLCQZDOQBBV-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO O=C(N1CCCC1)N1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413281093 499936423 /nfs/dbraw/zinc/93/64/23/499936423.db2.gz MEIFXBVFXUXTKX-HNNXBMFYSA-N 1 2 369.425 3.235 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429164091 500016998 /nfs/dbraw/zinc/01/69/98/500016998.db2.gz PNBLJGHUIGGLAY-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429164091 500017000 /nfs/dbraw/zinc/01/70/00/500017000.db2.gz PNBLJGHUIGGLAY-CQSZACIVSA-N 1 2 355.394 3.125 20 5 FGBDLO Cc1ccc(C)c(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000429282866 500042430 /nfs/dbraw/zinc/04/24/30/500042430.db2.gz DLAKDWRCYVSRLD-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO Cc1ccc(C)c(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000429282866 500042433 /nfs/dbraw/zinc/04/24/33/500042433.db2.gz DLAKDWRCYVSRLD-UHFFFAOYSA-N 1 2 362.451 3.117 20 5 FGBDLO CC(C)(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000429841670 500154473 /nfs/dbraw/zinc/15/44/73/500154473.db2.gz PHSKAUUEMUYGBK-UHFFFAOYSA-N 1 2 368.437 3.184 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000430203967 500208390 /nfs/dbraw/zinc/20/83/90/500208390.db2.gz QAVIBKNZLZGMSO-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000430203967 500208392 /nfs/dbraw/zinc/20/83/92/500208392.db2.gz QAVIBKNZLZGMSO-UHFFFAOYSA-N 1 2 350.415 3.301 20 5 FGBDLO O=C(C[NH+]1CCC(OC2CCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000419300528 500350903 /nfs/dbraw/zinc/35/09/03/500350903.db2.gz JGFTYJBTQWKBLZ-UHFFFAOYSA-N 1 2 367.833 3.220 20 5 FGBDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929245 500533633 /nfs/dbraw/zinc/53/36/33/500533633.db2.gz QDWMBLJCNRUMPJ-STQMWFEESA-N 1 2 374.441 3.413 20 5 FGBDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420929245 500533636 /nfs/dbraw/zinc/53/36/36/500533636.db2.gz QDWMBLJCNRUMPJ-STQMWFEESA-N 1 2 374.441 3.413 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428698982 500545864 /nfs/dbraw/zinc/54/58/64/500545864.db2.gz ILXZKGKDYGVNSK-UHFFFAOYSA-N 1 2 372.874 3.039 20 5 FGBDLO CC1(C)C[C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433156371 500635825 /nfs/dbraw/zinc/63/58/25/500635825.db2.gz BBAWBSVJCAREFC-KRWDZBQOSA-N 1 2 364.409 3.083 20 5 FGBDLO CC(C)CSCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811449 500667324 /nfs/dbraw/zinc/66/73/24/500667324.db2.gz FOYHLCWURMPYOB-UHFFFAOYSA-N 1 2 353.488 3.228 20 5 FGBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443153675 500688596 /nfs/dbraw/zinc/68/85/96/500688596.db2.gz DPNWUANLZZAXOR-UHFFFAOYSA-N 1 2 374.828 3.428 20 5 FGBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443153675 500688601 /nfs/dbraw/zinc/68/86/01/500688601.db2.gz DPNWUANLZZAXOR-UHFFFAOYSA-N 1 2 374.828 3.428 20 5 FGBDLO CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000433987990 500776627 /nfs/dbraw/zinc/77/66/27/500776627.db2.gz LUBDYULOKJPKBM-UHFFFAOYSA-N 1 2 372.331 3.331 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444011223 500792248 /nfs/dbraw/zinc/79/22/48/500792248.db2.gz RTHRWKTZNHFTGR-UHFFFAOYSA-N 1 2 365.339 3.337 20 5 FGBDLO Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc[nH+]1 ZINC000444012745 500792270 /nfs/dbraw/zinc/79/22/70/500792270.db2.gz LPQGCWFEKUYAJL-UHFFFAOYSA-N 1 2 365.339 3.337 20 5 FGBDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000439243620 500873924 /nfs/dbraw/zinc/87/39/24/500873924.db2.gz DMCVCNULRLYUST-UHFFFAOYSA-N 1 2 357.410 3.269 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444740551 500890673 /nfs/dbraw/zinc/89/06/73/500890673.db2.gz BYEPLNGNNKKUQV-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000444740551 500890675 /nfs/dbraw/zinc/89/06/75/500890675.db2.gz BYEPLNGNNKKUQV-UHFFFAOYSA-N 1 2 361.373 3.121 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000439935032 500957248 /nfs/dbraw/zinc/95/72/48/500957248.db2.gz SWDIBTAXRMXGOY-HNNXBMFYSA-N 1 2 372.381 3.074 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000441094545 501087160 /nfs/dbraw/zinc/08/71/60/501087160.db2.gz SVGZJBPMKIWFOJ-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000441094545 501087162 /nfs/dbraw/zinc/08/71/62/501087162.db2.gz SVGZJBPMKIWFOJ-CQSZACIVSA-N 1 2 369.421 3.379 20 5 FGBDLO CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449887905 501117642 /nfs/dbraw/zinc/11/76/42/501117642.db2.gz NRGYVWMEFHTKNN-UONOGXRCSA-N 1 2 360.439 3.185 20 5 FGBDLO CCCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450002892 501151715 /nfs/dbraw/zinc/15/17/15/501151715.db2.gz FAZCPDABWBJVRC-UHFFFAOYSA-N 1 2 372.425 3.202 20 5 FGBDLO CCc1cc(NCC2(CF)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450732524 501196081 /nfs/dbraw/zinc/19/60/81/501196081.db2.gz IILWDEWLADZYBF-UHFFFAOYSA-N 1 2 374.416 3.214 20 5 FGBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[C@H](C)C1 ZINC000451153801 501248557 /nfs/dbraw/zinc/24/85/57/501248557.db2.gz JAGWWASPWVAKCW-HOCLYGCPSA-N 1 2 372.425 3.058 20 5 FGBDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550796 501320923 /nfs/dbraw/zinc/32/09/23/501320923.db2.gz RYRJPIKTSVTKRB-JSGCOSHPSA-N 1 2 360.439 3.258 20 5 FGBDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550796 501320926 /nfs/dbraw/zinc/32/09/26/501320926.db2.gz RYRJPIKTSVTKRB-JSGCOSHPSA-N 1 2 360.439 3.258 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453404362 501325022 /nfs/dbraw/zinc/32/50/22/501325022.db2.gz RMRWXTJVFMZFAC-SFHVURJKSA-N 1 2 358.442 3.214 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568587 501326671 /nfs/dbraw/zinc/32/66/71/501326671.db2.gz MVUGXZNOTBLPJT-GFCCVEGCSA-N 1 2 365.231 3.080 20 5 FGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568587 501326672 /nfs/dbraw/zinc/32/66/72/501326672.db2.gz MVUGXZNOTBLPJT-GFCCVEGCSA-N 1 2 365.231 3.080 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451568128 501326880 /nfs/dbraw/zinc/32/68/80/501326880.db2.gz NOOICCLOYUUXPR-KRWDZBQOSA-N 1 2 374.462 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000451568128 501326883 /nfs/dbraw/zinc/32/68/83/501326883.db2.gz NOOICCLOYUUXPR-KRWDZBQOSA-N 1 2 374.462 3.248 20 5 FGBDLO Cc1nc2ccc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2s1 ZINC000453573015 501350958 /nfs/dbraw/zinc/35/09/58/501350958.db2.gz GEFWRPFYHWVDOD-UHFFFAOYSA-N 1 2 369.450 3.230 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000451832022 501381927 /nfs/dbraw/zinc/38/19/27/501381927.db2.gz GCXZBUINOHLXCT-KRWDZBQOSA-N 1 2 352.394 3.185 20 5 FGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602680947 506260469 /nfs/dbraw/zinc/26/04/69/506260469.db2.gz IIIGPTQBYNGNLS-MRVPVSSYSA-N 1 2 359.249 3.486 20 5 FGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459097231 501593817 /nfs/dbraw/zinc/59/38/17/501593817.db2.gz DTWXSDZHFHJBMI-BBRMVZONSA-N 1 2 357.414 3.417 20 5 FGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000459508729 501666210 /nfs/dbraw/zinc/66/62/10/501666210.db2.gz MKNUVYNIKFDJMJ-UHFFFAOYSA-N 1 2 364.808 3.147 20 5 FGBDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454991769 501667751 /nfs/dbraw/zinc/66/77/51/501667751.db2.gz PNYYNAPGSGAQQL-HNNXBMFYSA-N 1 2 370.409 3.088 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000459735208 501706183 /nfs/dbraw/zinc/70/61/83/501706183.db2.gz AAGJRXTWHAXLAC-LBPRGKRZSA-N 1 2 356.382 3.448 20 5 FGBDLO CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000470697974 501772365 /nfs/dbraw/zinc/77/23/65/501772365.db2.gz VJBGSHONKSSMGN-INIZCTEOSA-N 1 2 360.417 3.145 20 5 FGBDLO CC[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1[nH]cc[nH+]1 ZINC000477752166 501777092 /nfs/dbraw/zinc/77/70/92/501777092.db2.gz SHBLWEURGVLVNM-AWEZNQCLSA-N 1 2 353.382 3.277 20 5 FGBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000481495771 501791431 /nfs/dbraw/zinc/79/14/31/501791431.db2.gz IRTDKCNLDHKYRS-UHFFFAOYSA-N 1 2 351.366 3.375 20 5 FGBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c[nH+]1 ZINC000485405964 501811731 /nfs/dbraw/zinc/81/17/31/501811731.db2.gz MPERDYQCSDZHKH-UHFFFAOYSA-N 1 2 367.384 3.291 20 5 FGBDLO COc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000475017071 502022953 /nfs/dbraw/zinc/02/29/53/502022953.db2.gz NVFZQDSZPPBQCG-UHFFFAOYSA-N 1 2 356.313 3.181 20 5 FGBDLO CCOC(=O)C1([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000464684043 502063373 /nfs/dbraw/zinc/06/33/73/502063373.db2.gz PVYAMRLNAJXLKA-UHFFFAOYSA-N 1 2 368.405 3.440 20 5 FGBDLO CCOC(=O)C1([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000464684043 502063376 /nfs/dbraw/zinc/06/33/76/502063376.db2.gz PVYAMRLNAJXLKA-UHFFFAOYSA-N 1 2 368.405 3.440 20 5 FGBDLO CCCN1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000471802142 502140450 /nfs/dbraw/zinc/14/04/50/502140450.db2.gz ADECKLZRMRRWAV-UHFFFAOYSA-N 1 2 357.410 3.299 20 5 FGBDLO CCCN1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000471802142 502140454 /nfs/dbraw/zinc/14/04/54/502140454.db2.gz ADECKLZRMRRWAV-UHFFFAOYSA-N 1 2 357.410 3.299 20 5 FGBDLO O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479370931 502238957 /nfs/dbraw/zinc/23/89/57/502238957.db2.gz LOTQITUAXNFTKD-UHFFFAOYSA-N 1 2 370.340 3.069 20 5 FGBDLO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)cn1 ZINC000479387688 502242769 /nfs/dbraw/zinc/24/27/69/502242769.db2.gz FIDFXZMONNWAKJ-GOSISDBHSA-N 1 2 358.348 3.486 20 5 FGBDLO CO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000483030120 502251209 /nfs/dbraw/zinc/25/12/09/502251209.db2.gz VAKWVWADPTVHOZ-VQIMIIECSA-N 1 2 369.421 3.304 20 5 FGBDLO CO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000483030120 502251212 /nfs/dbraw/zinc/25/12/12/502251212.db2.gz VAKWVWADPTVHOZ-VQIMIIECSA-N 1 2 369.421 3.304 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000486966390 502318038 /nfs/dbraw/zinc/31/80/38/502318038.db2.gz LGTMJDVWWCJPMN-UHFFFAOYSA-N 1 2 368.397 3.064 20 5 FGBDLO O=C(NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])NC1CCCCC1 ZINC000599066329 506306384 /nfs/dbraw/zinc/30/63/84/506306384.db2.gz VJADHHHYGBLQTR-UHFFFAOYSA-N 1 2 357.414 3.187 20 5 FGBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000599067079 506306507 /nfs/dbraw/zinc/30/65/07/506306507.db2.gz XQVYOLBWZIOZNE-CQSZACIVSA-N 1 2 357.410 3.165 20 5 FGBDLO O=[N+]([O-])c1c(NCCCc2nnc3n2CCCC3)ccc2c[nH+]ccc21 ZINC000599065733 506306880 /nfs/dbraw/zinc/30/68/80/506306880.db2.gz QPYWFXZGIWNQNN-UHFFFAOYSA-N 1 2 352.398 3.116 20 5 FGBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480710017 502649917 /nfs/dbraw/zinc/64/99/17/502649917.db2.gz KJAJBDSTVPJPJC-INIZCTEOSA-N 1 2 373.457 3.378 20 5 FGBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000480788063 502671801 /nfs/dbraw/zinc/67/18/01/502671801.db2.gz RFFGLRRNGKVWFZ-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000480788063 502671805 /nfs/dbraw/zinc/67/18/05/502671805.db2.gz RFFGLRRNGKVWFZ-HNNXBMFYSA-N 1 2 359.430 3.086 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000466926984 502728535 /nfs/dbraw/zinc/72/85/35/502728535.db2.gz WMHDRVBEYIGLRI-MRXNPFEDSA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000466926984 502728544 /nfs/dbraw/zinc/72/85/44/502728544.db2.gz WMHDRVBEYIGLRI-MRXNPFEDSA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488741868 502799647 /nfs/dbraw/zinc/79/96/47/502799647.db2.gz CQAUSFRITJGQGS-DOTOQJQBSA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488741868 502799651 /nfs/dbraw/zinc/79/96/51/502799651.db2.gz CQAUSFRITJGQGS-DOTOQJQBSA-N 1 2 360.458 3.042 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000501026127 502914910 /nfs/dbraw/zinc/91/49/10/502914910.db2.gz ALXNRAABCSAKKE-CQSZACIVSA-N 1 2 356.426 3.071 20 5 FGBDLO CCOc1cc(C[N@H+](CCOC)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000489497993 502972939 /nfs/dbraw/zinc/97/29/39/502972939.db2.gz NZPYXJFIZVPLMS-UHFFFAOYSA-N 1 2 365.455 3.407 20 5 FGBDLO CCOc1cc(C[N@@H+](CCOC)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000489497993 502972940 /nfs/dbraw/zinc/97/29/40/502972940.db2.gz NZPYXJFIZVPLMS-UHFFFAOYSA-N 1 2 365.455 3.407 20 5 FGBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2[nH+]ccn2c1 ZINC000501284268 502975277 /nfs/dbraw/zinc/97/52/77/502975277.db2.gz MYIOGDDATKQDAM-UHFFFAOYSA-N 1 2 361.155 3.257 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513664939 502995236 /nfs/dbraw/zinc/99/52/36/502995236.db2.gz AEGCEGBPLZQZJB-SFHVURJKSA-N 1 2 370.384 3.225 20 5 FGBDLO COc1ccc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F ZINC000506005007 503028235 /nfs/dbraw/zinc/02/82/35/503028235.db2.gz MVSHMQJISXOMKT-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F ZINC000506005007 503028236 /nfs/dbraw/zinc/02/82/36/503028236.db2.gz MVSHMQJISXOMKT-UHFFFAOYSA-N 1 2 373.428 3.369 20 5 FGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498123592 503112170 /nfs/dbraw/zinc/11/21/70/503112170.db2.gz SXMXTCWSDOAXBQ-UHFFFAOYSA-N 1 2 373.372 3.259 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000490825775 503232606 /nfs/dbraw/zinc/23/26/06/503232606.db2.gz WEPSVVVMFDNOPM-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO CCc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000490825775 503232611 /nfs/dbraw/zinc/23/26/11/503232611.db2.gz WEPSVVVMFDNOPM-UHFFFAOYSA-N 1 2 373.478 3.500 20 5 FGBDLO CCc1cc(NCCOCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507131934 503236574 /nfs/dbraw/zinc/23/65/74/503236574.db2.gz NEFUNLHWISCGBI-UHFFFAOYSA-N 1 2 370.331 3.027 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000511213137 503280270 /nfs/dbraw/zinc/28/02/70/503280270.db2.gz KEUGJYGERLCRFF-UHFFFAOYSA-N 1 2 350.378 3.078 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491230889 503288575 /nfs/dbraw/zinc/28/85/75/503288575.db2.gz ZEEYUSDXDPINEF-UHFFFAOYSA-N 1 2 356.325 3.472 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491230889 503288577 /nfs/dbraw/zinc/28/85/77/503288577.db2.gz ZEEYUSDXDPINEF-UHFFFAOYSA-N 1 2 356.325 3.472 20 5 FGBDLO Cc1c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000492657133 503378939 /nfs/dbraw/zinc/37/89/39/503378939.db2.gz JJJMIBWJPOJUKF-KRWDZBQOSA-N 1 2 350.378 3.488 20 5 FGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc[nH+]c3N3CCCC3)cc2N1 ZINC000596355624 506369823 /nfs/dbraw/zinc/36/98/23/506369823.db2.gz GWXQUOJPOOESHG-UHFFFAOYSA-N 1 2 367.409 3.087 20 5 FGBDLO O=C(c1cc2ccccc2c2cccnc12)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499715552 503465177 /nfs/dbraw/zinc/46/51/77/503465177.db2.gz WYUDFGHMPGVHQU-UHFFFAOYSA-N 1 2 371.444 3.069 20 5 FGBDLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593073440 506375947 /nfs/dbraw/zinc/37/59/47/506375947.db2.gz UFHBHFSJLJWMDJ-UHFFFAOYSA-N 1 2 359.760 3.308 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000512683662 503611462 /nfs/dbraw/zinc/61/14/62/503611462.db2.gz VRWQNCSEBPRFJX-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000512683662 503611465 /nfs/dbraw/zinc/61/14/65/503611465.db2.gz VRWQNCSEBPRFJX-QGZVFWFLSA-N 1 2 370.405 3.266 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000509006173 503617739 /nfs/dbraw/zinc/61/77/39/503617739.db2.gz IATFCHKGRLUXFZ-AAEUAGOBSA-N 1 2 358.410 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000509006173 503617741 /nfs/dbraw/zinc/61/77/41/503617741.db2.gz IATFCHKGRLUXFZ-AAEUAGOBSA-N 1 2 358.410 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000509006176 503617786 /nfs/dbraw/zinc/61/77/86/503617786.db2.gz IATFCHKGRLUXFZ-YPMHNXCESA-N 1 2 358.410 3.360 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000509006176 503617789 /nfs/dbraw/zinc/61/77/89/503617789.db2.gz IATFCHKGRLUXFZ-YPMHNXCESA-N 1 2 358.410 3.360 20 5 FGBDLO Cc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536660171 503665904 /nfs/dbraw/zinc/66/59/04/503665904.db2.gz DDZQJHZPFSXIIS-NVXWUHKLSA-N 1 2 356.426 3.398 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000536926697 503763459 /nfs/dbraw/zinc/76/34/59/503763459.db2.gz UAKIWKBDWDHYDM-AWEZNQCLSA-N 1 2 357.414 3.019 20 5 FGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000536926697 503763464 /nfs/dbraw/zinc/76/34/64/503763464.db2.gz UAKIWKBDWDHYDM-AWEZNQCLSA-N 1 2 357.414 3.019 20 5 FGBDLO C[N@H+](Cc1ccccc1Cl)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533221976 503765691 /nfs/dbraw/zinc/76/56/91/503765691.db2.gz QVLXRWZKVBMLKM-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccccc1Cl)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533221976 503765696 /nfs/dbraw/zinc/76/56/96/503765696.db2.gz QVLXRWZKVBMLKM-KRWDZBQOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000530374973 503942027 /nfs/dbraw/zinc/94/20/27/503942027.db2.gz RGUQYSUSTABUTA-GHMZBOCLSA-N 1 2 363.805 3.395 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534249466 504084102 /nfs/dbraw/zinc/08/41/02/504084102.db2.gz PZMRSYOSUAERKW-UHFFFAOYSA-N 1 2 363.377 3.164 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1F ZINC000534271834 504091483 /nfs/dbraw/zinc/09/14/83/504091483.db2.gz QPJMVSVGMMHEPY-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1ccccc1F ZINC000534271834 504091491 /nfs/dbraw/zinc/09/14/91/504091491.db2.gz QPJMVSVGMMHEPY-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C)nn(C)c1C ZINC000544416765 504124884 /nfs/dbraw/zinc/12/48/84/504124884.db2.gz HSDMGJUYRZELPX-HNNXBMFYSA-N 1 2 370.413 3.236 20 5 FGBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC000535243997 504381259 /nfs/dbraw/zinc/38/12/59/504381259.db2.gz RBHGYNLMFVTKOT-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC000535243997 504381267 /nfs/dbraw/zinc/38/12/67/504381267.db2.gz RBHGYNLMFVTKOT-GOSISDBHSA-N 1 2 371.824 3.412 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247288 504381294 /nfs/dbraw/zinc/38/12/94/504381294.db2.gz LVILOXILYNJABB-LLDVTBCESA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247288 504381300 /nfs/dbraw/zinc/38/13/00/504381300.db2.gz LVILOXILYNJABB-LLDVTBCESA-N 1 2 359.470 3.282 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793222 504546029 /nfs/dbraw/zinc/54/60/29/504546029.db2.gz SBGRZNFOKPYLKZ-NWDGAFQWSA-N 1 2 357.385 3.341 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000535793222 504546033 /nfs/dbraw/zinc/54/60/33/504546033.db2.gz SBGRZNFOKPYLKZ-NWDGAFQWSA-N 1 2 357.385 3.341 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000532171166 504559471 /nfs/dbraw/zinc/55/94/71/504559471.db2.gz CTELKDZWXUZNED-UHFFFAOYSA-N 1 2 371.437 3.410 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545853082 504616600 /nfs/dbraw/zinc/61/66/00/504616600.db2.gz AOQMSVAVBZGNJD-UHFFFAOYSA-N 1 2 362.405 3.180 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000548934918 504626473 /nfs/dbraw/zinc/62/64/73/504626473.db2.gz WPVBBNQVMYJVIB-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000548934918 504626478 /nfs/dbraw/zinc/62/64/78/504626478.db2.gz WPVBBNQVMYJVIB-AWEZNQCLSA-N 1 2 369.421 3.299 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)ccc2n1C1CC1 ZINC000549032639 504661562 /nfs/dbraw/zinc/66/15/62/504661562.db2.gz KELXXPQDXCRNKR-UHFFFAOYSA-N 1 2 354.366 3.365 20 5 FGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543097089 504723699 /nfs/dbraw/zinc/72/36/99/504723699.db2.gz MPOVNDLJHXNHGM-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559569791 504887899 /nfs/dbraw/zinc/88/78/99/504887899.db2.gz GLYBFLZEEVXWBD-UHFFFAOYSA-N 1 2 350.172 3.043 20 5 FGBDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549930811 504937825 /nfs/dbraw/zinc/93/78/25/504937825.db2.gz BQESTRPWURADRK-KRWDZBQOSA-N 1 2 358.394 3.473 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553890773 505035410 /nfs/dbraw/zinc/03/54/10/505035410.db2.gz ZEEMCCBZWQXYCG-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553890773 505035413 /nfs/dbraw/zinc/03/54/13/505035413.db2.gz ZEEMCCBZWQXYCG-OAHLLOKOSA-N 1 2 360.801 3.419 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000565967993 505040994 /nfs/dbraw/zinc/04/09/94/505040994.db2.gz BKKFGEFBDAQKSQ-LRDDRELGSA-N 1 2 357.414 3.148 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000560466445 505095019 /nfs/dbraw/zinc/09/50/19/505095019.db2.gz MCPJGHJSJNLILF-CQSZACIVSA-N 1 2 368.302 3.398 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000560526835 505115402 /nfs/dbraw/zinc/11/54/02/505115402.db2.gz HBLMMHFABKGCBH-QGZVFWFLSA-N 1 2 358.348 3.486 20 5 FGBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(Br)cn1 ZINC000566476108 505185109 /nfs/dbraw/zinc/18/51/09/505185109.db2.gz UFPSRZIYGFSRHY-RNCFNFMXSA-N 1 2 363.215 3.485 20 5 FGBDLO CCc1cnc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552046620 505381020 /nfs/dbraw/zinc/38/10/20/505381020.db2.gz MOIDWRJHIMAHNP-INIZCTEOSA-N 1 2 357.439 3.226 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567265241 505413058 /nfs/dbraw/zinc/41/30/58/505413058.db2.gz FUMBUVWEYOQNKO-TZMCWYRMSA-N 1 2 374.828 3.460 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567265241 505413064 /nfs/dbraw/zinc/41/30/64/505413064.db2.gz FUMBUVWEYOQNKO-TZMCWYRMSA-N 1 2 374.828 3.460 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552225410 505433449 /nfs/dbraw/zinc/43/34/49/505433449.db2.gz GUUBFPWHFFWQRM-SFHVURJKSA-N 1 2 352.394 3.086 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2)cc1 ZINC000561866287 505454298 /nfs/dbraw/zinc/45/42/98/505454298.db2.gz SELODQSGKQHZCH-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccnc3)n2)cc1 ZINC000561866287 505454302 /nfs/dbraw/zinc/45/43/02/505454302.db2.gz SELODQSGKQHZCH-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO CCc1cc(SC[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564903398 505554470 /nfs/dbraw/zinc/55/44/70/505554470.db2.gz PGHLXVRKNNBMRA-MRXNPFEDSA-N 1 2 374.466 3.037 20 5 FGBDLO CCc1cc(SC[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564903398 505554472 /nfs/dbraw/zinc/55/44/72/505554472.db2.gz PGHLXVRKNNBMRA-MRXNPFEDSA-N 1 2 374.466 3.037 20 5 FGBDLO CSCC1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000596419362 506397196 /nfs/dbraw/zinc/39/71/96/506397196.db2.gz NRUDUVHGIHHQIU-UHFFFAOYSA-N 1 2 365.499 3.372 20 5 FGBDLO CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593226243 506479343 /nfs/dbraw/zinc/47/93/43/506479343.db2.gz CFCJZIPGFYJWNE-CZUORRHYSA-N 1 2 360.439 3.185 20 5 FGBDLO CN(C)c1cc[nH+]c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000612345985 506537613 /nfs/dbraw/zinc/53/76/13/506537613.db2.gz AILCUZSMAYQLLF-UHFFFAOYSA-N 1 2 369.406 3.432 20 5 FGBDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603903885 506653176 /nfs/dbraw/zinc/65/31/76/506653176.db2.gz DOVWSNCPOUQYLP-HNNXBMFYSA-N 1 2 373.413 3.096 20 5 FGBDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603903885 506653184 /nfs/dbraw/zinc/65/31/84/506653184.db2.gz DOVWSNCPOUQYLP-HNNXBMFYSA-N 1 2 373.413 3.096 20 5 FGBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604085389 506709516 /nfs/dbraw/zinc/70/95/16/506709516.db2.gz CUQRRIJKRFWVMC-GFCCVEGCSA-N 1 2 362.817 3.095 20 5 FGBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144533 506791794 /nfs/dbraw/zinc/79/17/94/506791794.db2.gz DEZCSHLXMAIDAH-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144533 506791795 /nfs/dbraw/zinc/79/17/95/506791795.db2.gz DEZCSHLXMAIDAH-UHFFFAOYSA-N 1 2 357.385 3.258 20 5 FGBDLO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1c1ccncc1 ZINC000590369969 506805712 /nfs/dbraw/zinc/80/57/12/506805712.db2.gz BMLNWHOCIQDYFP-SFHVURJKSA-N 1 2 355.394 3.344 20 5 FGBDLO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1c1ccncc1 ZINC000590369969 506805719 /nfs/dbraw/zinc/80/57/19/506805719.db2.gz BMLNWHOCIQDYFP-SFHVURJKSA-N 1 2 355.394 3.344 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000593897349 506824985 /nfs/dbraw/zinc/82/49/85/506824985.db2.gz XPSYLHKYWYGJFC-HDJSIYSDSA-N 1 2 370.409 3.152 20 5 FGBDLO O=C(NCc1cnc2ccccc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604483564 506845744 /nfs/dbraw/zinc/84/57/44/506845744.db2.gz FMDCUJFOEIRXFG-UHFFFAOYSA-N 1 2 373.372 3.259 20 5 FGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442271 506881326 /nfs/dbraw/zinc/88/13/26/506881326.db2.gz QXBUPWZIFAXBKT-UHFFFAOYSA-N 1 2 358.373 3.049 20 5 FGBDLO CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590626782 506887380 /nfs/dbraw/zinc/88/73/80/506887380.db2.gz AJQOKGZUACAYQE-UHFFFAOYSA-N 1 2 356.304 3.195 20 5 FGBDLO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000609664137 506966940 /nfs/dbraw/zinc/96/69/40/506966940.db2.gz LNUBGXLBKXMUNO-INIZCTEOSA-N 1 2 363.364 3.214 20 5 FGBDLO O=C(NCCn1cc[nH+]c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609773238 506997105 /nfs/dbraw/zinc/99/71/05/506997105.db2.gz RIYQHJCCTBNUNH-UHFFFAOYSA-N 1 2 367.365 3.405 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)s1 ZINC000609995266 507065860 /nfs/dbraw/zinc/06/58/60/507065860.db2.gz TUYDMAIWZKNRON-UHFFFAOYSA-N 1 2 373.478 3.485 20 5 FGBDLO CCc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610117924 507106069 /nfs/dbraw/zinc/10/60/69/507106069.db2.gz FKGOOXTZGGGQBK-UHFFFAOYSA-N 1 2 350.378 3.273 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000610200125 507136078 /nfs/dbraw/zinc/13/60/78/507136078.db2.gz RGLJMFQLFIAHSZ-CYBMUJFWSA-N 1 2 362.455 3.244 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000613548333 507148580 /nfs/dbraw/zinc/14/85/80/507148580.db2.gz YBZJKWVNFINSKJ-OAHLLOKOSA-N 1 2 374.393 3.443 20 5 FGBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000613548333 507148589 /nfs/dbraw/zinc/14/85/89/507148589.db2.gz YBZJKWVNFINSKJ-OAHLLOKOSA-N 1 2 374.393 3.443 20 5 FGBDLO Cc1cccn2cc(CCNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH+]c12 ZINC000610445855 507241890 /nfs/dbraw/zinc/24/18/90/507241890.db2.gz AXGSTTKDEHHOPS-UHFFFAOYSA-N 1 2 363.377 3.005 20 5 FGBDLO Cc1cc(N2CCO[C@@H](C(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601232939 507305343 /nfs/dbraw/zinc/30/53/43/507305343.db2.gz VTVGLOIWOXWFNN-CQSZACIVSA-N 1 2 364.352 3.221 20 5 FGBDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613979501 507323865 /nfs/dbraw/zinc/32/38/65/507323865.db2.gz FSUIUAPSFBXEPQ-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613979501 507323871 /nfs/dbraw/zinc/32/38/71/507323871.db2.gz FSUIUAPSFBXEPQ-OAHLLOKOSA-N 1 2 369.421 3.037 20 5 FGBDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000591911323 507405299 /nfs/dbraw/zinc/40/52/99/507405299.db2.gz JTKUXAMCFHBAGG-CQSZACIVSA-N 1 2 367.409 3.154 20 5 FGBDLO Cc1noc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000595472250 507515569 /nfs/dbraw/zinc/51/55/69/507515569.db2.gz JRPHAUKAJSYWMW-NSHDSACASA-N 1 2 368.187 3.267 20 5 FGBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611203892 507561089 /nfs/dbraw/zinc/56/10/89/507561089.db2.gz PFJUHHAFHKWVQR-UHFFFAOYSA-N 1 2 360.439 3.293 20 5 FGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611205937 507561739 /nfs/dbraw/zinc/56/17/39/507561739.db2.gz XXEICYSSWUEMNY-UHFFFAOYSA-N 1 2 372.406 3.233 20 5 FGBDLO Cc1cn2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2[nH+]1 ZINC000602127046 507601393 /nfs/dbraw/zinc/60/13/93/507601393.db2.gz ZRCINNBCHBMJSJ-UHFFFAOYSA-N 1 2 350.378 3.356 20 5 FGBDLO COc1ccc(F)cc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000614656484 507605306 /nfs/dbraw/zinc/60/53/06/507605306.db2.gz KIEHYPKGMHNRFB-GOSISDBHSA-N 1 2 370.384 3.355 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595656555 507617595 /nfs/dbraw/zinc/61/75/95/507617595.db2.gz BTQFUPVKSPXJHF-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595656555 507617601 /nfs/dbraw/zinc/61/76/01/507617601.db2.gz BTQFUPVKSPXJHF-AWEZNQCLSA-N 1 2 369.421 3.297 20 5 FGBDLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602556441 507747562 /nfs/dbraw/zinc/74/75/62/507747562.db2.gz GOFOQIWGZHSAGJ-CQSZACIVSA-N 1 2 355.350 3.358 20 5 FGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000619694399 714862767 /nfs/dbraw/zinc/86/27/67/714862767.db2.gz BTPQVGCSQJSBEX-UHFFFAOYSA-N 1 2 372.372 3.392 20 5 FGBDLO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000741248309 722543782 /nfs/dbraw/zinc/54/37/82/722543782.db2.gz XHTVVNCNYGTMAA-CYBMUJFWSA-N 1 2 364.833 3.366 20 5 FGBDLO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000741248309 722543783 /nfs/dbraw/zinc/54/37/83/722543783.db2.gz XHTVVNCNYGTMAA-CYBMUJFWSA-N 1 2 364.833 3.366 20 5 FGBDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1C ZINC000747679844 722656259 /nfs/dbraw/zinc/65/62/59/722656259.db2.gz UZZAJZKAYXVRBV-UHFFFAOYSA-N 1 2 361.423 3.267 20 5 FGBDLO C[C@H]1CC[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891171 723378145 /nfs/dbraw/zinc/37/81/45/723378145.db2.gz DWDFCIWTUAMWPJ-WDEREUQCSA-N 1 2 355.232 3.283 20 5 FGBDLO C[C@H]1CC[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000792891171 723378141 /nfs/dbraw/zinc/37/81/41/723378141.db2.gz DWDFCIWTUAMWPJ-WDEREUQCSA-N 1 2 355.232 3.283 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCOC[C@H](C4CCC4)C3)c2c(Cl)c1 ZINC000793743940 723463696 /nfs/dbraw/zinc/46/36/96/723463696.db2.gz ORWBILMGOWPYQC-CQSZACIVSA-N 1 2 364.833 3.304 20 5 FGBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCOC[C@H](C4CCC4)C3)c2c(Cl)c1 ZINC000793743940 723463699 /nfs/dbraw/zinc/46/36/99/723463699.db2.gz ORWBILMGOWPYQC-CQSZACIVSA-N 1 2 364.833 3.304 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146722 723964143 /nfs/dbraw/zinc/96/41/43/723964143.db2.gz PZGRDTBYFKKCGW-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146722 723964144 /nfs/dbraw/zinc/96/41/44/723964144.db2.gz PZGRDTBYFKKCGW-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017163 725282371 /nfs/dbraw/zinc/28/23/71/725282371.db2.gz NNOSAHOPRYQOKC-FZMZJTMJSA-N 1 2 374.268 3.197 20 5 FGBDLO C[C@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@]1(F)Cl ZINC000821924701 729132716 /nfs/dbraw/zinc/13/27/16/729132716.db2.gz RHTMKZCYDLBEIN-CABCVRRESA-N 1 2 353.737 3.252 20 5 FGBDLO O=C(O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841009690 730203189 /nfs/dbraw/zinc/20/31/89/730203189.db2.gz GUTIURHCDZLJCC-MRVWCRGKSA-N 1 2 370.192 3.140 20 5 FGBDLO O=C(C[NH+]1CCC2(CC2(F)F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844408682 730714483 /nfs/dbraw/zinc/71/44/83/730714483.db2.gz UCBDTHUFLMQPNY-UHFFFAOYSA-N 1 2 359.760 3.308 20 5 FGBDLO C[C@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412749 732325751 /nfs/dbraw/zinc/32/57/51/732325751.db2.gz XPZFIZGIGLCZGP-UWVGGRQHSA-N 1 2 361.776 3.410 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961604 737090868 /nfs/dbraw/zinc/09/08/68/737090868.db2.gz GVWUCSYZTYDYAA-VXGBXAGGSA-N 1 2 369.849 3.058 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961604 737090873 /nfs/dbraw/zinc/09/08/73/737090873.db2.gz GVWUCSYZTYDYAA-VXGBXAGGSA-N 1 2 369.849 3.058 20 5 FGBDLO O=C(C[N@@H+]1CC[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880317766 737153931 /nfs/dbraw/zinc/15/39/31/737153931.db2.gz RZJQXWLJCQUJMP-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO O=C(C[N@H+]1CC[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880317766 737153933 /nfs/dbraw/zinc/15/39/33/737153933.db2.gz RZJQXWLJCQUJMP-JTQLQIEISA-N 1 2 366.830 3.133 20 5 FGBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892608024 740022620 /nfs/dbraw/zinc/02/26/20/740022620.db2.gz XYKBDKHQXMYPIL-JTQLQIEISA-N 1 2 350.346 3.308 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000930653758 760664174 /nfs/dbraw/zinc/66/41/74/760664174.db2.gz ZEQPMVIMLMDTLO-UHFFFAOYSA-N 1 2 357.435 3.062 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000933978676 761512519 /nfs/dbraw/zinc/51/25/19/761512519.db2.gz SNFJIQIIHUFAFT-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000933978676 761512521 /nfs/dbraw/zinc/51/25/21/761512521.db2.gz SNFJIQIIHUFAFT-INIZCTEOSA-N 1 2 350.419 3.148 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015298270 220151992 /nfs/dbraw/zinc/15/19/92/220151992.db2.gz FEMLILFFRVDDSZ-UHFFFAOYSA-N 1 2 374.393 3.111 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015298270 220151994 /nfs/dbraw/zinc/15/19/94/220151994.db2.gz FEMLILFFRVDDSZ-UHFFFAOYSA-N 1 2 374.393 3.111 20 5 FGBDLO COC(=O)c1cc(NCc2[nH+]ccn2CC(F)(F)F)cc(C)c1[N+](=O)[O-] ZINC000540297680 503731759 /nfs/dbraw/zinc/73/17/59/503731759.db2.gz DJCQUVXGJSTKDL-UHFFFAOYSA-N 1 2 372.303 3.061 20 5 FGBDLO CCc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000571107613 505655609 /nfs/dbraw/zinc/65/56/09/505655609.db2.gz QKNAZQNXCLUOQX-UHFFFAOYSA-N 1 2 365.393 3.167 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533448 493842900 /nfs/dbraw/zinc/84/29/00/493842900.db2.gz WHTKZZAWSTYIMX-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533448 493842903 /nfs/dbraw/zinc/84/29/03/493842903.db2.gz WHTKZZAWSTYIMX-GOSISDBHSA-N 1 2 356.378 3.035 20 5 FGBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070450738 494044757 /nfs/dbraw/zinc/04/47/57/494044757.db2.gz MKQRNMLSFBXCFW-SFHVURJKSA-N 1 2 371.462 3.001 20 5 FGBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000070708856 494050197 /nfs/dbraw/zinc/05/01/97/494050197.db2.gz WPWNCMVDCNYTNG-UHFFFAOYSA-N 1 2 351.472 3.121 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000010895567 494164196 /nfs/dbraw/zinc/16/41/96/494164196.db2.gz WSTOIZSVVWJHCT-UHFFFAOYSA-N 1 2 356.338 3.049 20 5 FGBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000010895567 494164198 /nfs/dbraw/zinc/16/41/98/494164198.db2.gz WSTOIZSVVWJHCT-UHFFFAOYSA-N 1 2 356.338 3.049 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814949 494169637 /nfs/dbraw/zinc/16/96/37/494169637.db2.gz MZKDSEDIZIKZJJ-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814949 494169640 /nfs/dbraw/zinc/16/96/40/494169640.db2.gz MZKDSEDIZIKZJJ-AWEZNQCLSA-N 1 2 367.405 3.417 20 5 FGBDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000054321857 494220749 /nfs/dbraw/zinc/22/07/49/494220749.db2.gz IPOOFVJWMDYYGC-UHFFFAOYSA-N 1 2 369.849 3.324 20 5 FGBDLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000072899476 494279561 /nfs/dbraw/zinc/27/95/61/494279561.db2.gz WCGNSBJCSAUQDI-CQSZACIVSA-N 1 2 363.464 3.045 20 5 FGBDLO NC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000072899476 494279563 /nfs/dbraw/zinc/27/95/63/494279563.db2.gz WCGNSBJCSAUQDI-CQSZACIVSA-N 1 2 363.464 3.045 20 5 FGBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000044711369 494376648 /nfs/dbraw/zinc/37/66/48/494376648.db2.gz WGMPYHHNIUSABR-GFCCVEGCSA-N 1 2 362.817 3.095 20 5 FGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867965 494429003 /nfs/dbraw/zinc/42/90/03/494429003.db2.gz UKZDWKSTICAZLV-OAHLLOKOSA-N 1 2 371.412 3.182 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939184 494433556 /nfs/dbraw/zinc/43/35/56/494433556.db2.gz AJFDMUATWYSUSE-UHFFFAOYSA-N 1 2 369.830 3.389 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939184 494433557 /nfs/dbraw/zinc/43/35/57/494433557.db2.gz AJFDMUATWYSUSE-UHFFFAOYSA-N 1 2 369.830 3.389 20 5 FGBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000125959538 494588920 /nfs/dbraw/zinc/58/89/20/494588920.db2.gz QWVQHEPHCNOJOZ-UHFFFAOYSA-N 1 2 354.341 3.124 20 5 FGBDLO CC1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)c[nH+]2)CC1 ZINC000126085776 494631282 /nfs/dbraw/zinc/63/12/82/494631282.db2.gz PHYOQKGRZFGGLR-UHFFFAOYSA-N 1 2 372.400 3.295 20 5 FGBDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131681391 494696715 /nfs/dbraw/zinc/69/67/15/494696715.db2.gz UJUKTILOIMHBPM-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131681391 494696717 /nfs/dbraw/zinc/69/67/17/494696717.db2.gz UJUKTILOIMHBPM-UHFFFAOYSA-N 1 2 366.439 3.110 20 5 FGBDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ncc1[N+](=O)[O-] ZINC000080585353 494737625 /nfs/dbraw/zinc/73/76/25/494737625.db2.gz UAIRITJSCSLDCF-UHFFFAOYSA-N 1 2 352.847 3.335 20 5 FGBDLO CC(C)(C)c1nsc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000068074640 494752341 /nfs/dbraw/zinc/75/23/41/494752341.db2.gz DPWGYJCSLBGAGE-UHFFFAOYSA-N 1 2 372.410 3.182 20 5 FGBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000121469874 494770297 /nfs/dbraw/zinc/77/02/97/494770297.db2.gz VFHUZNKAQIRCNA-UHFFFAOYSA-N 1 2 374.466 3.336 20 5 FGBDLO Cc1cc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000116426589 494783619 /nfs/dbraw/zinc/78/36/19/494783619.db2.gz NNQIRWWFPNCSSN-UHFFFAOYSA-N 1 2 354.410 3.039 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628825 494805194 /nfs/dbraw/zinc/80/51/94/494805194.db2.gz USVOLZVDCWWBAW-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126628825 494805197 /nfs/dbraw/zinc/80/51/97/494805197.db2.gz USVOLZVDCWWBAW-OLZOCXBDSA-N 1 2 366.439 3.108 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075640167 494807101 /nfs/dbraw/zinc/80/71/01/494807101.db2.gz JFDKTKHYPRJBSN-UHFFFAOYSA-N 1 2 357.292 3.018 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121901565 494885177 /nfs/dbraw/zinc/88/51/77/494885177.db2.gz DBJAAHNBVRMKRO-SJORKVTESA-N 1 2 362.451 3.023 20 5 FGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121901565 494885180 /nfs/dbraw/zinc/88/51/80/494885180.db2.gz DBJAAHNBVRMKRO-SJORKVTESA-N 1 2 362.451 3.023 20 5 FGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127348354 494931711 /nfs/dbraw/zinc/93/17/11/494931711.db2.gz CBHDGPQRRLELQO-CYBMUJFWSA-N 1 2 362.773 3.328 20 5 FGBDLO Cc1cccn2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000117796247 494956419 /nfs/dbraw/zinc/95/64/19/494956419.db2.gz MCXXSOQGVPLANU-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000110302038 494966382 /nfs/dbraw/zinc/96/63/82/494966382.db2.gz FQRLYZVIRUXTNH-UHFFFAOYSA-N 1 2 367.449 3.099 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122473559 494981526 /nfs/dbraw/zinc/98/15/26/494981526.db2.gz SJPANPRDRACJTI-UHFFFAOYSA-N 1 2 352.394 3.381 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128550576 495114717 /nfs/dbraw/zinc/11/47/17/495114717.db2.gz LRSSJXIXPMPVMI-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1F ZINC000135222067 495264879 /nfs/dbraw/zinc/26/48/79/495264879.db2.gz NSFBGIXXMDNVRM-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1F ZINC000135222067 495264881 /nfs/dbraw/zinc/26/48/81/495264881.db2.gz NSFBGIXXMDNVRM-UHFFFAOYSA-N 1 2 357.385 3.015 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000571610955 505772283 /nfs/dbraw/zinc/77/22/83/505772283.db2.gz FIPPZDDNNKMGSQ-DOXZYTNZSA-N 1 2 364.442 3.150 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000571610955 505772286 /nfs/dbraw/zinc/77/22/86/505772286.db2.gz FIPPZDDNNKMGSQ-DOXZYTNZSA-N 1 2 364.442 3.150 20 5 FGBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)oc1C ZINC000104658395 495295644 /nfs/dbraw/zinc/29/56/44/495295644.db2.gz NHNVLPVUUIYUBC-UHFFFAOYSA-N 1 2 367.409 3.070 20 5 FGBDLO CC(=O)N1CCC(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000104660394 495295808 /nfs/dbraw/zinc/29/58/08/495295808.db2.gz DIEOYIIRFQOKMG-UHFFFAOYSA-N 1 2 369.425 3.031 20 5 FGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000120312433 495349242 /nfs/dbraw/zinc/34/92/42/495349242.db2.gz JNWBEEABQKDNKV-ZDUSSCGKSA-N 1 2 374.466 3.145 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccncc3)C3CC3)n2)c1 ZINC000124867736 495356451 /nfs/dbraw/zinc/35/64/51/495356451.db2.gz ZYOKIMDCONRPQA-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccncc3)C3CC3)n2)c1 ZINC000124867736 495356456 /nfs/dbraw/zinc/35/64/56/495356456.db2.gz ZYOKIMDCONRPQA-UHFFFAOYSA-N 1 2 351.366 3.204 20 5 FGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137096391 495422542 /nfs/dbraw/zinc/42/25/42/495422542.db2.gz POJQIHXZSAKXPB-CYBMUJFWSA-N 1 2 374.828 3.162 20 5 FGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000138384477 495460304 /nfs/dbraw/zinc/46/03/04/495460304.db2.gz QLPGJFCVFPVMIQ-IFXJQAMLSA-N 1 2 370.405 3.423 20 5 FGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](c2ccccc2)O1 ZINC000138384477 495460305 /nfs/dbraw/zinc/46/03/05/495460305.db2.gz QLPGJFCVFPVMIQ-IFXJQAMLSA-N 1 2 370.405 3.423 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130984701 495475768 /nfs/dbraw/zinc/47/57/68/495475768.db2.gz BECLZFBGIDRLJC-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130984701 495475772 /nfs/dbraw/zinc/47/57/72/495475772.db2.gz BECLZFBGIDRLJC-UHFFFAOYSA-N 1 2 373.375 3.359 20 5 FGBDLO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000185394316 495561379 /nfs/dbraw/zinc/56/13/79/495561379.db2.gz SQSUTSKKQXBZMN-CQSZACIVSA-N 1 2 368.393 3.298 20 5 FGBDLO Cn1cc([C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000185430503 495574711 /nfs/dbraw/zinc/57/47/11/495574711.db2.gz BJTGOBRWINWWIR-SFHVURJKSA-N 1 2 358.348 3.486 20 5 FGBDLO CCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179641790 495673528 /nfs/dbraw/zinc/67/35/28/495673528.db2.gz NZNXAQUDBHCBBW-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO CCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179641790 495673532 /nfs/dbraw/zinc/67/35/32/495673532.db2.gz NZNXAQUDBHCBBW-OAHLLOKOSA-N 1 2 354.472 3.117 20 5 FGBDLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)oc1C ZINC000182748623 495688167 /nfs/dbraw/zinc/68/81/67/495688167.db2.gz WCWSHZIMIAAGML-HNNXBMFYSA-N 1 2 358.442 3.387 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736650 495710824 /nfs/dbraw/zinc/71/08/24/495710824.db2.gz LGCAJRSCWRJGRJ-ZFWWWQNUSA-N 1 2 367.377 3.110 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179736650 495710828 /nfs/dbraw/zinc/71/08/28/495710828.db2.gz LGCAJRSCWRJGRJ-ZFWWWQNUSA-N 1 2 367.377 3.110 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CCCO)c3ccccc3)n2)c1 ZINC000179748804 495717509 /nfs/dbraw/zinc/71/75/09/495717509.db2.gz IUHMWBNVTMGGLE-KRWDZBQOSA-N 1 2 368.393 3.248 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CCCO)c3ccccc3)n2)cc1 ZINC000179752950 495718187 /nfs/dbraw/zinc/71/81/87/495718187.db2.gz CDZBQKDSNBAOLK-KRWDZBQOSA-N 1 2 368.393 3.248 20 5 FGBDLO COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000185867982 495756411 /nfs/dbraw/zinc/75/64/11/495756411.db2.gz WJPPAFSICYPXOO-UHFFFAOYSA-N 1 2 350.378 3.350 20 5 FGBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000159580939 495762974 /nfs/dbraw/zinc/76/29/74/495762974.db2.gz OUSGEOXRVKWCPG-MWTRTKDXSA-N 1 2 352.843 3.458 20 5 FGBDLO CCc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000174016346 495789547 /nfs/dbraw/zinc/78/95/47/495789547.db2.gz CXQYRLOGJDKBAF-UHFFFAOYSA-N 1 2 352.394 3.245 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164649 495880190 /nfs/dbraw/zinc/88/01/90/495880190.db2.gz UTGXWRHHEXTETD-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186164649 495880195 /nfs/dbraw/zinc/88/01/95/495880195.db2.gz UTGXWRHHEXTETD-AWEZNQCLSA-N 1 2 351.406 3.469 20 5 FGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000186428415 495995100 /nfs/dbraw/zinc/99/51/00/495995100.db2.gz QNQQJWIYJGWOCT-AWEZNQCLSA-N 1 2 367.409 3.451 20 5 FGBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177382515 496039249 /nfs/dbraw/zinc/03/92/49/496039249.db2.gz MIVYTIQGXXMCEL-INIZCTEOSA-N 1 2 367.327 3.104 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000155995970 496128961 /nfs/dbraw/zinc/12/89/61/496128961.db2.gz GZWVJCCNJCDOSL-UHFFFAOYSA-N 1 2 354.370 3.234 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153267110 496402276 /nfs/dbraw/zinc/40/22/76/496402276.db2.gz WXPQEQZAHPARSE-ZDUSSCGKSA-N 1 2 369.421 3.372 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153267110 496402281 /nfs/dbraw/zinc/40/22/81/496402281.db2.gz WXPQEQZAHPARSE-ZDUSSCGKSA-N 1 2 369.421 3.372 20 5 FGBDLO Cc1c(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000178575198 496504842 /nfs/dbraw/zinc/50/48/42/496504842.db2.gz FODREVLDQYGVTH-UHFFFAOYSA-N 1 2 364.405 3.007 20 5 FGBDLO CN(C)c1[nH+]cccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181997885 496629566 /nfs/dbraw/zinc/62/95/66/496629566.db2.gz HGAXGBUWEIWEBK-UHFFFAOYSA-N 1 2 366.830 3.440 20 5 FGBDLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222571 496712679 /nfs/dbraw/zinc/71/26/79/496712679.db2.gz CPVSCVFLFRGSJL-GFCCVEGCSA-N 1 2 354.453 3.123 20 5 FGBDLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222571 496712681 /nfs/dbraw/zinc/71/26/81/496712681.db2.gz CPVSCVFLFRGSJL-GFCCVEGCSA-N 1 2 354.453 3.123 20 5 FGBDLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1[N+](=O)[O-] ZINC000182244879 496718707 /nfs/dbraw/zinc/71/87/07/496718707.db2.gz OVYCJNBKTOHEPC-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1[N+](=O)[O-] ZINC000182244879 496718710 /nfs/dbraw/zinc/71/87/10/496718710.db2.gz OVYCJNBKTOHEPC-UHFFFAOYSA-N 1 2 361.364 3.062 20 5 FGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264221784 496842818 /nfs/dbraw/zinc/84/28/18/496842818.db2.gz WFEUTRRSVVTURP-QPJJXVBHSA-N 1 2 368.315 3.025 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774784 496881774 /nfs/dbraw/zinc/88/17/74/496881774.db2.gz NJDXPCZHDQQJGS-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000277774784 496881778 /nfs/dbraw/zinc/88/17/78/496881778.db2.gz NJDXPCZHDQQJGS-ZWNOBZJWSA-N 1 2 352.740 3.383 20 5 FGBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000274305011 497066129 /nfs/dbraw/zinc/06/61/29/497066129.db2.gz OWFNNGQFQSBKRM-ZDUSSCGKSA-N 1 2 369.450 3.483 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653116 497072531 /nfs/dbraw/zinc/07/25/31/497072531.db2.gz UMOWANWVZQTBMI-PJODQICGSA-N 1 2 366.389 3.049 20 5 FGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000248653116 497072538 /nfs/dbraw/zinc/07/25/38/497072538.db2.gz UMOWANWVZQTBMI-PJODQICGSA-N 1 2 366.389 3.049 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248682427 497079378 /nfs/dbraw/zinc/07/93/78/497079378.db2.gz GAOGKXRHQHJXCO-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248682427 497079382 /nfs/dbraw/zinc/07/93/82/497079382.db2.gz GAOGKXRHQHJXCO-XOBRGWDASA-N 1 2 367.405 3.053 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000192488514 497131328 /nfs/dbraw/zinc/13/13/28/497131328.db2.gz SIARNOJMHNBSAD-AWEZNQCLSA-N 1 2 359.451 3.484 20 5 FGBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000569276215 505894901 /nfs/dbraw/zinc/89/49/01/505894901.db2.gz ANAABCVETVIJNI-UHFFFAOYSA-N 1 2 362.798 3.425 20 5 FGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000266386518 497323361 /nfs/dbraw/zinc/32/33/61/497323361.db2.gz NMJKDAZXIJOGRX-UHFFFAOYSA-N 1 2 351.204 3.395 20 5 FGBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000279216332 497370610 /nfs/dbraw/zinc/37/06/10/497370610.db2.gz OJJHUDBEPWTHMV-SFHVURJKSA-N 1 2 368.437 3.113 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271720172 497428976 /nfs/dbraw/zinc/42/89/76/497428976.db2.gz KSHGFZCTOAAPHP-CQSZACIVSA-N 1 2 352.398 3.038 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190440459 497481281 /nfs/dbraw/zinc/48/12/81/497481281.db2.gz LUGQDKKNVDDQCC-QWRGUYRKSA-N 1 2 357.863 3.260 20 5 FGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC[C@@H](C)C1 ZINC000190440459 497481287 /nfs/dbraw/zinc/48/12/87/497481287.db2.gz LUGQDKKNVDDQCC-QWRGUYRKSA-N 1 2 357.863 3.260 20 5 FGBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000575098780 505920462 /nfs/dbraw/zinc/92/04/62/505920462.db2.gz YZIRBLUIWJDUHU-UHFFFAOYSA-N 1 2 359.773 3.260 20 5 FGBDLO Cc1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272573833 497666852 /nfs/dbraw/zinc/66/68/52/497666852.db2.gz UFBJVSUFTKMVAV-UHFFFAOYSA-N 1 2 363.421 3.300 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272587677 497672332 /nfs/dbraw/zinc/67/23/32/497672332.db2.gz FQLTZRRSZHFJFO-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272587677 497672339 /nfs/dbraw/zinc/67/23/39/497672339.db2.gz FQLTZRRSZHFJFO-QGZVFWFLSA-N 1 2 366.377 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000280389046 497738702 /nfs/dbraw/zinc/73/87/02/497738702.db2.gz WVBGSNWHHPXWHC-AWEZNQCLSA-N 1 2 374.290 3.456 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000296028820 497895957 /nfs/dbraw/zinc/89/59/57/497895957.db2.gz RVEKIZXFTMWGDE-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000296028820 497895961 /nfs/dbraw/zinc/89/59/61/497895961.db2.gz RVEKIZXFTMWGDE-OAHLLOKOSA-N 1 2 366.421 3.415 20 5 FGBDLO C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000364458161 497968049 /nfs/dbraw/zinc/96/80/49/497968049.db2.gz GFAHZUKYHSDBIF-GXFFZTMASA-N 1 2 355.320 3.293 20 5 FGBDLO Cc1ccc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000301461253 498119733 /nfs/dbraw/zinc/11/97/33/498119733.db2.gz ZLFYJSGZCFOFFK-UHFFFAOYSA-N 1 2 355.442 3.452 20 5 FGBDLO COCC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289452836 498153752 /nfs/dbraw/zinc/15/37/52/498153752.db2.gz NLLTURMGYIIJTG-UHFFFAOYSA-N 1 2 367.352 3.240 20 5 FGBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289452836 498153759 /nfs/dbraw/zinc/15/37/59/498153759.db2.gz NLLTURMGYIIJTG-UHFFFAOYSA-N 1 2 367.352 3.240 20 5 FGBDLO Cc1cc(F)c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000296752194 498181962 /nfs/dbraw/zinc/18/19/62/498181962.db2.gz NZTPBKXBTHKSMT-UHFFFAOYSA-N 1 2 373.388 3.359 20 5 FGBDLO COc1cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000296781852 498193958 /nfs/dbraw/zinc/19/39/58/498193958.db2.gz QFQPONXHMHCBQH-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000296781852 498193967 /nfs/dbraw/zinc/19/39/67/498193967.db2.gz QFQPONXHMHCBQH-UHFFFAOYSA-N 1 2 373.384 3.006 20 5 FGBDLO COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2[nH+]ccn2C)cc1 ZINC000301628096 498195954 /nfs/dbraw/zinc/19/59/54/498195954.db2.gz HZZSAGRCAAOOHF-QGZVFWFLSA-N 1 2 353.382 3.242 20 5 FGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281687234 498236937 /nfs/dbraw/zinc/23/69/37/498236937.db2.gz MTILURRFHBRXAX-FQEVSTJZSA-N 1 2 372.421 3.142 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000301968302 498348788 /nfs/dbraw/zinc/34/87/88/498348788.db2.gz XXGPDQJSJCUBMP-UHFFFAOYSA-N 1 2 362.455 3.081 20 5 FGBDLO C[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000365408595 498452570 /nfs/dbraw/zinc/45/25/70/498452570.db2.gz YCNNTQDJLZVAKZ-LBPRGKRZSA-N 1 2 360.389 3.029 20 5 FGBDLO O=C(NCCCCn1cc[nH+]c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000578951309 506058349 /nfs/dbraw/zinc/05/83/49/506058349.db2.gz QDERVAPONPFLBW-UHFFFAOYSA-N 1 2 360.417 3.088 20 5 FGBDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116512 498669032 /nfs/dbraw/zinc/66/90/32/498669032.db2.gz OSYUQAYLDZXWFK-ZDUSSCGKSA-N 1 2 353.382 3.014 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)c1 ZINC000363171136 498684484 /nfs/dbraw/zinc/68/44/84/498684484.db2.gz TVAZWILQPUFGBY-QGZVFWFLSA-N 1 2 370.388 3.158 20 5 FGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)c1 ZINC000363171136 498684489 /nfs/dbraw/zinc/68/44/89/498684489.db2.gz TVAZWILQPUFGBY-QGZVFWFLSA-N 1 2 370.388 3.158 20 5 FGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000363216346 498708828 /nfs/dbraw/zinc/70/88/28/498708828.db2.gz NDXUZQYZYIATOA-UHFFFAOYSA-N 1 2 372.772 3.151 20 5 FGBDLO CCOC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000317602890 498793592 /nfs/dbraw/zinc/79/35/92/498793592.db2.gz BRQRIRKTKLPKCT-UHFFFAOYSA-N 1 2 371.231 3.132 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363875141 499034613 /nfs/dbraw/zinc/03/46/13/499034613.db2.gz KMVWYZGCROITBV-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363875141 499034618 /nfs/dbraw/zinc/03/46/18/499034618.db2.gz KMVWYZGCROITBV-UHFFFAOYSA-N 1 2 374.466 3.016 20 5 FGBDLO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000284041859 499036144 /nfs/dbraw/zinc/03/61/44/499036144.db2.gz IZFBKQPWTNMPFW-UHFFFAOYSA-N 1 2 373.365 3.382 20 5 FGBDLO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000284041859 499036148 /nfs/dbraw/zinc/03/61/48/499036148.db2.gz IZFBKQPWTNMPFW-UHFFFAOYSA-N 1 2 373.365 3.382 20 5 FGBDLO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000372581154 499148782 /nfs/dbraw/zinc/14/87/82/499148782.db2.gz FQFHUBZMRRKSMM-UHFFFAOYSA-N 1 2 355.398 3.123 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000368124189 499266916 /nfs/dbraw/zinc/26/69/16/499266916.db2.gz QDZUYRREXZKUJP-UHFFFAOYSA-N 1 2 363.805 3.445 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(C(F)(F)F)CC1 ZINC000582139390 506142759 /nfs/dbraw/zinc/14/27/59/506142759.db2.gz JCNNRUJAGWMYGH-UHFFFAOYSA-N 1 2 359.348 3.181 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000369143026 499370451 /nfs/dbraw/zinc/37/04/51/499370451.db2.gz HADAHPGVMOGBDQ-AWEZNQCLSA-N 1 2 351.366 3.424 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283135 499502813 /nfs/dbraw/zinc/50/28/13/499502813.db2.gz CLKFTKQMMUCIFP-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283135 499502814 /nfs/dbraw/zinc/50/28/14/499502814.db2.gz CLKFTKQMMUCIFP-YVEFUNNKSA-N 1 2 367.833 3.078 20 5 FGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375339463 499508840 /nfs/dbraw/zinc/50/88/40/499508840.db2.gz ZUEWPKMNSFJMQQ-AWEZNQCLSA-N 1 2 372.400 3.278 20 5 FGBDLO O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1Br ZINC000375352525 499509627 /nfs/dbraw/zinc/50/96/27/499509627.db2.gz KOQKWMRCTZVIGU-GFCCVEGCSA-N 1 2 351.204 3.418 20 5 FGBDLO CCOC(=O)C1(C)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000378409400 499513401 /nfs/dbraw/zinc/51/34/01/499513401.db2.gz LWCHPCVUUVMFQG-UHFFFAOYSA-N 1 2 373.409 3.415 20 5 FGBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000375639429 499540106 /nfs/dbraw/zinc/54/01/06/499540106.db2.gz BNMCWHPXXOUSPA-OAHLLOKOSA-N 1 2 361.442 3.029 20 5 FGBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000375935165 499569728 /nfs/dbraw/zinc/56/97/28/499569728.db2.gz YYFVYRLSESGRTM-UHFFFAOYSA-N 1 2 366.368 3.361 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000377880984 499744900 /nfs/dbraw/zinc/74/49/00/499744900.db2.gz WFVXNKCFOLNKSA-LLVKDONJSA-N 1 2 363.805 3.393 20 5 FGBDLO CC(C)Oc1cc(C(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000412113454 499824644 /nfs/dbraw/zinc/82/46/44/499824644.db2.gz IEIMDZVWXUZQTJ-UHFFFAOYSA-N 1 2 358.398 3.009 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000412192001 499832369 /nfs/dbraw/zinc/83/23/69/499832369.db2.gz ZLWZMRIJVZVRKI-YOEHRIQHSA-N 1 2 372.425 3.302 20 5 FGBDLO COc1cccc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000413025675 499905114 /nfs/dbraw/zinc/90/51/14/499905114.db2.gz RUPVEYROHURSPF-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](c4nnc5n4CCC5)C3)c2c1 ZINC000413124809 499916880 /nfs/dbraw/zinc/91/68/80/499916880.db2.gz GPYAKHIPHUSQHN-CQSZACIVSA-N 1 2 364.409 3.065 20 5 FGBDLO O=C(C1CCC1)N(CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413134456 499918112 /nfs/dbraw/zinc/91/81/12/499918112.db2.gz LIUPXJJWEKHPPF-UHFFFAOYSA-N 1 2 368.437 3.158 20 5 FGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](OCc4ccccn4)C3)c2c1 ZINC000413188974 499924553 /nfs/dbraw/zinc/92/45/53/499924553.db2.gz AUVPCZWQBLLGER-KRWDZBQOSA-N 1 2 350.378 3.334 20 5 FGBDLO O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000413206281 499926785 /nfs/dbraw/zinc/92/67/85/499926785.db2.gz QJUYQLJTTHSPEM-JTQLQIEISA-N 1 2 353.304 3.094 20 5 FGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000413269335 499934864 /nfs/dbraw/zinc/93/48/64/499934864.db2.gz NFIMCXULCVSBOR-LPMFXHHGSA-N 1 2 357.410 3.306 20 5 FGBDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000413292654 499938152 /nfs/dbraw/zinc/93/81/52/499938152.db2.gz DQBMYYNVJAAHHM-BMGDILEWSA-N 1 2 354.410 3.202 20 5 FGBDLO Cc1noc(C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000429557355 500102453 /nfs/dbraw/zinc/10/24/53/500102453.db2.gz JHHJBEMBFKDCNA-MRXNPFEDSA-N 1 2 356.357 3.499 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000430197388 500207448 /nfs/dbraw/zinc/20/74/48/500207448.db2.gz VHQDOSCPCLOWBE-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000430197388 500207451 /nfs/dbraw/zinc/20/74/51/500207451.db2.gz VHQDOSCPCLOWBE-UHFFFAOYSA-N 1 2 352.394 3.421 20 5 FGBDLO COC1(C(F)(F)F)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000419346553 500355927 /nfs/dbraw/zinc/35/59/27/500355927.db2.gz ILGUGEYDULLJLQ-UHFFFAOYSA-N 1 2 358.320 3.014 20 5 FGBDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032660 500560658 /nfs/dbraw/zinc/56/06/58/500560658.db2.gz WZNWESYTMOPGNY-OLZOCXBDSA-N 1 2 374.441 3.271 20 5 FGBDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000421032660 500560659 /nfs/dbraw/zinc/56/06/59/500560659.db2.gz WZNWESYTMOPGNY-OLZOCXBDSA-N 1 2 374.441 3.271 20 5 FGBDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000432927637 500592434 /nfs/dbraw/zinc/59/24/34/500592434.db2.gz NMZMPURDHIVGSK-ZDUSSCGKSA-N 1 2 373.409 3.166 20 5 FGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c(F)c1 ZINC000433068037 500618587 /nfs/dbraw/zinc/61/85/87/500618587.db2.gz NEOZAFNYFARQDP-UHFFFAOYSA-N 1 2 362.376 3.399 20 5 FGBDLO CCOc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447815690 500669206 /nfs/dbraw/zinc/66/92/06/500669206.db2.gz FWRXYZFCBYSUOQ-UHFFFAOYSA-N 1 2 371.437 3.438 20 5 FGBDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000447818836 500669903 /nfs/dbraw/zinc/66/99/03/500669903.db2.gz ZAYQSPUTGDGGHE-AWEZNQCLSA-N 1 2 357.410 3.306 20 5 FGBDLO CCOC(=O)c1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000443884606 500773320 /nfs/dbraw/zinc/77/33/20/500773320.db2.gz YBROCYGKYBNZGC-CYBMUJFWSA-N 1 2 358.398 3.266 20 5 FGBDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448717987 500813023 /nfs/dbraw/zinc/81/30/23/500813023.db2.gz ZSUQYAJCFKSMCZ-KSSFIOAISA-N 1 2 372.425 3.106 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444246020 500823251 /nfs/dbraw/zinc/82/32/51/500823251.db2.gz YMJNSXWWCVRYTA-OAHLLOKOSA-N 1 2 372.428 3.045 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579311 506220506 /nfs/dbraw/zinc/22/05/06/506220506.db2.gz VERLIMBSVXNPEL-ZWNOBZJWSA-N 1 2 368.340 3.409 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579311 506220511 /nfs/dbraw/zinc/22/05/11/506220511.db2.gz VERLIMBSVXNPEL-ZWNOBZJWSA-N 1 2 368.340 3.409 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000435987314 501054265 /nfs/dbraw/zinc/05/42/65/501054265.db2.gz CRRWEKQCCIHYEU-HNNXBMFYSA-N 1 2 358.398 3.187 20 5 FGBDLO CC(C)C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450445434 501123280 /nfs/dbraw/zinc/12/32/80/501123280.db2.gz GMMRKAAYVQJWRP-CVEARBPZSA-N 1 2 372.425 3.104 20 5 FGBDLO Cc1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450700869 501188905 /nfs/dbraw/zinc/18/89/05/501188905.db2.gz FMRXXAWTUGGHOE-KURKYZTESA-N 1 2 368.437 3.490 20 5 FGBDLO CCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450149066 501194234 /nfs/dbraw/zinc/19/42/34/501194234.db2.gz RQUBYNYHSSLLLP-UHFFFAOYSA-N 1 2 372.425 3.107 20 5 FGBDLO O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159269 501196971 /nfs/dbraw/zinc/19/69/71/501196971.db2.gz SOVIYBXHTUJPLS-HNNXBMFYSA-N 1 2 370.409 3.002 20 5 FGBDLO Cc1cc(N2CC[C@@H](O)CC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450856514 501219311 /nfs/dbraw/zinc/21/93/11/501219311.db2.gz OVWMIAOAJFLRDG-MRXNPFEDSA-N 1 2 356.426 3.348 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451007859 501238614 /nfs/dbraw/zinc/23/86/14/501238614.db2.gz VXUILDLOVZGNKJ-INIZCTEOSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451007859 501238615 /nfs/dbraw/zinc/23/86/15/501238615.db2.gz VXUILDLOVZGNKJ-INIZCTEOSA-N 1 2 354.410 3.116 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409109 501285574 /nfs/dbraw/zinc/28/55/74/501285574.db2.gz PSTHTDDLPXAPAQ-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409109 501285575 /nfs/dbraw/zinc/28/55/75/501285575.db2.gz PSTHTDDLPXAPAQ-YPMHNXCESA-N 1 2 371.359 3.147 20 5 FGBDLO CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451436883 501293208 /nfs/dbraw/zinc/29/32/08/501293208.db2.gz XLRWZKYCSPBDBI-QMTHXVAHSA-N 1 2 370.331 3.487 20 5 FGBDLO CCc1ccc([C@H]([NH2+][C@@H]2CC(=O)N(CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453375549 501321774 /nfs/dbraw/zinc/32/17/74/501321774.db2.gz XDSVODHGKYAVSE-AUUYWEPGSA-N 1 2 357.410 3.050 20 5 FGBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451876045 501390947 /nfs/dbraw/zinc/39/09/47/501390947.db2.gz XKPLAKXJSZQYCQ-LLVKDONJSA-N 1 2 372.347 3.052 20 5 FGBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451876045 501390950 /nfs/dbraw/zinc/39/09/50/501390950.db2.gz XKPLAKXJSZQYCQ-LLVKDONJSA-N 1 2 372.347 3.052 20 5 FGBDLO CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC12CCC2 ZINC000451955369 501407665 /nfs/dbraw/zinc/40/76/65/501407665.db2.gz OXHBLKLONYNOEF-KRWDZBQOSA-N 1 2 354.410 3.431 20 5 FGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCC[C@@H]21 ZINC000452152890 501447351 /nfs/dbraw/zinc/44/73/51/501447351.db2.gz DFEVKLWYVWREMI-GJZGRUSLSA-N 1 2 354.410 3.431 20 5 FGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454188934 501478483 /nfs/dbraw/zinc/47/84/83/501478483.db2.gz WUYXPMZGEZXKHB-ZDUSSCGKSA-N 1 2 367.409 3.313 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456369753 501511379 /nfs/dbraw/zinc/51/13/79/501511379.db2.gz YBWGYNNVWDGEGO-ZETCQYMHSA-N 1 2 373.232 3.126 20 5 FGBDLO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)n1 ZINC000602677064 506259282 /nfs/dbraw/zinc/25/92/82/506259282.db2.gz QEAMYOPWFMXZTM-UHFFFAOYSA-N 1 2 371.315 3.316 20 5 FGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])ccc2n1[C@H](C)CO ZINC000456737865 501590262 /nfs/dbraw/zinc/59/02/62/501590262.db2.gz XLELTRVUNRNHGD-GFCCVEGCSA-N 1 2 368.393 3.367 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H](CCO)CC2)cc1Br ZINC000602696296 506264814 /nfs/dbraw/zinc/26/48/14/506264814.db2.gz XQAHBMPWSINMDU-JTQLQIEISA-N 1 2 363.277 3.403 20 5 FGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1Br ZINC000602696296 506264819 /nfs/dbraw/zinc/26/48/19/506264819.db2.gz XQAHBMPWSINMDU-JTQLQIEISA-N 1 2 363.277 3.403 20 5 FGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000454811177 501635193 /nfs/dbraw/zinc/63/51/93/501635193.db2.gz ZLSGDIKMORZOEL-JTQLQIEISA-N 1 2 351.794 3.025 20 5 FGBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459576011 501679711 /nfs/dbraw/zinc/67/97/11/501679711.db2.gz DBJYFIXNJHJICF-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459576011 501679713 /nfs/dbraw/zinc/67/97/13/501679713.db2.gz DBJYFIXNJHJICF-UHFFFAOYSA-N 1 2 370.413 3.037 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318301 501681241 /nfs/dbraw/zinc/68/12/41/501681241.db2.gz UKCXCUUVEVUCNY-UHFFFAOYSA-N 1 2 366.468 3.477 20 5 FGBDLO Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481301833 501737593 /nfs/dbraw/zinc/73/75/93/501737593.db2.gz AOSFKNUCMVELCS-UHFFFAOYSA-N 1 2 362.349 3.218 20 5 FGBDLO O=[N+]([O-])c1ccc2ncnc(N3CCc4c([nH+]cn4-c4ccccc4)C3)c2c1 ZINC000611714407 506270649 /nfs/dbraw/zinc/27/06/49/506270649.db2.gz QJKMNVVOVVDQHC-UHFFFAOYSA-N 1 2 372.388 3.286 20 5 FGBDLO COC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCCC1 ZINC000474236061 501754834 /nfs/dbraw/zinc/75/48/34/501754834.db2.gz VQYIYYRAZQBRFD-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO COC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCCC1 ZINC000474236061 501754835 /nfs/dbraw/zinc/75/48/35/501754835.db2.gz VQYIYYRAZQBRFD-UHFFFAOYSA-N 1 2 350.415 3.300 20 5 FGBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)nc1-c1ccc(F)cc1 ZINC000485391244 501807198 /nfs/dbraw/zinc/80/71/98/501807198.db2.gz QFDQJFDVKMTNOE-UHFFFAOYSA-N 1 2 363.414 3.220 20 5 FGBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904917 501848584 /nfs/dbraw/zinc/84/85/84/501848584.db2.gz BHFGEFWJNCSVAE-MGPLVRAMSA-N 1 2 372.368 3.204 20 5 FGBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470904917 501848590 /nfs/dbraw/zinc/84/85/90/501848590.db2.gz BHFGEFWJNCSVAE-MGPLVRAMSA-N 1 2 372.368 3.204 20 5 FGBDLO CCn1c2ccc(C)cc2[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000460671374 501891661 /nfs/dbraw/zinc/89/16/61/501891661.db2.gz LNTFSJDLXIVRDM-UHFFFAOYSA-N 1 2 356.382 3.021 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000485711066 501910232 /nfs/dbraw/zinc/91/02/32/501910232.db2.gz UZGSZQWLSXNRHC-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000464721172 502072009 /nfs/dbraw/zinc/07/20/09/502072009.db2.gz VGAOZOVLDRWHDZ-CZUORRHYSA-N 1 2 354.410 3.263 20 5 FGBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000482668509 502146302 /nfs/dbraw/zinc/14/63/02/502146302.db2.gz JSURTCUPMLGHTE-ZBFHGGJFSA-N 1 2 372.425 3.058 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000486688261 502232094 /nfs/dbraw/zinc/23/20/94/502232094.db2.gz NANDAJWSKAAUKS-UHFFFAOYSA-N 1 2 360.439 3.450 20 5 FGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccc([N+](=O)[O-])c(N)c2F)C3)cc1 ZINC000486787199 502261320 /nfs/dbraw/zinc/26/13/20/502261320.db2.gz IFPGXTSHZGQDSI-UHFFFAOYSA-N 1 2 367.384 3.373 20 5 FGBDLO Cc1cc(N[C@H]2CCOC3(CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000486908455 502300476 /nfs/dbraw/zinc/30/04/76/502300476.db2.gz SQJSTCCUJTXQHA-HNNXBMFYSA-N 1 2 354.410 3.296 20 5 FGBDLO C[C@@H](c1ccsc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000462452846 502444778 /nfs/dbraw/zinc/44/47/78/502444778.db2.gz QBQWNKYOYWQZMD-HNNXBMFYSA-N 1 2 361.467 3.414 20 5 FGBDLO COc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000477143083 502690687 /nfs/dbraw/zinc/69/06/87/502690687.db2.gz ZQSNISYPJDRFGD-UHFFFAOYSA-N 1 2 368.368 3.491 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463399967 502783233 /nfs/dbraw/zinc/78/32/33/502783233.db2.gz UIBJQEFTILSIEV-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000512978548 502825087 /nfs/dbraw/zinc/82/50/87/502825087.db2.gz DWRWDLWCZNINPY-UHFFFAOYSA-N 1 2 350.378 3.095 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488858198 502826232 /nfs/dbraw/zinc/82/62/32/502826232.db2.gz QYRQXVLEYXQRBC-UHFFFAOYSA-N 1 2 361.442 3.171 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602885543 506336880 /nfs/dbraw/zinc/33/68/80/506336880.db2.gz XWYYOBSDHVABJF-AWEZNQCLSA-N 1 2 350.378 3.233 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000488991497 502855790 /nfs/dbraw/zinc/85/57/90/502855790.db2.gz HUJFYBALISHURA-CYBMUJFWSA-N 1 2 372.356 3.314 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)nc2c1 ZINC000488991497 502855794 /nfs/dbraw/zinc/85/57/94/502855794.db2.gz HUJFYBALISHURA-CYBMUJFWSA-N 1 2 372.356 3.314 20 5 FGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505484509 502913847 /nfs/dbraw/zinc/91/38/47/502913847.db2.gz RVMNQMLLTMIIKN-OAHLLOKOSA-N 1 2 363.776 3.174 20 5 FGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000505607245 502948232 /nfs/dbraw/zinc/94/82/32/502948232.db2.gz GJJFJWOBJQNEDT-UHFFFAOYSA-N 1 2 369.421 3.078 20 5 FGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513991733 503062295 /nfs/dbraw/zinc/06/22/95/503062295.db2.gz JTAWJFISYWEJIT-MRXNPFEDSA-N 1 2 363.776 3.174 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000506284831 503086110 /nfs/dbraw/zinc/08/61/10/503086110.db2.gz YCQAKRYCEMEIDY-UHFFFAOYSA-N 1 2 359.401 3.147 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000506284831 503086112 /nfs/dbraw/zinc/08/61/12/503086112.db2.gz YCQAKRYCEMEIDY-UHFFFAOYSA-N 1 2 359.401 3.147 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000510382943 503103747 /nfs/dbraw/zinc/10/37/47/503103747.db2.gz RRCVTFLPUHFOGK-QGZVFWFLSA-N 1 2 369.425 3.154 20 5 FGBDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000490429024 503172881 /nfs/dbraw/zinc/17/28/81/503172881.db2.gz DVHWWCOMRKXNLT-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO CCN(CC)c1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000506838257 503182437 /nfs/dbraw/zinc/18/24/37/503182437.db2.gz OGFXTQJHKSVPJQ-UHFFFAOYSA-N 1 2 355.398 3.464 20 5 FGBDLO CCc1nc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000511109510 503256568 /nfs/dbraw/zinc/25/65/68/503256568.db2.gz OLGBKSNWELCLLJ-UHFFFAOYSA-N 1 2 362.455 3.035 20 5 FGBDLO CCc1nc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000511109510 503256570 /nfs/dbraw/zinc/25/65/70/503256570.db2.gz OLGBKSNWELCLLJ-UHFFFAOYSA-N 1 2 362.455 3.035 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263054 503263620 /nfs/dbraw/zinc/26/36/20/503263620.db2.gz NTXNPQQOMUISOZ-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507263054 503263622 /nfs/dbraw/zinc/26/36/22/503263622.db2.gz NTXNPQQOMUISOZ-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000515396857 503330357 /nfs/dbraw/zinc/33/03/57/503330357.db2.gz BEFHDOHPJXFYHI-UHFFFAOYSA-N 1 2 363.849 3.095 20 5 FGBDLO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492783534 503384476 /nfs/dbraw/zinc/38/44/76/503384476.db2.gz LUPHARJYPRABMS-IBGZPJMESA-N 1 2 364.405 3.499 20 5 FGBDLO Cc1cc(Br)cn2cc(CNc3ncccc3[N+](=O)[O-])[nH+]c12 ZINC000546757833 503866780 /nfs/dbraw/zinc/86/67/80/503866780.db2.gz LYJVNIKYDOTLAN-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000544040872 503982331 /nfs/dbraw/zinc/98/23/31/503982331.db2.gz OWOZPKYLSNKHJZ-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO COc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000530701700 504057176 /nfs/dbraw/zinc/05/71/76/504057176.db2.gz WDJCKQOPIVXFIZ-UHFFFAOYSA-N 1 2 363.364 3.204 20 5 FGBDLO Cc1cccn2cc(CC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000547339356 504067987 /nfs/dbraw/zinc/06/79/87/504067987.db2.gz OHUJIDJOGBVPKA-UHFFFAOYSA-N 1 2 358.785 3.063 20 5 FGBDLO CCc1ccc([C@@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381686 504110623 /nfs/dbraw/zinc/11/06/23/504110623.db2.gz FAVXVSWHOYWHQH-QRWLVFNGSA-N 1 2 371.437 3.439 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1cccc(F)c1 ZINC000534513806 504162596 /nfs/dbraw/zinc/16/25/96/504162596.db2.gz WQOBBHJCUHWSSF-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCN1c1cccc(F)c1 ZINC000534513806 504162599 /nfs/dbraw/zinc/16/25/99/504162599.db2.gz WQOBBHJCUHWSSF-IBGZPJMESA-N 1 2 369.396 3.288 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000538391244 504231600 /nfs/dbraw/zinc/23/16/00/504231600.db2.gz QSSUCPASNNGODQ-OAHLLOKOSA-N 1 2 373.413 3.089 20 5 FGBDLO COC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000538614370 504304071 /nfs/dbraw/zinc/30/40/71/504304071.db2.gz OHNGXBVDHYPQTL-YRNVUSSQSA-N 1 2 354.406 3.326 20 5 FGBDLO COC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000538614370 504304074 /nfs/dbraw/zinc/30/40/74/504304074.db2.gz OHNGXBVDHYPQTL-YRNVUSSQSA-N 1 2 354.406 3.326 20 5 FGBDLO C[C@H](c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856635 504365768 /nfs/dbraw/zinc/36/57/68/504365768.db2.gz ISQGFYIVEKOYMK-APHBMKBZSA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@H](c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856635 504365775 /nfs/dbraw/zinc/36/57/75/504365775.db2.gz ISQGFYIVEKOYMK-APHBMKBZSA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@@H](c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856652 504365851 /nfs/dbraw/zinc/36/58/51/504365851.db2.gz ISQGFYIVEKOYMK-DAXOMENPSA-N 1 2 358.398 3.055 20 5 FGBDLO C[C@@H](c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000519856652 504365857 /nfs/dbraw/zinc/36/58/57/504365857.db2.gz ISQGFYIVEKOYMK-DAXOMENPSA-N 1 2 358.398 3.055 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248547 504382049 /nfs/dbraw/zinc/38/20/49/504382049.db2.gz SIVLWNFANQCJOS-INIZCTEOSA-N 1 2 367.449 3.390 20 5 FGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248547 504382055 /nfs/dbraw/zinc/38/20/55/504382055.db2.gz SIVLWNFANQCJOS-INIZCTEOSA-N 1 2 367.449 3.390 20 5 FGBDLO COc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000542181440 504395840 /nfs/dbraw/zinc/39/58/40/504395840.db2.gz JINFRMWYVUXFHY-UHFFFAOYSA-N 1 2 372.425 3.133 20 5 FGBDLO Cc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000542182961 504396112 /nfs/dbraw/zinc/39/61/12/504396112.db2.gz QUNFAUQRULEULR-UHFFFAOYSA-N 1 2 356.426 3.432 20 5 FGBDLO Cc1[nH]c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2[nH+]1 ZINC000535395432 504423114 /nfs/dbraw/zinc/42/31/14/504423114.db2.gz URVDXUBKSMYCSY-UHFFFAOYSA-N 1 2 360.395 3.197 20 5 FGBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc2c(c1)CCC2 ZINC000536006036 504604844 /nfs/dbraw/zinc/60/48/44/504604844.db2.gz YAJKVUJCKQNFND-UHFFFAOYSA-N 1 2 351.406 3.080 20 5 FGBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc2c(c1)CCC2 ZINC000536006036 504604849 /nfs/dbraw/zinc/60/48/49/504604849.db2.gz YAJKVUJCKQNFND-UHFFFAOYSA-N 1 2 351.406 3.080 20 5 FGBDLO C[C@@](O)(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)C(F)(F)F ZINC000545931368 504643265 /nfs/dbraw/zinc/64/32/65/504643265.db2.gz CKLGZMCYQOKZPI-OAHLLOKOSA-N 1 2 373.331 3.261 20 5 FGBDLO COC(=O)c1cc(NCCc2[nH]c3ccccc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000549106979 504687737 /nfs/dbraw/zinc/68/77/37/504687737.db2.gz CPXZIROTBNUFDM-UHFFFAOYSA-N 1 2 354.366 3.221 20 5 FGBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000536361322 504709908 /nfs/dbraw/zinc/70/99/08/504709908.db2.gz ZGBXEKKUAYFLOC-MRXNPFEDSA-N 1 2 360.357 3.206 20 5 FGBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000536361322 504709914 /nfs/dbraw/zinc/70/99/14/504709914.db2.gz ZGBXEKKUAYFLOC-MRXNPFEDSA-N 1 2 360.357 3.206 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000539861944 504720587 /nfs/dbraw/zinc/72/05/87/504720587.db2.gz BSIBONWQGPWKPE-UITAMQMPSA-N 1 2 353.426 3.373 20 5 FGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000539861944 504720593 /nfs/dbraw/zinc/72/05/93/504720593.db2.gz BSIBONWQGPWKPE-UITAMQMPSA-N 1 2 353.426 3.373 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000532746210 504750093 /nfs/dbraw/zinc/75/00/93/504750093.db2.gz NKFAMAAVDWVAIK-UHFFFAOYSA-N 1 2 370.405 3.418 20 5 FGBDLO CCOc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000532746210 504750096 /nfs/dbraw/zinc/75/00/96/504750096.db2.gz NKFAMAAVDWVAIK-UHFFFAOYSA-N 1 2 370.405 3.418 20 5 FGBDLO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000521617364 504765054 /nfs/dbraw/zinc/76/50/54/504765054.db2.gz BTPJAOBYHATLCS-JTQLQIEISA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000521617364 504765057 /nfs/dbraw/zinc/76/50/57/504765057.db2.gz BTPJAOBYHATLCS-JTQLQIEISA-N 1 2 350.362 3.345 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540044593 504765640 /nfs/dbraw/zinc/76/56/40/504765640.db2.gz WAWMSPXXPUWQPM-UHFFFAOYSA-N 1 2 368.437 3.191 20 5 FGBDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559071295 504773907 /nfs/dbraw/zinc/77/39/07/504773907.db2.gz NYRHVIMSLGXBHM-AWEZNQCLSA-N 1 2 358.394 3.112 20 5 FGBDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559071295 504773910 /nfs/dbraw/zinc/77/39/10/504773910.db2.gz NYRHVIMSLGXBHM-AWEZNQCLSA-N 1 2 358.394 3.112 20 5 FGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000565270472 504838916 /nfs/dbraw/zinc/83/89/16/504838916.db2.gz DFDCGQZXROCFRZ-GQPJMJRUSA-N 1 2 358.419 3.116 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000549717621 504879961 /nfs/dbraw/zinc/87/99/61/504879961.db2.gz HHZPQMFTKBGZPI-DZGCQCFKSA-N 1 2 360.435 3.301 20 5 FGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000549717621 504879964 /nfs/dbraw/zinc/87/99/64/504879964.db2.gz HHZPQMFTKBGZPI-DZGCQCFKSA-N 1 2 360.435 3.301 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000549885486 504924729 /nfs/dbraw/zinc/92/47/29/504924729.db2.gz WBRPACRCLGFDDO-KBPBESRZSA-N 1 2 362.373 3.320 20 5 FGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000549885486 504924731 /nfs/dbraw/zinc/92/47/31/504924731.db2.gz WBRPACRCLGFDDO-KBPBESRZSA-N 1 2 362.373 3.320 20 5 FGBDLO CNC(=O)c1ccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000565623963 504940411 /nfs/dbraw/zinc/94/04/11/504940411.db2.gz ADNJCXWAHMZJSR-SHTZXODSSA-N 1 2 369.425 3.185 20 5 FGBDLO COC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000556908930 505013500 /nfs/dbraw/zinc/01/35/00/505013500.db2.gz MEFMQGFHUKOFTF-QGZVFWFLSA-N 1 2 372.421 3.403 20 5 FGBDLO COC[C@H]1CC[N@H+]1Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000556908930 505013504 /nfs/dbraw/zinc/01/35/04/505013504.db2.gz MEFMQGFHUKOFTF-QGZVFWFLSA-N 1 2 372.421 3.403 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000560207048 505018226 /nfs/dbraw/zinc/01/82/26/505018226.db2.gz SCPFWQINCUMCCK-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO Cc1cc(N[C@H](C)c2nnc(C(C)C)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000560257982 505031255 /nfs/dbraw/zinc/03/12/55/505031255.db2.gz YWSNAPBOHDUJRQ-GFCCVEGCSA-N 1 2 367.413 3.197 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000553908083 505039483 /nfs/dbraw/zinc/03/94/83/505039483.db2.gz UCKWXMSJQWWZCX-DYVFJYSZSA-N 1 2 354.410 3.320 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000553908083 505039487 /nfs/dbraw/zinc/03/94/87/505039487.db2.gz UCKWXMSJQWWZCX-DYVFJYSZSA-N 1 2 354.410 3.320 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000560431429 505082282 /nfs/dbraw/zinc/08/22/82/505082282.db2.gz KMIYSLGCPMPUQY-UHFFFAOYSA-N 1 2 361.467 3.373 20 5 FGBDLO CC(=O)Nc1cccc(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000560546544 505122161 /nfs/dbraw/zinc/12/21/61/505122161.db2.gz VMNQPLMKBZLSTH-GOSISDBHSA-N 1 2 365.393 3.488 20 5 FGBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(Br)cn1 ZINC000566476112 505185595 /nfs/dbraw/zinc/18/55/95/505185595.db2.gz UFPSRZIYGFSRHY-ZANVPECISA-N 1 2 363.215 3.485 20 5 FGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000563651369 505202235 /nfs/dbraw/zinc/20/22/35/505202235.db2.gz OVTLFACNDIAYAF-UHFFFAOYSA-N 1 2 372.331 3.455 20 5 FGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000561134922 505259203 /nfs/dbraw/zinc/25/92/03/505259203.db2.gz HBKPUAWUDBLPJJ-QGZVFWFLSA-N 1 2 364.405 3.499 20 5 FGBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000561138793 505260895 /nfs/dbraw/zinc/26/08/95/505260895.db2.gz QAWMCCANWATWRT-UHFFFAOYSA-N 1 2 366.406 3.456 20 5 FGBDLO O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000554788539 505265531 /nfs/dbraw/zinc/26/55/31/505265531.db2.gz GETZUHZHCGKYTC-UHFFFAOYSA-N 1 2 361.361 3.480 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555315318 505405639 /nfs/dbraw/zinc/40/56/39/505405639.db2.gz CCFKDMSYQVWWII-OAHLLOKOSA-N 1 2 373.375 3.446 20 5 FGBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555315318 505405642 /nfs/dbraw/zinc/40/56/42/505405642.db2.gz CCFKDMSYQVWWII-OAHLLOKOSA-N 1 2 373.375 3.446 20 5 FGBDLO COc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000552424058 505489118 /nfs/dbraw/zinc/48/91/18/505489118.db2.gz GANGDRVPEQYBBJ-OAHLLOKOSA-N 1 2 350.415 3.003 20 5 FGBDLO COc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000552424058 505489121 /nfs/dbraw/zinc/48/91/21/505489121.db2.gz GANGDRVPEQYBBJ-OAHLLOKOSA-N 1 2 350.415 3.003 20 5 FGBDLO C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000552557284 505514358 /nfs/dbraw/zinc/51/43/58/505514358.db2.gz BNMBJBKTUYPPCD-CHWSQXEVSA-N 1 2 357.414 3.045 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000589105567 506441948 /nfs/dbraw/zinc/44/19/48/506441948.db2.gz PLLLEMYLGVVRCK-UHFFFAOYSA-N 1 2 364.352 3.376 20 5 FGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)nc1 ZINC000599443278 506458434 /nfs/dbraw/zinc/45/84/34/506458434.db2.gz LJJAOVSKLKRRPV-UHFFFAOYSA-N 1 2 373.409 3.196 20 5 FGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)nc1 ZINC000599443278 506458437 /nfs/dbraw/zinc/45/84/37/506458437.db2.gz LJJAOVSKLKRRPV-UHFFFAOYSA-N 1 2 373.409 3.196 20 5 FGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1SC ZINC000612346653 506537677 /nfs/dbraw/zinc/53/76/77/506537677.db2.gz LKAKAIDHWNCKTN-UHFFFAOYSA-N 1 2 362.411 3.039 20 5 FGBDLO O=C(C[NH2+]C1(c2c(F)cccc2F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599692868 506583927 /nfs/dbraw/zinc/58/39/27/506583927.db2.gz FAYTXUGMOZNDIQ-UHFFFAOYSA-N 1 2 361.348 3.481 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830556 506663486 /nfs/dbraw/zinc/66/34/86/506663486.db2.gz UMAPJAOOXOKFJD-UHFFFAOYSA-N 1 2 368.397 3.317 20 5 FGBDLO COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590053127 506717360 /nfs/dbraw/zinc/71/73/60/506717360.db2.gz LWKJEBKUKBKUST-PKOBYXMFSA-N 1 2 370.405 3.156 20 5 FGBDLO COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590053127 506717367 /nfs/dbraw/zinc/71/73/67/506717367.db2.gz LWKJEBKUKBKUST-PKOBYXMFSA-N 1 2 370.405 3.156 20 5 FGBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000599986983 506737244 /nfs/dbraw/zinc/73/72/44/506737244.db2.gz BTOXAXHLGOBUQB-IAGOWNOFSA-N 1 2 368.437 3.068 20 5 FGBDLO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000608972883 506755532 /nfs/dbraw/zinc/75/55/32/506755532.db2.gz KQHWOWGQCRPXSG-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590216001 506765686 /nfs/dbraw/zinc/76/56/86/506765686.db2.gz ICAYPGXCPHLHOY-GFCCVEGCSA-N 1 2 368.315 3.287 20 5 FGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609159007 506798071 /nfs/dbraw/zinc/79/80/71/506798071.db2.gz FKFMCFCWQYTION-UHFFFAOYSA-N 1 2 369.425 3.186 20 5 FGBDLO C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000590423319 506818350 /nfs/dbraw/zinc/81/83/50/506818350.db2.gz KRWXOMYPOOJNHI-GXFFZTMASA-N 1 2 370.331 3.242 20 5 FGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000604395790 506818781 /nfs/dbraw/zinc/81/87/81/506818781.db2.gz BGBISORMHOODAX-ZDUSSCGKSA-N 1 2 368.368 3.453 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597222264 506844360 /nfs/dbraw/zinc/84/43/60/506844360.db2.gz WNSCJRSIBDTMEV-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597222264 506844364 /nfs/dbraw/zinc/84/43/64/506844364.db2.gz WNSCJRSIBDTMEV-IBGZPJMESA-N 1 2 374.393 3.009 20 5 FGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000604484803 506845713 /nfs/dbraw/zinc/84/57/13/506845713.db2.gz QNDBWTZETHYBQH-UHFFFAOYSA-N 1 2 360.801 3.386 20 5 FGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000609441396 506881726 /nfs/dbraw/zinc/88/17/26/506881726.db2.gz LFRNOMKFEMRCHG-MRXNPFEDSA-N 1 2 372.331 3.126 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057262 506910230 /nfs/dbraw/zinc/91/02/30/506910230.db2.gz BQFGONAKGPQYME-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057262 506910233 /nfs/dbraw/zinc/91/02/33/506910233.db2.gz BQFGONAKGPQYME-HNNXBMFYSA-N 1 2 361.442 3.265 20 5 FGBDLO CC(C)[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000609894497 507041531 /nfs/dbraw/zinc/04/15/31/507041531.db2.gz WPLNVKPNVSLLIP-UHFFFAOYSA-N 1 2 374.466 3.389 20 5 FGBDLO CC(C)[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000609894497 507041537 /nfs/dbraw/zinc/04/15/37/507041537.db2.gz WPLNVKPNVSLLIP-UHFFFAOYSA-N 1 2 374.466 3.389 20 5 FGBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000609995130 507063930 /nfs/dbraw/zinc/06/39/30/507063930.db2.gz FRRGKCPYFITOFG-UHFFFAOYSA-N 1 2 359.451 3.177 20 5 FGBDLO CC(C)c1ccnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000613498187 507119037 /nfs/dbraw/zinc/11/90/37/507119037.db2.gz LWEJOIRCPAZHBD-OAHLLOKOSA-N 1 2 355.442 3.391 20 5 FGBDLO COC(=O)c1cc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600789868 507122450 /nfs/dbraw/zinc/12/24/50/507122450.db2.gz WOTBGAGXNNKGCR-MRXNPFEDSA-N 1 2 357.366 3.034 20 5 FGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCCC2 ZINC000594510917 507163492 /nfs/dbraw/zinc/16/34/92/507163492.db2.gz MNLNQYQPDIHQAV-CVEARBPZSA-N 1 2 357.414 3.122 20 5 FGBDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610276420 507173364 /nfs/dbraw/zinc/17/33/64/507173364.db2.gz VBSSYZKFPCKVOP-KRWDZBQOSA-N 1 2 364.409 3.398 20 5 FGBDLO CSc1cccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000597942027 507190572 /nfs/dbraw/zinc/19/05/72/507190572.db2.gz WFBHQCTVLWPLTN-UHFFFAOYSA-N 1 2 372.450 3.242 20 5 FGBDLO CSCC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000597982422 507206338 /nfs/dbraw/zinc/20/63/38/507206338.db2.gz KUQWSXLHJXJGFT-UHFFFAOYSA-N 1 2 360.439 3.044 20 5 FGBDLO CC(=O)Nc1cccc(N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000584299102 507266028 /nfs/dbraw/zinc/26/60/28/507266028.db2.gz YDYDDQBWQPDGPM-SFHVURJKSA-N 1 2 365.393 3.488 20 5 FGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](C)n4ncnc43)o2)c([N+](=O)[O-])c1 ZINC000594957976 507330773 /nfs/dbraw/zinc/33/07/73/507330773.db2.gz WNAOWCWDKSGJJZ-IAQYHMDHSA-N 1 2 369.381 3.251 20 5 FGBDLO C[C@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610786794 507389708 /nfs/dbraw/zinc/38/97/08/507389708.db2.gz VDIBCNBFBKQKSK-MRXNPFEDSA-N 1 2 370.327 3.317 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CC[C@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541984 507400926 /nfs/dbraw/zinc/40/09/26/507400926.db2.gz GQFUCVNHWWVPTR-AZUAARDMSA-N 1 2 369.396 3.271 20 5 FGBDLO O=C1[C@@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000584541984 507400934 /nfs/dbraw/zinc/40/09/34/507400934.db2.gz GQFUCVNHWWVPTR-AZUAARDMSA-N 1 2 369.396 3.271 20 5 FGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000595294030 507450435 /nfs/dbraw/zinc/45/04/35/507450435.db2.gz IBURQINUYFORMK-UHFFFAOYSA-N 1 2 350.781 3.105 20 5 FGBDLO Cc1c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000592141589 507502224 /nfs/dbraw/zinc/50/22/24/507502224.db2.gz LFXXPACYFLZADZ-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000592141589 507502233 /nfs/dbraw/zinc/50/22/33/507502233.db2.gz LFXXPACYFLZADZ-FQEVSTJZSA-N 1 2 365.433 3.109 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502886 507534002 /nfs/dbraw/zinc/53/40/02/507534002.db2.gz XDGBIQMOLOSWJJ-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502886 507534011 /nfs/dbraw/zinc/53/40/11/507534011.db2.gz XDGBIQMOLOSWJJ-OAHLLOKOSA-N 1 2 354.410 3.116 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627416 507599393 /nfs/dbraw/zinc/59/93/93/507599393.db2.gz YMXJRUGQRVRORW-KZULUSFZSA-N 1 2 358.398 3.207 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627416 507599402 /nfs/dbraw/zinc/59/94/02/507599402.db2.gz YMXJRUGQRVRORW-KZULUSFZSA-N 1 2 358.398 3.207 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccon4)CC3)n2)cc1 ZINC000595828171 507703027 /nfs/dbraw/zinc/70/30/27/507703027.db2.gz JNXMEVNPQOMMFN-UHFFFAOYSA-N 1 2 355.354 3.012 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(CNc3ccccc3C[NH+]3CCOCC3)nc2c1 ZINC000602490058 507724375 /nfs/dbraw/zinc/72/43/75/507724375.db2.gz CBLCQMRQUGZOET-UHFFFAOYSA-N 1 2 368.393 3.180 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084482062 700356901 /nfs/dbraw/zinc/35/69/01/700356901.db2.gz GHWPODQQDAYSAB-UHFFFAOYSA-N 1 2 359.304 3.125 20 5 FGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084482062 700356903 /nfs/dbraw/zinc/35/69/03/700356903.db2.gz GHWPODQQDAYSAB-UHFFFAOYSA-N 1 2 359.304 3.125 20 5 FGBDLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512453 700586093 /nfs/dbraw/zinc/58/60/93/700586093.db2.gz KIWUVFDAVRHFIW-AAEUAGOBSA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000115512453 700586094 /nfs/dbraw/zinc/58/60/94/700586094.db2.gz KIWUVFDAVRHFIW-AAEUAGOBSA-N 1 2 365.231 3.389 20 5 FGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136896281 704865619 /nfs/dbraw/zinc/86/56/19/704865619.db2.gz KWRYMMGAJYEYNA-INIZCTEOSA-N 1 2 365.773 3.322 20 5 FGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136896281 704865625 /nfs/dbraw/zinc/86/56/25/704865625.db2.gz KWRYMMGAJYEYNA-INIZCTEOSA-N 1 2 365.773 3.322 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(C(F)(F)F)CC3)n2)c1 ZINC000173419785 705458488 /nfs/dbraw/zinc/45/84/88/705458488.db2.gz WZJIMCOOTZXEDF-UHFFFAOYSA-N 1 2 355.320 3.085 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782476015 724673074 /nfs/dbraw/zinc/67/30/74/724673074.db2.gz RUKQDXDSKFMODG-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782476015 724673076 /nfs/dbraw/zinc/67/30/76/724673076.db2.gz RUKQDXDSKFMODG-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO COc1cc(CO[NH+]=C(N)Cc2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000783159193 724730755 /nfs/dbraw/zinc/73/07/55/724730755.db2.gz NPXSPAFGSCPTAX-UHFFFAOYSA-N 1 2 351.309 3.123 20 5 FGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000728419885 722451622 /nfs/dbraw/zinc/45/16/22/722451622.db2.gz ODDKBCMYUODGQU-UTCJRWHESA-N 1 2 357.435 3.014 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838018 722510425 /nfs/dbraw/zinc/51/04/25/722510425.db2.gz LISAKHYIYUZQRE-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838018 722510426 /nfs/dbraw/zinc/51/04/26/722510426.db2.gz LISAKHYIYUZQRE-HNNXBMFYSA-N 1 2 351.834 3.225 20 5 FGBDLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603419 722815943 /nfs/dbraw/zinc/81/59/43/722815943.db2.gz DKLFXFNUBMMEHR-WCQYABFASA-N 1 2 365.231 3.389 20 5 FGBDLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000751603419 722815947 /nfs/dbraw/zinc/81/59/47/722815947.db2.gz DKLFXFNUBMMEHR-WCQYABFASA-N 1 2 365.231 3.389 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000796294304 723630855 /nfs/dbraw/zinc/63/08/55/723630855.db2.gz JEKICBYTGGMEDK-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000796294304 723630857 /nfs/dbraw/zinc/63/08/57/723630857.db2.gz JEKICBYTGGMEDK-ZDUSSCGKSA-N 1 2 366.723 3.176 20 5 FGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922121 723723522 /nfs/dbraw/zinc/72/35/22/723723522.db2.gz YGNLYXGCYDMHTR-GFCCVEGCSA-N 1 2 357.391 3.467 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146718 723964069 /nfs/dbraw/zinc/96/40/69/723964069.db2.gz PZGRDTBYFKKCGW-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000775146718 723964070 /nfs/dbraw/zinc/96/40/70/723964070.db2.gz PZGRDTBYFKKCGW-GXFFZTMASA-N 1 2 352.740 3.383 20 5 FGBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789588847 725137656 /nfs/dbraw/zinc/13/76/56/725137656.db2.gz CPUUPJDKBGRMCF-UHFFFAOYSA-N 1 2 364.745 3.398 20 5 FGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)o1 ZINC000813173515 726846668 /nfs/dbraw/zinc/84/66/68/726846668.db2.gz DIWNPSGKCHVMCN-ZDUSSCGKSA-N 1 2 350.758 3.273 20 5 FGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)o1 ZINC000813173515 726846674 /nfs/dbraw/zinc/84/66/74/726846674.db2.gz DIWNPSGKCHVMCN-ZDUSSCGKSA-N 1 2 350.758 3.273 20 5 FGBDLO Cc1cc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000817123419 727222631 /nfs/dbraw/zinc/22/26/31/727222631.db2.gz KASSWAMAVAZNNP-UHFFFAOYSA-N 1 2 371.365 3.215 20 5 FGBDLO CC1(C)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000825331735 729379082 /nfs/dbraw/zinc/37/90/82/729379082.db2.gz MHRVBIPDECVNPY-SMDDNHRTSA-N 1 2 355.232 3.214 20 5 FGBDLO CC1(C)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000825331735 729379083 /nfs/dbraw/zinc/37/90/83/729379083.db2.gz MHRVBIPDECVNPY-SMDDNHRTSA-N 1 2 355.232 3.214 20 5 FGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000836784123 729969907 /nfs/dbraw/zinc/96/99/07/729969907.db2.gz BJKTYRVHMHVZAM-LBPRGKRZSA-N 1 2 362.817 3.310 20 5 FGBDLO O=C(C[N@@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000844439568 730718814 /nfs/dbraw/zinc/71/88/14/730718814.db2.gz OVEUWOQKBRLGNE-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO O=C(C[N@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000844439568 730718816 /nfs/dbraw/zinc/71/88/16/730718816.db2.gz OVEUWOQKBRLGNE-AWEZNQCLSA-N 1 2 359.760 3.308 20 5 FGBDLO COCc1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000883288091 737547644 /nfs/dbraw/zinc/54/76/44/737547644.db2.gz RBSLNFUVBXZJDE-UHFFFAOYSA-N 1 2 355.188 3.387 20 5 FGBDLO Cc1cc(Cl)c(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000857899280 732166803 /nfs/dbraw/zinc/16/68/03/732166803.db2.gz BAQSYNJQVWDUHT-SNVBAGLBSA-N 1 2 367.814 3.092 20 5 FGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000872017413 735576758 /nfs/dbraw/zinc/57/67/58/735576758.db2.gz AZKJUICLJFEKRL-LBPRGKRZSA-N 1 2 361.471 3.485 20 5 FGBDLO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(F)(F)c3ccc(F)cc3F)C2)c1 ZINC000877804883 736725284 /nfs/dbraw/zinc/72/52/84/736725284.db2.gz DRKRSFZPGUARRX-UHFFFAOYSA-N 1 2 358.295 3.155 20 5 FGBDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877831753 736733281 /nfs/dbraw/zinc/73/32/81/736733281.db2.gz YEZHWZLIPBCABG-SNVBAGLBSA-N 1 2 360.332 3.245 20 5 FGBDLO CC(C)(O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000879628215 737018869 /nfs/dbraw/zinc/01/88/69/737018869.db2.gz LRTZGEOIEKYSGD-UHFFFAOYSA-N 1 2 357.248 3.340 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100696 739330014 /nfs/dbraw/zinc/33/00/14/739330014.db2.gz MEFIYUVGHFLBDY-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100696 739330020 /nfs/dbraw/zinc/33/00/20/739330020.db2.gz MEFIYUVGHFLBDY-UHFFFAOYSA-N 1 2 357.357 3.052 20 5 FGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888284978 739496087 /nfs/dbraw/zinc/49/60/87/739496087.db2.gz QHPKKGIQJBPJEU-NSHDSACASA-N 1 2 363.805 3.312 20 5 FGBDLO Cc1[nH]c([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC000895194180 742386276 /nfs/dbraw/zinc/38/62/76/742386276.db2.gz XMJFTGXNGKGWJD-GFCCVEGCSA-N 1 2 366.219 3.434 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)o2)c(Cl)c1 ZINC000898192994 742755580 /nfs/dbraw/zinc/75/55/80/742755580.db2.gz NIBYFCUCSXZABO-HUUCEWRRSA-N 1 2 354.765 3.413 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)o2)c(Cl)c1 ZINC000898192994 742755584 /nfs/dbraw/zinc/75/55/84/742755584.db2.gz NIBYFCUCSXZABO-HUUCEWRRSA-N 1 2 354.765 3.413 20 5 FGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000898312571 742773682 /nfs/dbraw/zinc/77/36/82/742773682.db2.gz IPXLCFOZOHMLFV-UHFFFAOYSA-N 1 2 364.427 3.154 20 5 FGBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915669365 757964919 /nfs/dbraw/zinc/96/49/19/757964919.db2.gz FNNJRFZYSUBDJD-NSHDSACASA-N 1 2 360.801 3.439 20 5 FGBDLO CCn1c[nH+]c2c1CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000933255307 761346149 /nfs/dbraw/zinc/34/61/49/761346149.db2.gz IRFOXTFXWYKMJS-UHFFFAOYSA-N 1 2 354.332 3.388 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccnc3)n2)c1 ZINC000577015028 505646148 /nfs/dbraw/zinc/64/61/48/505646148.db2.gz WGPLYPHAOODWHC-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccnc3)n2)c1 ZINC000577015028 505646151 /nfs/dbraw/zinc/64/61/51/505646151.db2.gz WGPLYPHAOODWHC-INIZCTEOSA-N 1 2 351.366 3.377 20 5 FGBDLO CC[N@H+](CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000060063829 493912765 /nfs/dbraw/zinc/91/27/65/493912765.db2.gz GYLZUGGWVOXCSM-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO CC[N@@H+](CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000060063829 493912770 /nfs/dbraw/zinc/91/27/70/493912770.db2.gz GYLZUGGWVOXCSM-UHFFFAOYSA-N 1 2 357.410 3.250 20 5 FGBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000081931561 493968000 /nfs/dbraw/zinc/96/80/00/493968000.db2.gz QZGJDPFWLLBRIG-UHFFFAOYSA-N 1 2 364.405 3.354 20 5 FGBDLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000070794258 494058501 /nfs/dbraw/zinc/05/85/01/494058501.db2.gz ZKQHLUHFAHNNJQ-UHFFFAOYSA-N 1 2 352.394 3.075 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000574144175 505704269 /nfs/dbraw/zinc/70/42/69/505704269.db2.gz XHKVXNCCDPXXQB-SFHVURJKSA-N 1 2 368.441 3.060 20 5 FGBDLO Cc1cccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000078630312 494333606 /nfs/dbraw/zinc/33/36/06/494333606.db2.gz OYWZXBDUNBFXPU-SFHVURJKSA-N 1 2 356.426 3.092 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000078734650 494352410 /nfs/dbraw/zinc/35/24/10/494352410.db2.gz GMNAEUXEFXMUOT-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000066562967 494356126 /nfs/dbraw/zinc/35/61/26/494356126.db2.gz TXBMTJANWJRVLH-SNVBAGLBSA-N 1 2 368.846 3.472 20 5 FGBDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000066562967 494356129 /nfs/dbraw/zinc/35/61/29/494356129.db2.gz TXBMTJANWJRVLH-SNVBAGLBSA-N 1 2 368.846 3.472 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000044898053 494387479 /nfs/dbraw/zinc/38/74/79/494387479.db2.gz STHSQEGROFWEAR-UHFFFAOYSA-N 1 2 361.423 3.268 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000044898053 494387483 /nfs/dbraw/zinc/38/74/83/494387483.db2.gz STHSQEGROFWEAR-UHFFFAOYSA-N 1 2 361.423 3.268 20 5 FGBDLO O=C(C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000023617501 494573358 /nfs/dbraw/zinc/57/33/58/494573358.db2.gz JNBVPFMPPAIGTF-UHFFFAOYSA-N 1 2 372.400 3.249 20 5 FGBDLO CCOc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000056866908 494579033 /nfs/dbraw/zinc/57/90/33/494579033.db2.gz CGDSTDTUNFBKKX-UHFFFAOYSA-N 1 2 352.350 3.432 20 5 FGBDLO COc1ccc([C@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000074727586 494583262 /nfs/dbraw/zinc/58/32/62/494583262.db2.gz BMLOPCDUBAWSLR-KRWDZBQOSA-N 1 2 353.382 3.242 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000131338819 494588218 /nfs/dbraw/zinc/58/82/18/494588218.db2.gz VUESKBGQKYIMDT-UHFFFAOYSA-N 1 2 370.434 3.327 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000023992368 494592633 /nfs/dbraw/zinc/59/26/33/494592633.db2.gz SSKNEIFWGXUPPJ-LLVKDONJSA-N 1 2 356.304 3.419 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000023992368 494592641 /nfs/dbraw/zinc/59/26/41/494592641.db2.gz SSKNEIFWGXUPPJ-LLVKDONJSA-N 1 2 356.304 3.419 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131474588 494631865 /nfs/dbraw/zinc/63/18/65/494631865.db2.gz SROGRFXHXTZKSH-IBGZPJMESA-N 1 2 369.421 3.379 20 5 FGBDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131474588 494631869 /nfs/dbraw/zinc/63/18/69/494631869.db2.gz SROGRFXHXTZKSH-IBGZPJMESA-N 1 2 369.421 3.379 20 5 FGBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000091920700 494721323 /nfs/dbraw/zinc/72/13/23/494721323.db2.gz UVGCTWBMWXEVSN-RDJZCZTQSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000091920700 494721332 /nfs/dbraw/zinc/72/13/32/494721332.db2.gz UVGCTWBMWXEVSN-RDJZCZTQSA-N 1 2 362.451 3.289 20 5 FGBDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000025411408 494735519 /nfs/dbraw/zinc/73/55/19/494735519.db2.gz NDEMIFZLIUMFEV-INIZCTEOSA-N 1 2 368.437 3.052 20 5 FGBDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026190124 494807847 /nfs/dbraw/zinc/80/78/47/494807847.db2.gz YEFJSVUMBWERQS-CQSZACIVSA-N 1 2 357.410 3.371 20 5 FGBDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026190124 494807851 /nfs/dbraw/zinc/80/78/51/494807851.db2.gz YEFJSVUMBWERQS-CQSZACIVSA-N 1 2 357.410 3.371 20 5 FGBDLO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000121838241 494871455 /nfs/dbraw/zinc/87/14/55/494871455.db2.gz HNPJBKRVJBUHIO-VMPITWQZSA-N 1 2 365.433 3.374 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127058604 494886817 /nfs/dbraw/zinc/88/68/17/494886817.db2.gz JVJPAOJMKQUQFL-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127058604 494886820 /nfs/dbraw/zinc/88/68/20/494886820.db2.gz JVJPAOJMKQUQFL-UHFFFAOYSA-N 1 2 364.405 3.381 20 5 FGBDLO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000109627230 494898153 /nfs/dbraw/zinc/89/81/53/494898153.db2.gz TZLFUQZNYPKAJR-ZDUSSCGKSA-N 1 2 357.410 3.160 20 5 FGBDLO CS[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000117212808 494900171 /nfs/dbraw/zinc/90/01/71/494900171.db2.gz GLHNRTLNHQDBJH-KGLIPLIRSA-N 1 2 360.439 3.185 20 5 FGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000122368457 494964638 /nfs/dbraw/zinc/96/46/38/494964638.db2.gz GMYORSUDPBKYPX-INIZCTEOSA-N 1 2 353.382 3.096 20 5 FGBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000122633447 495007262 /nfs/dbraw/zinc/00/72/62/495007262.db2.gz XSQLFQAAEGKDTA-INIZCTEOSA-N 1 2 368.842 3.124 20 5 FGBDLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCO2)c1 ZINC000119035636 495076209 /nfs/dbraw/zinc/07/62/09/495076209.db2.gz BWRIAJFCQADWTL-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCO2)c1 ZINC000119035636 495076213 /nfs/dbraw/zinc/07/62/13/495076213.db2.gz BWRIAJFCQADWTL-IBGZPJMESA-N 1 2 358.394 3.186 20 5 FGBDLO CCc1nc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000128468676 495101740 /nfs/dbraw/zinc/10/17/40/495101740.db2.gz DUOPUUMPHYLEQK-AWEZNQCLSA-N 1 2 360.483 3.493 20 5 FGBDLO COc1cccc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119210360 495117767 /nfs/dbraw/zinc/11/77/67/495117767.db2.gz CQEMWUGNKKNHKK-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO COc1cccc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119210360 495117773 /nfs/dbraw/zinc/11/77/73/495117773.db2.gz CQEMWUGNKKNHKK-LJQANCHMSA-N 1 2 358.394 3.056 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128625540 495126041 /nfs/dbraw/zinc/12/60/41/495126041.db2.gz NMDOVVDHAYMOLY-CQSZACIVSA-N 1 2 359.451 3.484 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000128908608 495166833 /nfs/dbraw/zinc/16/68/33/495166833.db2.gz NLHXLXUIGJBGHV-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)nc1 ZINC000128908608 495166836 /nfs/dbraw/zinc/16/68/36/495166836.db2.gz NLHXLXUIGJBGHV-NSHDSACASA-N 1 2 352.316 3.094 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135223757 495264839 /nfs/dbraw/zinc/26/48/39/495264839.db2.gz FUZPJXQNINIYNK-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135223757 495264841 /nfs/dbraw/zinc/26/48/41/495264841.db2.gz FUZPJXQNINIYNK-AWEZNQCLSA-N 1 2 357.454 3.349 20 5 FGBDLO CC(C)Oc1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124623019 495318126 /nfs/dbraw/zinc/31/81/26/495318126.db2.gz HSJPCTMLILFUJM-UHFFFAOYSA-N 1 2 367.365 3.215 20 5 FGBDLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000115560354 495517700 /nfs/dbraw/zinc/51/77/00/495517700.db2.gz BZPKKNRTIDDGCT-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000115560354 495517701 /nfs/dbraw/zinc/51/77/01/495517701.db2.gz BZPKKNRTIDDGCT-KRWDZBQOSA-N 1 2 357.435 3.323 20 5 FGBDLO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)c1cccs1 ZINC000143646247 495536601 /nfs/dbraw/zinc/53/66/01/495536601.db2.gz YIXDWLWMUJSLGB-UHFFFAOYSA-N 1 2 363.414 3.190 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc(N2CCOCC2)s1)C1CC1 ZINC000154304136 495575400 /nfs/dbraw/zinc/57/54/00/495575400.db2.gz CBFWSOOREFWMMA-UHFFFAOYSA-N 1 2 374.466 3.053 20 5 FGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc(N2CCOCC2)s1)C1CC1 ZINC000154304136 495575406 /nfs/dbraw/zinc/57/54/06/495575406.db2.gz CBFWSOOREFWMMA-UHFFFAOYSA-N 1 2 374.466 3.053 20 5 FGBDLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799341 495698087 /nfs/dbraw/zinc/69/80/87/495698087.db2.gz QAZJVRBQOBJXFP-IBGZPJMESA-N 1 2 370.405 3.352 20 5 FGBDLO Cc1ccc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000182864325 495732299 /nfs/dbraw/zinc/73/22/99/495732299.db2.gz YQKNNGAPCOERRP-UHFFFAOYSA-N 1 2 357.414 3.350 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)nc2c1 ZINC000159497352 495745582 /nfs/dbraw/zinc/74/55/82/495745582.db2.gz SBRDZAQNFOKANK-HXUWFJFHSA-N 1 2 365.389 3.410 20 5 FGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)nc2c1 ZINC000159497352 495745589 /nfs/dbraw/zinc/74/55/89/495745589.db2.gz SBRDZAQNFOKANK-HXUWFJFHSA-N 1 2 365.389 3.410 20 5 FGBDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000159850667 495823731 /nfs/dbraw/zinc/82/37/31/495823731.db2.gz OPVXKWFLZDTDNI-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000159850667 495823736 /nfs/dbraw/zinc/82/37/36/495823736.db2.gz OPVXKWFLZDTDNI-UHFFFAOYSA-N 1 2 367.409 3.343 20 5 FGBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000155474632 495967718 /nfs/dbraw/zinc/96/77/18/495967718.db2.gz VOIKJMLBYZVJAW-GFCCVEGCSA-N 1 2 360.801 3.042 20 5 FGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174466068 495972074 /nfs/dbraw/zinc/97/20/74/495972074.db2.gz MTVDLAOAMWZVHV-UHFFFAOYSA-N 1 2 351.794 3.422 20 5 FGBDLO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183416564 495974211 /nfs/dbraw/zinc/97/42/11/495974211.db2.gz PMVRDCQORZRRPB-UHFFFAOYSA-N 1 2 373.409 3.273 20 5 FGBDLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180453919 496002161 /nfs/dbraw/zinc/00/21/61/496002161.db2.gz ZFBDCMHRJXBGKZ-CQSZACIVSA-N 1 2 352.398 3.038 20 5 FGBDLO C[C@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177375080 496036232 /nfs/dbraw/zinc/03/62/32/496036232.db2.gz DFWMZZKNLPRJIB-MRXNPFEDSA-N 1 2 367.327 3.104 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186692618 496110181 /nfs/dbraw/zinc/11/01/81/496110181.db2.gz WXZFBUKYQAIMPF-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186692618 496110187 /nfs/dbraw/zinc/11/01/87/496110187.db2.gz WXZFBUKYQAIMPF-JLTOFOAXSA-N 1 2 367.405 3.053 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156139178 496168700 /nfs/dbraw/zinc/16/87/00/496168700.db2.gz JLRXADULYRIWFP-UHFFFAOYSA-N 1 2 367.365 3.111 20 5 FGBDLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183954958 496175226 /nfs/dbraw/zinc/17/52/26/496175226.db2.gz VPENLULPHKCTFN-CYBMUJFWSA-N 1 2 368.368 3.340 20 5 FGBDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000177781079 496192417 /nfs/dbraw/zinc/19/24/17/496192417.db2.gz KNTHAQJKSZGOJI-JKIFEVAISA-N 1 2 357.414 3.145 20 5 FGBDLO Cc1ccc([C@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000177966706 496270219 /nfs/dbraw/zinc/27/02/19/496270219.db2.gz AHASDOVKCSPHFR-ZDUSSCGKSA-N 1 2 353.382 3.111 20 5 FGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000162055148 496288635 /nfs/dbraw/zinc/28/86/35/496288635.db2.gz NXRHMLRFSJHVBJ-UHFFFAOYSA-N 1 2 360.345 3.430 20 5 FGBDLO COc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000184231630 496296765 /nfs/dbraw/zinc/29/67/65/496296765.db2.gz DDUBRFNLCKTCBW-VWLOTQADSA-N 1 2 366.414 3.112 20 5 FGBDLO COc1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000184231630 496296771 /nfs/dbraw/zinc/29/67/71/496296771.db2.gz DDUBRFNLCKTCBW-VWLOTQADSA-N 1 2 366.414 3.112 20 5 FGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184240205 496299478 /nfs/dbraw/zinc/29/94/78/496299478.db2.gz ONKWNRMGNHFHAS-UHFFFAOYSA-N 1 2 362.357 3.161 20 5 FGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184240205 496299482 /nfs/dbraw/zinc/29/94/82/496299482.db2.gz ONKWNRMGNHFHAS-UHFFFAOYSA-N 1 2 362.357 3.161 20 5 FGBDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153063088 496340721 /nfs/dbraw/zinc/34/07/21/496340721.db2.gz GIKJITGMJNLQMP-UHFFFAOYSA-N 1 2 367.405 3.184 20 5 FGBDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153063088 496340730 /nfs/dbraw/zinc/34/07/30/496340730.db2.gz GIKJITGMJNLQMP-UHFFFAOYSA-N 1 2 367.405 3.184 20 5 FGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153154721 496369366 /nfs/dbraw/zinc/36/93/66/496369366.db2.gz ASKRLOHSOVDIBW-OAHLLOKOSA-N 1 2 353.422 3.173 20 5 FGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153154721 496369372 /nfs/dbraw/zinc/36/93/72/496369372.db2.gz ASKRLOHSOVDIBW-OAHLLOKOSA-N 1 2 353.422 3.173 20 5 FGBDLO Cn1ncc(Cl)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187365719 496412458 /nfs/dbraw/zinc/41/24/58/496412458.db2.gz GIAJYQGTQKRXJA-UHFFFAOYSA-N 1 2 350.806 3.025 20 5 FGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000172865180 496466174 /nfs/dbraw/zinc/46/61/74/496466174.db2.gz UMJAFYMBTQMTAC-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000172865180 496466176 /nfs/dbraw/zinc/46/61/76/496466176.db2.gz UMJAFYMBTQMTAC-GHMZBOCLSA-N 1 2 370.247 3.416 20 5 FGBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000153562919 496499136 /nfs/dbraw/zinc/49/91/36/496499136.db2.gz OZEXEKHLXMHUAR-INIZCTEOSA-N 1 2 362.817 3.129 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000153636116 496527703 /nfs/dbraw/zinc/52/77/03/496527703.db2.gz GAPOCEMHPNIISJ-KGLIPLIRSA-N 1 2 371.315 3.137 20 5 FGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)co2)cc1 ZINC000153636116 496527708 /nfs/dbraw/zinc/52/77/08/496527708.db2.gz GAPOCEMHPNIISJ-KGLIPLIRSA-N 1 2 371.315 3.137 20 5 FGBDLO Cc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000167547065 496702614 /nfs/dbraw/zinc/70/26/14/496702614.db2.gz ZFJJUDMONUKSQQ-AWEZNQCLSA-N 1 2 354.410 3.366 20 5 FGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000182198329 496704451 /nfs/dbraw/zinc/70/44/51/496704451.db2.gz DFDOCSYXWGDIDF-OAHLLOKOSA-N 1 2 372.377 3.223 20 5 FGBDLO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185275587 496722556 /nfs/dbraw/zinc/72/25/56/496722556.db2.gz HOMKQUVEIFWAJW-BLLLJJGKSA-N 1 2 360.414 3.410 20 5 FGBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000273201183 496738434 /nfs/dbraw/zinc/73/84/34/496738434.db2.gz RHEMGAGFCSNGGC-VIFPVBQESA-N 1 2 357.292 3.020 20 5 FGBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC000264124111 496817820 /nfs/dbraw/zinc/81/78/20/496817820.db2.gz VYDIWWLJCWYJOY-UHFFFAOYSA-N 1 2 372.347 3.255 20 5 FGBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC000264124111 496817825 /nfs/dbraw/zinc/81/78/25/496817825.db2.gz VYDIWWLJCWYJOY-UHFFFAOYSA-N 1 2 372.347 3.255 20 5 FGBDLO CC(C)OCCCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000273873543 496940417 /nfs/dbraw/zinc/94/04/17/496940417.db2.gz MDULKULVKASTEW-UHFFFAOYSA-N 1 2 357.370 3.188 20 5 FGBDLO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000273915262 496956458 /nfs/dbraw/zinc/95/64/58/496956458.db2.gz ATMYKCCTZVLWOG-GFCCVEGCSA-N 1 2 360.439 3.356 20 5 FGBDLO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273974246 496978731 /nfs/dbraw/zinc/97/87/31/496978731.db2.gz SDPCWQIEPSSAJJ-UHFFFAOYSA-N 1 2 360.389 3.141 20 5 FGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000192253192 497049302 /nfs/dbraw/zinc/04/93/02/497049302.db2.gz WCFXIGPEJPKRSH-UHFFFAOYSA-N 1 2 369.425 3.387 20 5 FGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000278307662 497068647 /nfs/dbraw/zinc/06/86/47/497068647.db2.gz HABLTMKJGLYRGT-UHFFFAOYSA-N 1 2 369.347 3.428 20 5 FGBDLO COc1cc(C[NH2+]Cc2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1O ZINC000237236765 497207507 /nfs/dbraw/zinc/20/75/07/497207507.db2.gz MVCCNPVOAYSZBP-UHFFFAOYSA-N 1 2 355.350 3.254 20 5 FGBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000252736332 497319834 /nfs/dbraw/zinc/31/98/34/497319834.db2.gz UMKOLWIEZUJVIR-DOTOQJQBSA-N 1 2 361.348 3.048 20 5 FGBDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000252736332 497319836 /nfs/dbraw/zinc/31/98/36/497319836.db2.gz UMKOLWIEZUJVIR-DOTOQJQBSA-N 1 2 361.348 3.048 20 5 FGBDLO COc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000578269685 505901134 /nfs/dbraw/zinc/90/11/34/505901134.db2.gz XNJKGQUITUJUAV-UHFFFAOYSA-N 1 2 373.287 3.257 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279199146 497364722 /nfs/dbraw/zinc/36/47/22/497364722.db2.gz MLXJWIVTAVFCAP-GOSISDBHSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1nn(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1Br ZINC000279224343 497372790 /nfs/dbraw/zinc/37/27/90/497372790.db2.gz XSUIMXJPPXLHCF-UHFFFAOYSA-N 1 2 373.638 3.342 20 5 FGBDLO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cc1[N+](=O)[O-] ZINC000279231492 497374948 /nfs/dbraw/zinc/37/49/48/497374948.db2.gz QHOCWPMSEWYWGQ-QGZVFWFLSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1c(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000279243667 497379377 /nfs/dbraw/zinc/37/93/77/497379377.db2.gz SAPMRQKSNKEONA-SFHVURJKSA-N 1 2 368.437 3.493 20 5 FGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193458850 497385445 /nfs/dbraw/zinc/38/54/45/497385445.db2.gz MLNVCVISXVEKQL-UHFFFAOYSA-N 1 2 354.410 3.219 20 5 FGBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000279296362 497397260 /nfs/dbraw/zinc/39/72/60/497397260.db2.gz ZIDHTCHERXHFFC-GOSISDBHSA-N 1 2 368.437 3.113 20 5 FGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000193652417 497436848 /nfs/dbraw/zinc/43/68/48/497436848.db2.gz RMWUUHATNFBMLZ-UHFFFAOYSA-N 1 2 357.414 3.466 20 5 FGBDLO CCc1cc(N[C@@H](C)CC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266885453 497438714 /nfs/dbraw/zinc/43/87/14/497438714.db2.gz YYBKYSIEYUPEIZ-VDBVYFBLSA-N 1 2 362.455 3.183 20 5 FGBDLO CC(C)c1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000572205795 505914202 /nfs/dbraw/zinc/91/42/02/505914202.db2.gz ZMZRFUPCNVBPGJ-UHFFFAOYSA-N 1 2 369.412 3.425 20 5 FGBDLO COc1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000190671891 497566307 /nfs/dbraw/zinc/56/63/07/497566307.db2.gz KBBZYUPAYPDLOG-AWEZNQCLSA-N 1 2 371.393 3.010 20 5 FGBDLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581136198 505918193 /nfs/dbraw/zinc/91/81/93/505918193.db2.gz SXDRVGXWEKLGHP-LLVKDONJSA-N 1 2 366.311 3.478 20 5 FGBDLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581136198 505918196 /nfs/dbraw/zinc/91/81/96/505918196.db2.gz SXDRVGXWEKLGHP-LLVKDONJSA-N 1 2 366.311 3.478 20 5 FGBDLO CN(C)c1cccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272549649 497658489 /nfs/dbraw/zinc/65/84/89/497658489.db2.gz RBIJZHYXQYWORW-LJQANCHMSA-N 1 2 365.437 3.274 20 5 FGBDLO CCOc1cc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000276876656 497676357 /nfs/dbraw/zinc/67/63/57/497676357.db2.gz IHSKTPPHNQYRSL-UHFFFAOYSA-N 1 2 372.347 3.384 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280504512 497775152 /nfs/dbraw/zinc/77/51/52/497775152.db2.gz RAAKTMSBFRSYNG-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC000280504512 497775157 /nfs/dbraw/zinc/77/51/57/497775157.db2.gz RAAKTMSBFRSYNG-AWEZNQCLSA-N 1 2 361.423 3.483 20 5 FGBDLO CCC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000280654095 497844838 /nfs/dbraw/zinc/84/48/38/497844838.db2.gz FUFJQPFOMLARHL-OAHLLOKOSA-N 1 2 368.437 3.466 20 5 FGBDLO Nc1ccc(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)cc1[N+](=O)[O-] ZINC000364234018 497851982 /nfs/dbraw/zinc/85/19/82/497851982.db2.gz IYRWDSUWOAIBKY-ZDUSSCGKSA-N 1 2 366.381 3.006 20 5 FGBDLO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280711654 497867505 /nfs/dbraw/zinc/86/75/05/497867505.db2.gz GNDUBZSVGDXHFO-UHFFFAOYSA-N 1 2 369.421 3.216 20 5 FGBDLO Cn1nccc1C1=CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000289330966 498108457 /nfs/dbraw/zinc/10/84/57/498108457.db2.gz GUJCIPIROPINHU-UHFFFAOYSA-N 1 2 364.352 3.219 20 5 FGBDLO Cn1nccc1C1=CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000289330966 498108461 /nfs/dbraw/zinc/10/84/61/498108461.db2.gz GUJCIPIROPINHU-UHFFFAOYSA-N 1 2 364.352 3.219 20 5 FGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364746083 498126286 /nfs/dbraw/zinc/12/62/86/498126286.db2.gz KUQJHMSOBWHXLJ-NSHDSACASA-N 1 2 365.187 3.058 20 5 FGBDLO CSc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000578658699 505991500 /nfs/dbraw/zinc/99/15/00/505991500.db2.gz JEBPLKDGGZJKHE-UHFFFAOYSA-N 1 2 369.406 3.209 20 5 FGBDLO C[C@H]1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCO1 ZINC000351092040 498177659 /nfs/dbraw/zinc/17/76/59/498177659.db2.gz DNGBBXRCTGLKMM-NWDGAFQWSA-N 1 2 355.354 3.113 20 5 FGBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285754366 498191264 /nfs/dbraw/zinc/19/12/64/498191264.db2.gz RBTHXNZASZBDBW-QWRGUYRKSA-N 1 2 364.352 3.254 20 5 FGBDLO Cc1nc(NCc2cn3cc(Br)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301629394 498196984 /nfs/dbraw/zinc/19/69/84/498196984.db2.gz ILRZRLHIGQTQTG-UHFFFAOYSA-N 1 2 362.187 3.321 20 5 FGBDLO O=[N+]([O-])c1cccc2c1CCN(c1[nH+]cnc3c1cnn3-c1ccccc1)C2 ZINC000301813059 498275638 /nfs/dbraw/zinc/27/56/38/498275638.db2.gz FNXRQYYVGKNUOH-UHFFFAOYSA-N 1 2 372.388 3.286 20 5 FGBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293292504 498334794 /nfs/dbraw/zinc/33/47/94/498334794.db2.gz DIVMBQGROWDUKS-JTQLQIEISA-N 1 2 366.805 3.258 20 5 FGBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293292504 498334803 /nfs/dbraw/zinc/33/48/03/498334803.db2.gz DIVMBQGROWDUKS-JTQLQIEISA-N 1 2 366.805 3.258 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000302092670 498402675 /nfs/dbraw/zinc/40/26/75/498402675.db2.gz MSIBUBFKLZKVOR-UHFFFAOYSA-N 1 2 370.340 3.318 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000365321022 498404829 /nfs/dbraw/zinc/40/48/29/498404829.db2.gz QIPWLVOQKVGSPM-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000365321022 498404834 /nfs/dbraw/zinc/40/48/34/498404834.db2.gz QIPWLVOQKVGSPM-UHFFFAOYSA-N 1 2 363.801 3.189 20 5 FGBDLO CC(C)c1nc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000302202506 498440199 /nfs/dbraw/zinc/44/01/99/498440199.db2.gz IJEGVABGIACUGI-UHFFFAOYSA-N 1 2 350.810 3.235 20 5 FGBDLO CC(C)c1nc(NCc2ccc([N+](=O)[O-])cc2Cl)nc(N(C)C)[nH+]1 ZINC000302202506 498440202 /nfs/dbraw/zinc/44/02/02/498440202.db2.gz IJEGVABGIACUGI-UHFFFAOYSA-N 1 2 350.810 3.235 20 5 FGBDLO CC[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000365407707 498452460 /nfs/dbraw/zinc/45/24/60/498452460.db2.gz GHJCPCDSBCJFNO-KRWDZBQOSA-N 1 2 371.441 3.420 20 5 FGBDLO CC[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000365407710 498452531 /nfs/dbraw/zinc/45/25/31/498452531.db2.gz GHJCPCDSBCJFNO-QGZVFWFLSA-N 1 2 371.441 3.420 20 5 FGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000365542805 498522962 /nfs/dbraw/zinc/52/29/62/498522962.db2.gz BITPFWDNJCGYHS-UHFFFAOYSA-N 1 2 367.331 3.120 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282494179 498534388 /nfs/dbraw/zinc/53/43/88/498534388.db2.gz QDSFDLRMBHDPMW-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282494179 498534394 /nfs/dbraw/zinc/53/43/94/498534394.db2.gz QDSFDLRMBHDPMW-LBPRGKRZSA-N 1 2 350.444 3.466 20 5 FGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362704616 498542061 /nfs/dbraw/zinc/54/20/61/498542061.db2.gz URRUZPKCWVSCHY-GFCCVEGCSA-N 1 2 360.439 3.450 20 5 FGBDLO Cc1c(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000332562240 498726031 /nfs/dbraw/zinc/72/60/31/498726031.db2.gz RDUNZQFCVLXIMG-UHFFFAOYSA-N 1 2 371.441 3.028 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000363608772 498902116 /nfs/dbraw/zinc/90/21/16/498902116.db2.gz JNSVHXPZRBMAJH-CYBMUJFWSA-N 1 2 357.414 3.277 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363608772 498902123 /nfs/dbraw/zinc/90/21/23/498902123.db2.gz JNSVHXPZRBMAJH-CYBMUJFWSA-N 1 2 357.414 3.277 20 5 FGBDLO CNC(=O)c1ccc(N2CCC(c3ccc(C)[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000363668634 498934866 /nfs/dbraw/zinc/93/48/66/498934866.db2.gz AKNJONWCOBBDOD-UHFFFAOYSA-N 1 2 354.410 3.042 20 5 FGBDLO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC[NH+](CC(F)F)CC1 ZINC000288139259 498951764 /nfs/dbraw/zinc/95/17/64/498951764.db2.gz ZPGWPKJWRITRCE-UHFFFAOYSA-N 1 2 364.352 3.059 20 5 FGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363838054 499020137 /nfs/dbraw/zinc/02/01/37/499020137.db2.gz RRSICUQHFZMPEK-INIZCTEOSA-N 1 2 370.453 3.055 20 5 FGBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000295625942 499065825 /nfs/dbraw/zinc/06/58/25/499065825.db2.gz AODNTRXSMGSJHQ-NSHDSACASA-N 1 2 366.219 3.073 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366775404 499069068 /nfs/dbraw/zinc/06/90/68/499069068.db2.gz VJZLHJIIYAAZMZ-ZDUSSCGKSA-N 1 2 374.466 3.267 20 5 FGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364046969 499098391 /nfs/dbraw/zinc/09/83/91/499098391.db2.gz HNXOIQTYIRHLOU-HZPDHXFCSA-N 1 2 356.426 3.293 20 5 FGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366903202 499110711 /nfs/dbraw/zinc/11/07/11/499110711.db2.gz NJUMKFGAINHBSQ-ZDUSSCGKSA-N 1 2 373.413 3.198 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)CCC2 ZINC000372742428 499168809 /nfs/dbraw/zinc/16/88/09/499168809.db2.gz PQUHSTGVDHKXGK-JTQLQIEISA-N 1 2 366.219 3.247 20 5 FGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000368166471 499270871 /nfs/dbraw/zinc/27/08/71/499270871.db2.gz YICXDKILKKHWAI-CYBMUJFWSA-N 1 2 374.416 3.210 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccnc(Cl)c3Cl)C2)c1 ZINC000368225031 499275772 /nfs/dbraw/zinc/27/57/72/499275772.db2.gz GEKDHWVAUWWMPR-NSHDSACASA-N 1 2 356.213 3.330 20 5 FGBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)c1 ZINC000368225031 499275773 /nfs/dbraw/zinc/27/57/73/499275773.db2.gz GEKDHWVAUWWMPR-NSHDSACASA-N 1 2 356.213 3.330 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000368807668 499334882 /nfs/dbraw/zinc/33/48/82/499334882.db2.gz SRJDYAZNTWVDEQ-GOEBONIOSA-N 1 2 358.398 3.126 20 5 FGBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000368807668 499334883 /nfs/dbraw/zinc/33/48/83/499334883.db2.gz SRJDYAZNTWVDEQ-GOEBONIOSA-N 1 2 358.398 3.126 20 5 FGBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020546 499390626 /nfs/dbraw/zinc/39/06/26/499390626.db2.gz MEBJNWGQLUICAU-SUMWQHHRSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372020546 499390627 /nfs/dbraw/zinc/39/06/27/499390627.db2.gz MEBJNWGQLUICAU-SUMWQHHRSA-N 1 2 370.409 3.020 20 5 FGBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372334151 499421832 /nfs/dbraw/zinc/42/18/32/499421832.db2.gz ZFIVAIKLUWZOLJ-CQSZACIVSA-N 1 2 358.398 3.098 20 5 FGBDLO CCO[C@H](C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000369681127 499435883 /nfs/dbraw/zinc/43/58/83/499435883.db2.gz IHDYNULDHLUEIY-GFCCVEGCSA-N 1 2 365.459 3.182 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000375770724 499554036 /nfs/dbraw/zinc/55/40/36/499554036.db2.gz IXYIAPIOMQVPLV-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000375770724 499554037 /nfs/dbraw/zinc/55/40/37/499554037.db2.gz IXYIAPIOMQVPLV-MRXNPFEDSA-N 1 2 373.413 3.150 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@H]3c3ccco3)o2)c1 ZINC000375797128 499556579 /nfs/dbraw/zinc/55/65/79/499556579.db2.gz UCNDLLAYRDTWJB-INIZCTEOSA-N 1 2 369.377 3.459 20 5 FGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@H]3c3ccco3)o2)c1 ZINC000375797128 499556581 /nfs/dbraw/zinc/55/65/81/499556581.db2.gz UCNDLLAYRDTWJB-INIZCTEOSA-N 1 2 369.377 3.459 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376556142 499618387 /nfs/dbraw/zinc/61/83/87/499618387.db2.gz YBVBKDFUACECLM-DYVFJYSZSA-N 1 2 370.409 3.020 20 5 FGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376556142 499618388 /nfs/dbraw/zinc/61/83/88/499618388.db2.gz YBVBKDFUACECLM-DYVFJYSZSA-N 1 2 370.409 3.020 20 5 FGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000410850313 499682253 /nfs/dbraw/zinc/68/22/53/499682253.db2.gz CFUHIJFNQFPZFB-ZDUSSCGKSA-N 1 2 368.315 3.228 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377817532 499738149 /nfs/dbraw/zinc/73/81/49/499738149.db2.gz UUWKGMMSLFARCS-SECBINFHSA-N 1 2 369.303 3.016 20 5 FGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377817532 499738151 /nfs/dbraw/zinc/73/81/51/499738151.db2.gz UUWKGMMSLFARCS-SECBINFHSA-N 1 2 369.303 3.016 20 5 FGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCC2 ZINC000377821462 499738948 /nfs/dbraw/zinc/73/89/48/499738948.db2.gz OLGCZGZGONYPEW-NSHDSACASA-N 1 2 363.805 3.452 20 5 FGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2C)c([N+](=O)[O-])c1 ZINC000414458847 499794847 /nfs/dbraw/zinc/79/48/47/499794847.db2.gz LISWLFJCDKRCOF-UHFFFAOYSA-N 1 2 363.439 3.074 20 5 FGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000411967098 499807210 /nfs/dbraw/zinc/80/72/10/499807210.db2.gz DAHQQXRGDXGBOO-AWEZNQCLSA-N 1 2 358.398 3.125 20 5 FGBDLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000412023340 499813792 /nfs/dbraw/zinc/81/37/92/499813792.db2.gz CDSZYJIZRBCXJA-CYBMUJFWSA-N 1 2 361.398 3.354 20 5 FGBDLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000412023340 499813794 /nfs/dbraw/zinc/81/37/94/499813794.db2.gz CDSZYJIZRBCXJA-CYBMUJFWSA-N 1 2 361.398 3.354 20 5 FGBDLO CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000570405648 506160946 /nfs/dbraw/zinc/16/09/46/506160946.db2.gz LLHZUSVMFQSYDK-GFCCVEGCSA-N 1 2 354.313 3.046 20 5 FGBDLO COC(=O)COc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1[N+](=O)[O-] ZINC000414850878 499838076 /nfs/dbraw/zinc/83/80/76/499838076.db2.gz NKCHFYKALSDQCT-UHFFFAOYSA-N 1 2 371.393 3.117 20 5 FGBDLO Cc1cc(N2CCCc3c(cnn3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413469234 499965807 /nfs/dbraw/zinc/96/58/07/499965807.db2.gz AUWOPJUDGNEEBF-UHFFFAOYSA-N 1 2 364.409 3.047 20 5 FGBDLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000428970512 499971075 /nfs/dbraw/zinc/97/10/75/499971075.db2.gz YMVOHKZSAFPUGJ-ZDUSSCGKSA-N 1 2 357.414 3.030 20 5 FGBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000413535029 499983338 /nfs/dbraw/zinc/98/33/38/499983338.db2.gz POHCYWYYFDQIBO-LBPRGKRZSA-N 1 2 361.364 3.427 20 5 FGBDLO Cc1cc(NCc2nnc(C3CC3)s2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413582735 499997191 /nfs/dbraw/zinc/99/71/91/499997191.db2.gz OGOVKZGDHMFUPN-UHFFFAOYSA-N 1 2 368.422 3.123 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000421264974 500006275 /nfs/dbraw/zinc/00/62/75/500006275.db2.gz QPKKJJJPGASQLV-XJKSGUPXSA-N 1 2 358.398 3.187 20 5 FGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000421264974 500006276 /nfs/dbraw/zinc/00/62/76/500006276.db2.gz QPKKJJJPGASQLV-XJKSGUPXSA-N 1 2 358.398 3.187 20 5 FGBDLO Cc1cc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421575191 500085218 /nfs/dbraw/zinc/08/52/18/500085218.db2.gz JDIUFQHTARYJAK-UHFFFAOYSA-N 1 2 363.801 3.345 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1COCc2ccccc21 ZINC000418985716 500334088 /nfs/dbraw/zinc/33/40/88/500334088.db2.gz FWGWOZIWTRTEQF-LJQANCHMSA-N 1 2 369.421 3.110 20 5 FGBDLO Cc1cc(N2CCC[C@H](CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420647430 500482990 /nfs/dbraw/zinc/48/29/90/500482990.db2.gz XSBGRSLQVYRMLR-HNNXBMFYSA-N 1 2 356.426 3.349 20 5 FGBDLO O=C(NCc1[nH]cc[nH+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442741072 500618272 /nfs/dbraw/zinc/61/82/72/500618272.db2.gz WLJNPZWYUNLHEY-UHFFFAOYSA-N 1 2 354.391 3.399 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@H]3CCCO[C@@H]3c3ccccc3)[nH]c2c1 ZINC000447675487 500643622 /nfs/dbraw/zinc/64/36/22/500643622.db2.gz BBWNZFIXDPGPJP-RDTXWAMCSA-N 1 2 352.394 3.473 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000447811349 500667453 /nfs/dbraw/zinc/66/74/53/500667453.db2.gz DXABXDHOJUWDSZ-AWEZNQCLSA-N 1 2 373.375 3.206 20 5 FGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](CC(F)(F)F)C1 ZINC000447811350 500667528 /nfs/dbraw/zinc/66/75/28/500667528.db2.gz DXABXDHOJUWDSZ-CQSZACIVSA-N 1 2 373.375 3.206 20 5 FGBDLO CCOc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000433792938 500745299 /nfs/dbraw/zinc/74/52/99/500745299.db2.gz PUUDJQZQRUBRLM-UHFFFAOYSA-N 1 2 358.320 3.389 20 5 FGBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448697685 500806876 /nfs/dbraw/zinc/80/68/76/500806876.db2.gz MWOIKTYYSFWMHQ-UHFFFAOYSA-N 1 2 368.315 3.005 20 5 FGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1OCCc2ccccc21 ZINC000444614522 500867004 /nfs/dbraw/zinc/86/70/04/500867004.db2.gz YUMKORCTHDBBKA-GOSISDBHSA-N 1 2 352.394 3.217 20 5 FGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1OCCc2ccccc21 ZINC000444614522 500867006 /nfs/dbraw/zinc/86/70/06/500867006.db2.gz YUMKORCTHDBBKA-GOSISDBHSA-N 1 2 352.394 3.217 20 5 FGBDLO COC(=O)c1ccc(OCc2c[nH+]cn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000445600701 501008238 /nfs/dbraw/zinc/00/82/38/501008238.db2.gz NLRDLXYXUBDWQH-UHFFFAOYSA-N 1 2 367.361 3.205 20 5 FGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000440509630 501018094 /nfs/dbraw/zinc/01/80/94/501018094.db2.gz OUXDDMCMNHYMNW-CQSZACIVSA-N 1 2 373.457 3.154 20 5 FGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000435989394 501054609 /nfs/dbraw/zinc/05/46/09/501054609.db2.gz KRRTXORCAUGYNL-INIZCTEOSA-N 1 2 360.389 3.247 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCc1[nH+]ccn1CC(C)C ZINC000450346103 501096595 /nfs/dbraw/zinc/09/65/95/501096595.db2.gz CQTHDWZMUXWFNF-UHFFFAOYSA-N 1 2 355.398 3.038 20 5 FGBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450373476 501103604 /nfs/dbraw/zinc/10/36/04/501103604.db2.gz AEJKHULDRDSCOK-FZKQIMNGSA-N 1 2 367.409 3.436 20 5 FGBDLO CCc1nn(C)c(NCc2c(Cl)cccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000450561689 501154710 /nfs/dbraw/zinc/15/47/10/501154710.db2.gz RUHLUBLLMRBWLP-UHFFFAOYSA-N 1 2 360.805 3.342 20 5 FGBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(Cl)cc1 ZINC000446735063 501158425 /nfs/dbraw/zinc/15/84/25/501158425.db2.gz IJEFJSDXLVWRQK-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(Cl)cc1 ZINC000446735063 501158427 /nfs/dbraw/zinc/15/84/27/501158427.db2.gz IJEFJSDXLVWRQK-SFHVURJKSA-N 1 2 371.824 3.412 20 5 FGBDLO Cc1c(Br)c(N[C@H]2C[C@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450830498 501214980 /nfs/dbraw/zinc/21/49/80/501214980.db2.gz OBUYIEWXGYQJPH-CBAPKCEASA-N 1 2 352.192 3.375 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450929486 501231657 /nfs/dbraw/zinc/23/16/57/501231657.db2.gz JIIIRJMGRARCOV-UHFFFAOYSA-N 1 2 372.400 3.198 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000451020486 501239668 /nfs/dbraw/zinc/23/96/68/501239668.db2.gz XEBXXRYOMVDZOT-AWEZNQCLSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000451020486 501239669 /nfs/dbraw/zinc/23/96/69/501239669.db2.gz XEBXXRYOMVDZOT-AWEZNQCLSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451020486 501239670 /nfs/dbraw/zinc/23/96/70/501239670.db2.gz XEBXXRYOMVDZOT-AWEZNQCLSA-N 1 2 360.805 3.158 20 5 FGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000451020486 501239671 /nfs/dbraw/zinc/23/96/71/501239671.db2.gz XEBXXRYOMVDZOT-AWEZNQCLSA-N 1 2 360.805 3.158 20 5 FGBDLO CCC(CC)(OC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000453185463 501286930 /nfs/dbraw/zinc/28/69/30/501286930.db2.gz KURRBSFWBSPLNU-UHFFFAOYSA-N 1 2 357.370 3.492 20 5 FGBDLO COc1cc(-c2nc(CCc3[nH+]cccc3C)no2)cc([N+](=O)[O-])c1C ZINC000453230583 501294985 /nfs/dbraw/zinc/29/49/85/501294985.db2.gz RVKRBNGIAYIKAO-UHFFFAOYSA-N 1 2 354.366 3.450 20 5 FGBDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546834 501319225 /nfs/dbraw/zinc/31/92/25/501319225.db2.gz KAFDHFQOGOUNEP-UKRRQHHQSA-N 1 2 358.398 3.098 20 5 FGBDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000451546834 501319228 /nfs/dbraw/zinc/31/92/28/501319228.db2.gz KAFDHFQOGOUNEP-UKRRQHHQSA-N 1 2 358.398 3.098 20 5 FGBDLO O=C(NC[C@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452296386 501473326 /nfs/dbraw/zinc/47/33/26/501473326.db2.gz BPNHQFIOIITEJN-CYBMUJFWSA-N 1 2 364.352 3.336 20 5 FGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000452334035 501480038 /nfs/dbraw/zinc/48/00/38/501480038.db2.gz SCVCPAUBEYGXPO-UHFFFAOYSA-N 1 2 354.288 3.399 20 5 FGBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2[nH+]ccn21 ZINC000456412000 501520554 /nfs/dbraw/zinc/52/05/54/501520554.db2.gz HBNQWOXVTWVBDP-UFBFGSQYSA-N 1 2 354.288 3.246 20 5 FGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454618284 501593219 /nfs/dbraw/zinc/59/32/19/501593219.db2.gz QHRUKFHVCORLAD-CZUORRHYSA-N 1 2 371.441 3.490 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000592826576 506266502 /nfs/dbraw/zinc/26/65/02/506266502.db2.gz CPPJFBQJYVKKMZ-NSHDSACASA-N 1 2 357.414 3.227 20 5 FGBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000592826576 506266513 /nfs/dbraw/zinc/26/65/13/506266513.db2.gz CPPJFBQJYVKKMZ-NSHDSACASA-N 1 2 357.414 3.227 20 5 FGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457285831 501676308 /nfs/dbraw/zinc/67/63/08/501676308.db2.gz GZCZDDSXMBHDDC-JTQLQIEISA-N 1 2 366.468 3.232 20 5 FGBDLO COc1ncc(Br)cc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599004016 506273506 /nfs/dbraw/zinc/27/35/06/506273506.db2.gz PLRXSOYNGKRINZ-UHFFFAOYSA-N 1 2 358.217 3.112 20 5 FGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cs1 ZINC000481602421 501829333 /nfs/dbraw/zinc/82/93/33/501829333.db2.gz UBVQOUUNSIYYQQ-UHFFFAOYSA-N 1 2 350.415 3.365 20 5 FGBDLO COc1cccc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)c1 ZINC000599012499 506276374 /nfs/dbraw/zinc/27/63/74/506276374.db2.gz FGWHWYQLISTOLJ-UHFFFAOYSA-N 1 2 364.405 3.478 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936244 501861551 /nfs/dbraw/zinc/86/15/51/501861551.db2.gz ZDCLBNGEZQLMRR-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000470936244 501861554 /nfs/dbraw/zinc/86/15/54/501861554.db2.gz ZDCLBNGEZQLMRR-JOYOIKCWSA-N 1 2 356.304 3.418 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956736 501869016 /nfs/dbraw/zinc/86/90/16/501869016.db2.gz UHUZJZLMUUXEIH-WPRPVWTQSA-N 1 2 365.739 3.459 20 5 FGBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470956736 501869022 /nfs/dbraw/zinc/86/90/22/501869022.db2.gz UHUZJZLMUUXEIH-WPRPVWTQSA-N 1 2 365.739 3.459 20 5 FGBDLO COc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000485771312 501929671 /nfs/dbraw/zinc/92/96/71/501929671.db2.gz KRCOSTBSMUVFGP-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO COc1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000485771312 501929677 /nfs/dbraw/zinc/92/96/77/501929677.db2.gz KRCOSTBSMUVFGP-UHFFFAOYSA-N 1 2 364.405 3.347 20 5 FGBDLO O=[N+]([O-])c1c(NC[C@H]2CCN(CC(F)(F)F)C2)ccc2c[nH+]ccc21 ZINC000599026730 506284715 /nfs/dbraw/zinc/28/47/15/506284715.db2.gz YKBWCBACAWIFLJ-LLVKDONJSA-N 1 2 354.332 3.439 20 5 FGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2[nH]c3cc(F)ccc3[nH+]2)c1 ZINC000485981226 502009419 /nfs/dbraw/zinc/00/94/19/502009419.db2.gz RJCYMBKLYPMASC-UHFFFAOYSA-N 1 2 352.272 3.246 20 5 FGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000482723969 502161574 /nfs/dbraw/zinc/16/15/74/502161574.db2.gz OJMGANFLVNWHQH-UHFFFAOYSA-N 1 2 367.365 3.316 20 5 FGBDLO CCOc1cc(N2CC[NH+](Cc3ccc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000475486700 502186698 /nfs/dbraw/zinc/18/66/98/502186698.db2.gz MBFZRXHWHURNRE-UHFFFAOYSA-N 1 2 356.426 3.019 20 5 FGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000479308223 502219989 /nfs/dbraw/zinc/21/99/89/502219989.db2.gz BBVPYJYFJSSRDP-UHFFFAOYSA-N 1 2 366.425 3.176 20 5 FGBDLO Cc1ccc2[nH]c([C@H]3CCCN(c4cc[nH]c(=O)c4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000596189530 506300395 /nfs/dbraw/zinc/30/03/95/506300395.db2.gz JMYYFPYYJQQHJW-LBPRGKRZSA-N 1 2 353.382 3.264 20 5 FGBDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461975743 502260347 /nfs/dbraw/zinc/26/03/47/502260347.db2.gz VPLWRHIRQIWATF-UXHICEINSA-N 1 2 371.412 3.132 20 5 FGBDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461975743 502260352 /nfs/dbraw/zinc/26/03/52/502260352.db2.gz VPLWRHIRQIWATF-UXHICEINSA-N 1 2 371.412 3.132 20 5 FGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000476094466 502382134 /nfs/dbraw/zinc/38/21/34/502382134.db2.gz YAMFHMVQUUZDEH-UHFFFAOYSA-N 1 2 372.331 3.120 20 5 FGBDLO O=C(C[N@@H+]1CCc2cc(Cl)ccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483976584 502539387 /nfs/dbraw/zinc/53/93/87/502539387.db2.gz IAWVMIMARDVGTM-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO O=C(C[N@H+]1CCc2cc(Cl)ccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483976584 502539390 /nfs/dbraw/zinc/53/93/90/502539390.db2.gz IAWVMIMARDVGTM-UHFFFAOYSA-N 1 2 371.824 3.196 20 5 FGBDLO CCc1cc(NC[C@](C)(O)[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488187304 502652221 /nfs/dbraw/zinc/65/22/21/502652221.db2.gz ZDCPJQGSXMDSAB-DJJJIMSYSA-N 1 2 358.442 3.245 20 5 FGBDLO O=C1[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000599111740 506326552 /nfs/dbraw/zinc/32/65/52/506326552.db2.gz RIGLWGZVDACNQW-KRWDZBQOSA-N 1 2 354.410 3.489 20 5 FGBDLO O=C(Nc1cccc2c1OCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000466729401 502657160 /nfs/dbraw/zinc/65/71/60/502657160.db2.gz MXRHWYLNAMXBKK-UHFFFAOYSA-N 1 2 364.361 3.358 20 5 FGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000470214011 502706868 /nfs/dbraw/zinc/70/68/68/502706868.db2.gz BAQJRYWMRUMJTK-NTCAYCPXSA-N 1 2 360.458 3.124 20 5 FGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000513030306 502834881 /nfs/dbraw/zinc/83/48/81/502834881.db2.gz FLHHTWVPQREOQJ-UHFFFAOYSA-N 1 2 364.405 3.404 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000489026694 502863320 /nfs/dbraw/zinc/86/33/20/502863320.db2.gz ZVNYOFFARVUFLH-ZDUSSCGKSA-N 1 2 371.372 3.049 20 5 FGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)nc2c1 ZINC000489026694 502863323 /nfs/dbraw/zinc/86/33/23/502863323.db2.gz ZVNYOFFARVUFLH-ZDUSSCGKSA-N 1 2 371.372 3.049 20 5 FGBDLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509276112 502865455 /nfs/dbraw/zinc/86/54/55/502865455.db2.gz ILLPAJLTFYGKBN-LBPRGKRZSA-N 1 2 355.385 3.001 20 5 FGBDLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509276112 502865458 /nfs/dbraw/zinc/86/54/58/502865458.db2.gz ILLPAJLTFYGKBN-LBPRGKRZSA-N 1 2 355.385 3.001 20 5 FGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2n[nH]cc2c1 ZINC000513224184 502883502 /nfs/dbraw/zinc/88/35/02/502883502.db2.gz SBYVJDUDKWYBQY-NSHDSACASA-N 1 2 364.365 3.372 20 5 FGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2c(F)cccc2OC)c1 ZINC000593017776 506340118 /nfs/dbraw/zinc/34/01/18/506340118.db2.gz AVQQDVICAGIAJI-LLVKDONJSA-N 1 2 362.357 3.380 20 5 FGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505482744 502913257 /nfs/dbraw/zinc/91/32/57/502913257.db2.gz BQZLHMDVQPRJBF-MRXNPFEDSA-N 1 2 369.352 3.267 20 5 FGBDLO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000510513684 503129245 /nfs/dbraw/zinc/12/92/45/503129245.db2.gz SPBICXJZCWVFFM-ACJLOTCBSA-N 1 2 357.410 3.030 20 5 FGBDLO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000510525079 503133216 /nfs/dbraw/zinc/13/32/16/503133216.db2.gz MLKDMGQFMTVUGF-UGSOOPFHSA-N 1 2 357.410 3.030 20 5 FGBDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000510856208 503205099 /nfs/dbraw/zinc/20/50/99/503205099.db2.gz FWHMFQBBKHIROB-LLVKDONJSA-N 1 2 356.382 3.339 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507239509 503256775 /nfs/dbraw/zinc/25/67/75/503256775.db2.gz ZWEHKXCEVCTANT-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507239509 503256777 /nfs/dbraw/zinc/25/67/77/503256777.db2.gz ZWEHKXCEVCTANT-KUHUBIRLSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263052 503263959 /nfs/dbraw/zinc/26/39/59/503263959.db2.gz NTXNPQQOMUISOZ-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507263052 503263960 /nfs/dbraw/zinc/26/39/60/503263960.db2.gz NTXNPQQOMUISOZ-AUUYWEPGSA-N 1 2 369.421 3.168 20 5 FGBDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000502917041 503307384 /nfs/dbraw/zinc/30/73/84/503307384.db2.gz ADBRLZWIJPHCRT-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000502917041 503307389 /nfs/dbraw/zinc/30/73/89/503307389.db2.gz ADBRLZWIJPHCRT-CYBMUJFWSA-N 1 2 357.385 3.428 20 5 FGBDLO CCOc1cc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000492871964 503389565 /nfs/dbraw/zinc/38/95/65/503389565.db2.gz KCIXUZSGESZTOB-XMMPIXPASA-N 1 2 354.472 3.117 20 5 FGBDLO CCOc1cc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC000492871964 503389567 /nfs/dbraw/zinc/38/95/67/503389567.db2.gz KCIXUZSGESZTOB-XMMPIXPASA-N 1 2 354.472 3.117 20 5 FGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc(F)ccc21 ZINC000512440621 503552033 /nfs/dbraw/zinc/55/20/33/503552033.db2.gz CFXAADHKUGIQCZ-UHFFFAOYSA-N 1 2 352.325 3.123 20 5 FGBDLO Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536660173 503665495 /nfs/dbraw/zinc/66/54/95/503665495.db2.gz DDZQJHZPFSXIIS-WBVHZDCISA-N 1 2 356.426 3.398 20 5 FGBDLO Cn1c2ccc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc2sc1=O ZINC000527219455 503725079 /nfs/dbraw/zinc/72/50/79/503725079.db2.gz IJJLBUPQRJAOBS-UHFFFAOYSA-N 1 2 355.419 3.067 20 5 FGBDLO Cn1c2ccc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc2sc1=O ZINC000527219455 503725085 /nfs/dbraw/zinc/72/50/85/503725085.db2.gz IJJLBUPQRJAOBS-UHFFFAOYSA-N 1 2 355.419 3.067 20 5 FGBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000533256552 503779921 /nfs/dbraw/zinc/77/99/21/503779921.db2.gz PVMRIVFXFCIRRW-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000533256552 503779926 /nfs/dbraw/zinc/77/99/26/503779926.db2.gz PVMRIVFXFCIRRW-UHFFFAOYSA-N 1 2 373.409 3.073 20 5 FGBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 ZINC000543505330 503796796 /nfs/dbraw/zinc/79/67/96/503796796.db2.gz POMCJQNBVXJTQN-LBPRGKRZSA-N 1 2 356.386 3.273 20 5 FGBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000543506369 503797984 /nfs/dbraw/zinc/79/79/84/503797984.db2.gz QIPRCQLWARBXEZ-GFCCVEGCSA-N 1 2 356.386 3.273 20 5 FGBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000533385945 503825377 /nfs/dbraw/zinc/82/53/77/503825377.db2.gz CGJMEAVVUWZNGN-INIZCTEOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000533385945 503825383 /nfs/dbraw/zinc/82/53/83/503825383.db2.gz CGJMEAVVUWZNGN-INIZCTEOSA-N 1 2 359.813 3.486 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533393354 503829376 /nfs/dbraw/zinc/82/93/76/503829376.db2.gz WLOAMNPJEXOPDC-GFCCVEGCSA-N 1 2 366.377 3.470 20 5 FGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533393354 503829383 /nfs/dbraw/zinc/82/93/83/503829383.db2.gz WLOAMNPJEXOPDC-GFCCVEGCSA-N 1 2 366.377 3.470 20 5 FGBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000543859082 503918334 /nfs/dbraw/zinc/91/83/34/503918334.db2.gz IMCSJXOHGFRQAF-LSDHHAIUSA-N 1 2 353.850 3.470 20 5 FGBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC000543859082 503918337 /nfs/dbraw/zinc/91/83/37/503918337.db2.gz IMCSJXOHGFRQAF-LSDHHAIUSA-N 1 2 353.850 3.470 20 5 FGBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c(C)c1 ZINC000531342371 504272360 /nfs/dbraw/zinc/27/23/60/504272360.db2.gz RVISSWUWGPGAMR-UHFFFAOYSA-N 1 2 356.426 3.040 20 5 FGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)[nH+]1 ZINC000519709727 504311374 /nfs/dbraw/zinc/31/13/74/504311374.db2.gz QODIFZIBDULSLX-UHFFFAOYSA-N 1 2 367.203 3.054 20 5 FGBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000520258725 504448478 /nfs/dbraw/zinc/44/84/78/504448478.db2.gz CQNFKQQRZQSPCE-UHFFFAOYSA-N 1 2 353.300 3.273 20 5 FGBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000520258725 504448480 /nfs/dbraw/zinc/44/84/80/504448480.db2.gz CQNFKQQRZQSPCE-UHFFFAOYSA-N 1 2 353.300 3.273 20 5 FGBDLO COC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(F)cc1 ZINC000539379762 504547928 /nfs/dbraw/zinc/54/79/28/504547928.db2.gz RIPPPFACLRHJSL-MRXNPFEDSA-N 1 2 372.356 3.261 20 5 FGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001283 504602830 /nfs/dbraw/zinc/60/28/30/504602830.db2.gz BOFLPDNAKXWQQO-HNNXBMFYSA-N 1 2 357.454 3.348 20 5 FGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001283 504602833 /nfs/dbraw/zinc/60/28/33/504602833.db2.gz BOFLPDNAKXWQQO-HNNXBMFYSA-N 1 2 357.454 3.348 20 5 FGBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548962770 504637072 /nfs/dbraw/zinc/63/70/72/504637072.db2.gz XXEUBMWHUBXCQD-UHFFFAOYSA-N 1 2 354.370 3.234 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000542947973 504669265 /nfs/dbraw/zinc/66/92/65/504669265.db2.gz PEVTWHQGFZBSGZ-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000542947973 504669268 /nfs/dbraw/zinc/66/92/68/504669268.db2.gz PEVTWHQGFZBSGZ-CYBMUJFWSA-N 1 2 366.377 3.428 20 5 FGBDLO C[C@@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000532587564 504702620 /nfs/dbraw/zinc/70/26/20/504702620.db2.gz XBHGAUOCSOYEIE-CQSZACIVSA-N 1 2 368.393 3.028 20 5 FGBDLO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000532587564 504702625 /nfs/dbraw/zinc/70/26/25/504702625.db2.gz XBHGAUOCSOYEIE-CQSZACIVSA-N 1 2 368.393 3.028 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000539971068 504750767 /nfs/dbraw/zinc/75/07/67/504750767.db2.gz IVCFBTVCKOMPFZ-QGZVFWFLSA-N 1 2 355.394 3.294 20 5 FGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000539971068 504750770 /nfs/dbraw/zinc/75/07/70/504750770.db2.gz IVCFBTVCKOMPFZ-QGZVFWFLSA-N 1 2 355.394 3.294 20 5 FGBDLO C[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000565344335 504859913 /nfs/dbraw/zinc/85/99/13/504859913.db2.gz HQLRQUYGDCRCAN-AWEZNQCLSA-N 1 2 374.462 3.160 20 5 FGBDLO C[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000565344335 504859916 /nfs/dbraw/zinc/85/99/16/504859916.db2.gz HQLRQUYGDCRCAN-AWEZNQCLSA-N 1 2 374.462 3.160 20 5 FGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000550078200 504962324 /nfs/dbraw/zinc/96/23/24/504962324.db2.gz WTVQADOMFPCCKF-LLVKDONJSA-N 1 2 361.364 3.053 20 5 FGBDLO Cc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000556859953 504998242 /nfs/dbraw/zinc/99/82/42/504998242.db2.gz FXEZULSBBHRHCA-SHTZXODSSA-N 1 2 354.410 3.451 20 5 FGBDLO COc1ccc(OC)c(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000566608839 505221687 /nfs/dbraw/zinc/22/16/87/505221687.db2.gz UXEKBNAXIDXOHJ-UHFFFAOYSA-N 1 2 358.394 3.482 20 5 FGBDLO COc1ccc(OC)c(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000566608839 505221693 /nfs/dbraw/zinc/22/16/93/505221693.db2.gz UXEKBNAXIDXOHJ-UHFFFAOYSA-N 1 2 358.394 3.482 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845829 505279428 /nfs/dbraw/zinc/27/94/28/505279428.db2.gz FAFFFIJCBHWKPO-CQSZACIVSA-N 1 2 371.437 3.488 20 5 FGBDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845829 505279430 /nfs/dbraw/zinc/27/94/30/505279430.db2.gz FAFFFIJCBHWKPO-CQSZACIVSA-N 1 2 371.437 3.488 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000555417599 505427913 /nfs/dbraw/zinc/42/79/13/505427913.db2.gz CDUZWLBWKOLALR-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000555417599 505427914 /nfs/dbraw/zinc/42/79/14/505427914.db2.gz CDUZWLBWKOLALR-BMFZPTHFSA-N 1 2 374.359 3.382 20 5 FGBDLO Cn1ccnc1[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552337001 505465555 /nfs/dbraw/zinc/46/55/55/505465555.db2.gz MHPQIRXEAXZWAV-ZDUSSCGKSA-N 1 2 354.332 3.350 20 5 FGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)c1 ZINC000599264314 506390589 /nfs/dbraw/zinc/39/05/89/506390589.db2.gz SFKRCFMJRPKKRB-UHFFFAOYSA-N 1 2 366.343 3.331 20 5 FGBDLO Cc1cc(N2CCO[C@@](C)(C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596573549 506467498 /nfs/dbraw/zinc/46/74/98/506467498.db2.gz YRZBHCLUZTYLCL-QGZVFWFLSA-N 1 2 364.352 3.221 20 5 FGBDLO CCOc1ccc(NC(=O)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512546 506480817 /nfs/dbraw/zinc/48/08/17/506480817.db2.gz KBQOMZZYBBKNFK-RYUDHWBXSA-N 1 2 371.384 3.155 20 5 FGBDLO COC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000599680710 506576290 /nfs/dbraw/zinc/57/62/90/506576290.db2.gz QOYZITGSMNPXAF-OAHLLOKOSA-N 1 2 367.361 3.008 20 5 FGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000599680710 506576296 /nfs/dbraw/zinc/57/62/96/506576296.db2.gz QOYZITGSMNPXAF-OAHLLOKOSA-N 1 2 367.361 3.008 20 5 FGBDLO Cc1c(Br)c(N2CCC[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000612443470 506581772 /nfs/dbraw/zinc/58/17/72/506581772.db2.gz UGBDZBQBVWNASV-LLVKDONJSA-N 1 2 366.219 3.099 20 5 FGBDLO CCCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603741143 506607943 /nfs/dbraw/zinc/60/79/43/506607943.db2.gz HCTZRALGZDIDER-UHFFFAOYSA-N 1 2 356.304 3.195 20 5 FGBDLO COc1ccc(C)cc1C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603849739 506634117 /nfs/dbraw/zinc/63/41/17/506634117.db2.gz CQSAKQWGCHLHIQ-UHFFFAOYSA-N 1 2 369.465 3.272 20 5 FGBDLO Cc1cn2cc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000608878964 506734987 /nfs/dbraw/zinc/73/49/87/506734987.db2.gz NLEBDUNVDYZAFR-UHFFFAOYSA-N 1 2 353.382 3.382 20 5 FGBDLO C[C@@H](Cc1ccsc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604200517 506748639 /nfs/dbraw/zinc/74/86/39/506748639.db2.gz NQBNCOMSXHCKNB-LBPRGKRZSA-N 1 2 356.407 3.203 20 5 FGBDLO CSc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590207153 506764893 /nfs/dbraw/zinc/76/48/93/506764893.db2.gz VLGFNIMAIMQUST-UHFFFAOYSA-N 1 2 371.462 3.275 20 5 FGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000609204308 506813387 /nfs/dbraw/zinc/81/33/87/506813387.db2.gz FJPLTAOBJSPSOE-UHFFFAOYSA-N 1 2 371.319 3.326 20 5 FGBDLO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nncn1C ZINC000609222856 506818892 /nfs/dbraw/zinc/81/88/92/506818892.db2.gz LQKRRMBQMALQQC-AWEZNQCLSA-N 1 2 366.425 3.342 20 5 FGBDLO COc1cc(C[NH2+]Cc2cocn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000609354051 506862840 /nfs/dbraw/zinc/86/28/40/506862840.db2.gz KZMUUOFDEYDWMS-UHFFFAOYSA-N 1 2 369.377 3.460 20 5 FGBDLO Cc1cc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000609664139 506966320 /nfs/dbraw/zinc/96/63/20/506966320.db2.gz LNUBGXLBKXMUNO-MRXNPFEDSA-N 1 2 363.364 3.214 20 5 FGBDLO Cc1ccc(CN[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708099 506980366 /nfs/dbraw/zinc/98/03/66/506980366.db2.gz FNNMBDWLCFIRNI-NRFANRHFSA-N 1 2 369.465 3.020 20 5 FGBDLO Cc1ccc(CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708099 506980367 /nfs/dbraw/zinc/98/03/67/506980367.db2.gz FNNMBDWLCFIRNI-NRFANRHFSA-N 1 2 369.465 3.020 20 5 FGBDLO CN(C(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609800443 507007253 /nfs/dbraw/zinc/00/72/53/507007253.db2.gz HOAQRZAWQBGWLG-SFHVURJKSA-N 1 2 371.462 3.348 20 5 FGBDLO CN(C(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609800443 507007258 /nfs/dbraw/zinc/00/72/58/507007258.db2.gz HOAQRZAWQBGWLG-SFHVURJKSA-N 1 2 371.462 3.348 20 5 FGBDLO CSc1cccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000583897721 507037324 /nfs/dbraw/zinc/03/73/24/507037324.db2.gz IXBOCAUDHRCMCC-GFCCVEGCSA-N 1 2 364.427 3.148 20 5 FGBDLO CSc1cccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000583897721 507037330 /nfs/dbraw/zinc/03/73/30/507037330.db2.gz IXBOCAUDHRCMCC-GFCCVEGCSA-N 1 2 364.427 3.148 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610003853 507068117 /nfs/dbraw/zinc/06/81/17/507068117.db2.gz KYKIHKKKRHPIHE-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610003853 507068120 /nfs/dbraw/zinc/06/81/20/507068120.db2.gz KYKIHKKKRHPIHE-CYBMUJFWSA-N 1 2 369.396 3.242 20 5 FGBDLO CC1(C)C[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000594514690 507164326 /nfs/dbraw/zinc/16/43/26/507164326.db2.gz ZIOFSBFWKMOAOR-GJZGRUSLSA-N 1 2 357.414 3.077 20 5 FGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(c2ccco2)CC1 ZINC000597926604 507177600 /nfs/dbraw/zinc/17/76/00/507177600.db2.gz UNGASUPULAHUPS-UHFFFAOYSA-N 1 2 366.377 3.393 20 5 FGBDLO Cc1cccn2cc(CCNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[nH+]c12 ZINC000610468868 507252010 /nfs/dbraw/zinc/25/20/10/507252010.db2.gz PEJACPPYOUTBCS-UHFFFAOYSA-N 1 2 365.393 3.090 20 5 FGBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000601554490 507386433 /nfs/dbraw/zinc/38/64/33/507386433.db2.gz FDYIGYGGMDXCRI-CYBMUJFWSA-N 1 2 372.400 3.287 20 5 FGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595093347 507387618 /nfs/dbraw/zinc/38/76/18/507387618.db2.gz ABLWSYHJCCLUFF-ROUUACIJSA-N 1 2 358.442 3.213 20 5 FGBDLO CCOC(=O)Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000591889257 507396248 /nfs/dbraw/zinc/39/62/48/507396248.db2.gz RMJINRHVGCKQIZ-UHFFFAOYSA-N 1 2 368.393 3.231 20 5 FGBDLO Cc1cc(N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000595292084 507451513 /nfs/dbraw/zinc/45/15/13/507451513.db2.gz UJRWLVRXOXXBAI-UHFFFAOYSA-N 1 2 373.432 3.278 20 5 FGBDLO Cc1noc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[N+](=O)[O-] ZINC000595295738 507451920 /nfs/dbraw/zinc/45/19/20/507451920.db2.gz QVGVXRHVXXBZLI-WFASDCNBSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1[N+](=O)[O-] ZINC000595295738 507451924 /nfs/dbraw/zinc/45/19/24/507451924.db2.gz QVGVXRHVXXBZLI-WFASDCNBSA-N 1 2 372.208 3.288 20 5 FGBDLO Cc1noc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC000595415847 507486624 /nfs/dbraw/zinc/48/66/24/507486624.db2.gz RLOYWEYOWGEFFO-SNVBAGLBSA-N 1 2 359.361 3.375 20 5 FGBDLO CCOc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000595434012 507493992 /nfs/dbraw/zinc/49/39/92/507493992.db2.gz RNSPZXPWIOZPIZ-CYBMUJFWSA-N 1 2 359.430 3.162 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601973632 507534328 /nfs/dbraw/zinc/53/43/28/507534328.db2.gz SDFKEWSXXOBKFT-GFCCVEGCSA-N 1 2 354.275 3.470 20 5 FGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601973632 507534333 /nfs/dbraw/zinc/53/43/33/507534333.db2.gz SDFKEWSXXOBKFT-GFCCVEGCSA-N 1 2 354.275 3.470 20 5 FGBDLO C[N@H+](Cc1ccc(F)cc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253774 507582411 /nfs/dbraw/zinc/58/24/11/507582411.db2.gz XBEUOEORNPAWOF-UHFFFAOYSA-N 1 2 350.321 3.276 20 5 FGBDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253774 507582421 /nfs/dbraw/zinc/58/24/21/507582421.db2.gz XBEUOEORNPAWOF-UHFFFAOYSA-N 1 2 350.321 3.276 20 5 FGBDLO COc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC ZINC000611252186 507582564 /nfs/dbraw/zinc/58/25/64/507582564.db2.gz DKWNJKJDNDPUFC-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC ZINC000611252186 507582571 /nfs/dbraw/zinc/58/25/71/507582571.db2.gz DKWNJKJDNDPUFC-UHFFFAOYSA-N 1 2 374.393 3.015 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)OCCO2 ZINC000611264838 507589774 /nfs/dbraw/zinc/58/97/74/507589774.db2.gz YHLGISSTLMHWET-MRXNPFEDSA-N 1 2 374.393 3.140 20 5 FGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1)OCCO2 ZINC000611264838 507589781 /nfs/dbraw/zinc/58/97/81/507589781.db2.gz YHLGISSTLMHWET-MRXNPFEDSA-N 1 2 374.393 3.140 20 5 FGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn4cccc(F)c4n3)CC2)cc1 ZINC000611273927 507599814 /nfs/dbraw/zinc/59/98/14/507599814.db2.gz DBBPKLVQIPCRCY-UHFFFAOYSA-N 1 2 370.384 3.425 20 5 FGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000595759736 507672241 /nfs/dbraw/zinc/67/22/41/507672241.db2.gz PCYOWOHOFQBLLY-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO COc1ccc2c(c1)CC[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000595759736 507672244 /nfs/dbraw/zinc/67/22/44/507672244.db2.gz PCYOWOHOFQBLLY-UHFFFAOYSA-N 1 2 366.377 3.212 20 5 FGBDLO O=C(C[NH+]1CCC2(CCCC2=O)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595808736 507696885 /nfs/dbraw/zinc/69/68/85/507696885.db2.gz VPQAYOUAAOGBSZ-UHFFFAOYSA-N 1 2 365.817 3.022 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833117 507707057 /nfs/dbraw/zinc/70/70/57/507707057.db2.gz RQWXNXVQUJTZTN-GDBMZVCRSA-N 1 2 355.394 3.075 20 5 FGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833117 507707063 /nfs/dbraw/zinc/70/70/63/507707063.db2.gz RQWXNXVQUJTZTN-GDBMZVCRSA-N 1 2 355.394 3.075 20 5 FGBDLO O=[N+]([O-])c1sc(CN2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000602458938 507715753 /nfs/dbraw/zinc/71/57/53/507715753.db2.gz RBZGCHFJMRTRHC-JTQLQIEISA-N 1 2 371.260 3.452 20 5 FGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000615034571 507727274 /nfs/dbraw/zinc/72/72/74/507727274.db2.gz KUAVEAPULLSSCX-UHFFFAOYSA-N 1 2 365.393 3.470 20 5 FGBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000611560847 507739223 /nfs/dbraw/zinc/73/92/23/507739223.db2.gz OSIGUCDKDBOXDT-QGZVFWFLSA-N 1 2 352.398 3.136 20 5 FGBDLO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccs1 ZINC000611563404 507740874 /nfs/dbraw/zinc/74/08/74/507740874.db2.gz SIAIUMXLHVMHOK-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccs1 ZINC000611563404 507740881 /nfs/dbraw/zinc/74/08/81/507740881.db2.gz SIAIUMXLHVMHOK-UHFFFAOYSA-N 1 2 363.439 3.052 20 5 FGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556566 598758663 /nfs/dbraw/zinc/75/86/63/598758663.db2.gz YTOVCFCJAPSECP-LBPRGKRZSA-N 1 2 370.388 3.497 20 5 FGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556566 598758665 /nfs/dbraw/zinc/75/86/65/598758665.db2.gz YTOVCFCJAPSECP-LBPRGKRZSA-N 1 2 370.388 3.497 20 5 FGBDLO