smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024301491 559286483 /nfs/dbraw/zinc/28/64/83/559286483.db2.gz HBJBRMIWOBCEEN-UHFFFAOYSA-N 1 2 413.499 3.210 50 5 HGBALO CCOC(=O)c1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048299695 568437338 /nfs/dbraw/zinc/43/73/38/568437338.db2.gz UIFBNUIYRUUXBG-SFHVURJKSA-N 1 2 411.414 3.075 50 5 HGBALO CSc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012754118 568942153 /nfs/dbraw/zinc/94/21/53/568942153.db2.gz WVURWRXQVRAOLK-QGZVFWFLSA-N 1 2 401.488 3.120 50 5 HGBALO COc1ccccc1[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000006250197 569034696 /nfs/dbraw/zinc/03/46/96/569034696.db2.gz QLFNVYVYGHJWMA-IBGZPJMESA-N 1 2 419.503 3.256 50 5 HGBALO Cc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000036452051 569185694 /nfs/dbraw/zinc/18/56/94/569185694.db2.gz QHVUFLPCZGCOJW-MRXNPFEDSA-N 1 2 418.519 3.012 50 5 HGBALO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000007322699 569233584 /nfs/dbraw/zinc/23/35/84/569233584.db2.gz GCTXKGDPRFAWKH-HNNXBMFYSA-N 1 2 400.460 3.437 50 5 HGBALO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000007322700 569233605 /nfs/dbraw/zinc/23/36/05/569233605.db2.gz GCTXKGDPRFAWKH-OAHLLOKOSA-N 1 2 400.460 3.437 50 5 HGBALO CN(C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000013039979 569407760 /nfs/dbraw/zinc/40/77/60/569407760.db2.gz NJYMVJGXPZWKMB-UHFFFAOYSA-N 1 2 422.407 3.399 50 5 HGBALO COc1cc(OC)cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000040018138 571139145 /nfs/dbraw/zinc/13/91/45/571139145.db2.gz LJMDXICFOPNYQJ-SFHVURJKSA-N 1 2 411.418 3.257 50 5 HGBALO C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000040139246 571189126 /nfs/dbraw/zinc/18/91/26/571189126.db2.gz KKRUHLUAZPTAGV-INIZCTEOSA-N 1 2 421.523 3.104 50 5 HGBALO CCNC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096278544 568716732 /nfs/dbraw/zinc/71/67/32/568716732.db2.gz BPBUUOJWUGLIHX-UHFFFAOYSA-N 1 2 424.505 3.013 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151329 568753826 /nfs/dbraw/zinc/75/38/26/568753826.db2.gz KOKMVUVDHWHGTD-UHFFFAOYSA-N 1 2 412.442 3.470 50 5 HGBALO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285204 568823903 /nfs/dbraw/zinc/82/39/03/568823903.db2.gz WKWYDEAARHANOU-UHFFFAOYSA-N 1 2 409.364 3.451 50 5 HGBALO CCN(CC)S(=O)(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000007987027 568965112 /nfs/dbraw/zinc/96/51/12/568965112.db2.gz DWEUNWCNTBZPKT-UHFFFAOYSA-N 1 2 418.475 3.160 50 5 HGBALO COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000036435329 569182402 /nfs/dbraw/zinc/18/24/02/569182402.db2.gz LJMDXICFOPNYQJ-GOSISDBHSA-N 1 2 411.418 3.257 50 5 HGBALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000009453871 571260113 /nfs/dbraw/zinc/26/01/13/571260113.db2.gz OOTIJCRZRINZTE-UHFFFAOYSA-N 1 2 408.252 3.436 50 5 HGBALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000009453871 571260114 /nfs/dbraw/zinc/26/01/14/571260114.db2.gz OOTIJCRZRINZTE-UHFFFAOYSA-N 1 2 408.252 3.436 50 5 HGBALO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCOCC2)cc1 ZINC000023105886 559009812 /nfs/dbraw/zinc/00/98/12/559009812.db2.gz VJIASJXSVHWMQY-LJQANCHMSA-N 1 2 403.866 3.360 50 5 HGBALO O=C(C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000004978457 559220352 /nfs/dbraw/zinc/22/03/52/559220352.db2.gz OXLTWOJACBYUII-UHFFFAOYSA-N 1 2 400.410 3.411 50 5 HGBALO COc1cccc(OC)c1OC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048274167 568434140 /nfs/dbraw/zinc/43/41/40/568434140.db2.gz DFOSYUYDBYODDA-UHFFFAOYSA-N 1 2 412.446 3.463 50 5 HGBALO O=C(NCC[NH+]1CCOCC1)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000020664074 568639589 /nfs/dbraw/zinc/63/95/89/568639589.db2.gz FVBLQOSHEXOHAO-UHFFFAOYSA-N 1 2 421.906 3.461 50 5 HGBALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001221530 568838843 /nfs/dbraw/zinc/83/88/43/568838843.db2.gz DUDZXIAVYLXCJM-UHFFFAOYSA-N 1 2 406.427 3.455 50 5 HGBALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000013040289 569407735 /nfs/dbraw/zinc/40/77/35/569407735.db2.gz UDFPJKOEGFTGHH-OAHLLOKOSA-N 1 2 402.882 3.248 50 5 HGBALO CCOc1ccccc1N1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000032935708 521517533 /nfs/dbraw/zinc/51/75/33/521517533.db2.gz WDYXEWFEKMBWDP-UHFFFAOYSA-N 1 2 409.446 3.366 50 5 HGBALO Cc1cc(NCCCN2C(=O)NC3(CCCC3)C2=O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048280024 568435848 /nfs/dbraw/zinc/43/58/48/568435848.db2.gz PKKZPCACBXDAHH-UHFFFAOYSA-N 1 2 424.461 3.027 50 5 HGBALO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000021959817 568764113 /nfs/dbraw/zinc/76/41/13/568764113.db2.gz QDSIJSGDZCSGAC-UHFFFAOYSA-N 1 2 401.850 3.141 50 5 HGBALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000012551062 568853105 /nfs/dbraw/zinc/85/31/05/568853105.db2.gz FXFOCHAVTIAXRV-QGZVFWFLSA-N 1 2 404.423 3.072 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058124111 568888560 /nfs/dbraw/zinc/88/85/60/568888560.db2.gz MLLDGTCOPDZNAJ-CQSZACIVSA-N 1 2 418.881 3.406 50 5 HGBALO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000012977590 569405764 /nfs/dbraw/zinc/40/57/64/569405764.db2.gz UDYAHDFEVMWMGZ-UHFFFAOYSA-N 1 2 416.522 3.265 50 5 HGBALO Cn1ccnc1C(=O)c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000072313851 558841298 /nfs/dbraw/zinc/84/12/98/558841298.db2.gz AWVCNMPJZFUMLU-UHFFFAOYSA-N 1 2 408.393 3.229 50 5 HGBALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000020352962 568599649 /nfs/dbraw/zinc/59/96/49/568599649.db2.gz CZGVDSMSLTYNTF-UHFFFAOYSA-N 1 2 409.442 3.422 50 5 HGBALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012559556 568857250 /nfs/dbraw/zinc/85/72/50/568857250.db2.gz BRGSVJAQNXWVNQ-KRWDZBQOSA-N 1 2 404.423 3.072 50 5 HGBALO CSc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012754114 568942066 /nfs/dbraw/zinc/94/20/66/568942066.db2.gz WVURWRXQVRAOLK-KRWDZBQOSA-N 1 2 401.488 3.120 50 5 HGBALO COc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000025963189 568967271 /nfs/dbraw/zinc/96/72/71/568967271.db2.gz PMMDWXKRNDQJOQ-UHFFFAOYSA-N 1 2 420.372 3.293 50 5 HGBALO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012537250 132362302 /nfs/dbraw/zinc/36/23/02/132362302.db2.gz PMSNJCNOPYZIRD-MRXNPFEDSA-N 1 2 405.458 3.292 50 5 HGBALO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004623917 558869967 /nfs/dbraw/zinc/86/99/67/558869967.db2.gz CSZNAUMEUWTBGB-CYBMUJFWSA-N 1 2 404.382 3.378 50 5 HGBALO Cc1cc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000079111729 560541249 /nfs/dbraw/zinc/54/12/49/560541249.db2.gz KESAGBTYVINRLX-MRXNPFEDSA-N 1 2 404.430 3.082 50 5 HGBALO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1N1CCOCC1 ZINC000047406694 560886812 /nfs/dbraw/zinc/88/68/12/560886812.db2.gz VDXAZCFTFZMQFU-UHFFFAOYSA-N 1 2 409.446 3.113 50 5 HGBALO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1N1CCOCC1 ZINC000047406694 560886813 /nfs/dbraw/zinc/88/68/13/560886813.db2.gz VDXAZCFTFZMQFU-UHFFFAOYSA-N 1 2 409.446 3.113 50 5 HGBALO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057452448 568837945 /nfs/dbraw/zinc/83/79/45/568837945.db2.gz ZVHMTLLMDWMQMU-INIZCTEOSA-N 1 2 405.458 3.292 50 5 HGBALO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057619592 568855926 /nfs/dbraw/zinc/85/59/26/568855926.db2.gz QJJMRQZQDPEDKN-KRWDZBQOSA-N 1 2 419.485 3.317 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058124103 568888567 /nfs/dbraw/zinc/88/85/67/568888567.db2.gz MLLDGTCOPDZNAJ-AWEZNQCLSA-N 1 2 418.881 3.406 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC000003403390 568896774 /nfs/dbraw/zinc/89/67/74/568896774.db2.gz YIVLJDZAIJIBPG-CYBMUJFWSA-N 1 2 403.435 3.080 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1OC ZINC000003403390 568896775 /nfs/dbraw/zinc/89/67/75/568896775.db2.gz YIVLJDZAIJIBPG-CYBMUJFWSA-N 1 2 403.435 3.080 50 5 HGBALO C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033040257 558869583 /nfs/dbraw/zinc/86/95/83/558869583.db2.gz JXLBJJRUYVOKGY-RTBURBONSA-N 1 2 410.518 3.243 50 5 HGBALO CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c3ccccc3[nH+]c2N1 ZINC000004786689 559064143 /nfs/dbraw/zinc/06/41/43/559064143.db2.gz XSUWQDCTWGQXCF-HXUWFJFHSA-N 1 2 419.441 3.092 50 5 HGBALO COc1cc(OC)cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000012507646 568839698 /nfs/dbraw/zinc/83/96/98/568839698.db2.gz JPLNCLBWJRMXDW-SFHVURJKSA-N 1 2 411.418 3.257 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015996489 569025320 /nfs/dbraw/zinc/02/53/20/569025320.db2.gz ZNOADRSMXVDYKA-PLACYPQZSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015996489 569025321 /nfs/dbraw/zinc/02/53/21/569025321.db2.gz ZNOADRSMXVDYKA-PLACYPQZSA-N 1 2 417.421 3.008 50 5 HGBALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016470940 569052612 /nfs/dbraw/zinc/05/26/12/569052612.db2.gz BIANGZSBAFMMSL-NRFANRHFSA-N 1 2 419.485 3.451 50 5 HGBALO C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033040258 558869714 /nfs/dbraw/zinc/86/97/14/558869714.db2.gz JXLBJJRUYVOKGY-OALUTQOASA-N 1 2 410.518 3.243 50 5 HGBALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000014317524 559163998 /nfs/dbraw/zinc/16/39/98/559163998.db2.gz NLIHKLFYYYIBQW-UHFFFAOYSA-N 1 2 422.441 3.268 50 5 HGBALO COc1ccc(NC(=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[NH+]2CCCCC2)cc1 ZINC000049629685 568452676 /nfs/dbraw/zinc/45/26/76/568452676.db2.gz LBGNTBSIXLQSRY-HXUWFJFHSA-N 1 2 413.430 3.498 50 5 HGBALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)occ1OCc1cccc([N+](=O)[O-])c1 ZINC000056949887 568822004 /nfs/dbraw/zinc/82/20/04/568822004.db2.gz OZQFKTKQGAYXLF-UHFFFAOYSA-N 1 2 421.453 3.449 50 5 HGBALO CCOc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000013322855 569254951 /nfs/dbraw/zinc/25/49/51/569254951.db2.gz YDZQLHPOUSXVIN-UHFFFAOYSA-N 1 2 414.462 3.352 50 5 HGBALO O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000019863528 569431666 /nfs/dbraw/zinc/43/16/66/569431666.db2.gz WWGLYYFBGKRSDN-DAXSKMNVSA-N 1 2 419.437 3.172 50 5 HGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000004324248 132275271 /nfs/dbraw/zinc/27/52/71/132275271.db2.gz SPJBCBLUDSEKRV-UHFFFAOYSA-N 1 2 423.517 3.478 50 5 HGBALO Cc1ccc([C@@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 ZINC000012546135 132362973 /nfs/dbraw/zinc/36/29/73/132362973.db2.gz LTGQRKKRINMFEF-HSZRJFAPSA-N 1 2 408.502 3.293 50 5 HGBALO COc1ccc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000045343469 524495750 /nfs/dbraw/zinc/49/57/50/524495750.db2.gz QRZGXWQWMRUTGQ-UHFFFAOYSA-N 1 2 418.881 3.013 50 5 HGBALO CC1CCN(C[C@H](CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCC(C)CC2)CC1 ZINC000004776310 559056620 /nfs/dbraw/zinc/05/66/20/559056620.db2.gz WHFSSAKYWSYLOQ-HXUWFJFHSA-N 1 2 423.579 3.201 50 5 HGBALO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccccc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000096278216 568716553 /nfs/dbraw/zinc/71/65/53/568716553.db2.gz GMQRQUMGVYCMAA-LJQANCHMSA-N 1 2 422.485 3.047 50 5 HGBALO CCN(CC)S(=O)(=O)c1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000018901199 568742638 /nfs/dbraw/zinc/74/26/38/568742638.db2.gz BTGYMOXEWMTSOO-UHFFFAOYSA-N 1 2 406.489 3.424 50 5 HGBALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012559558 568857119 /nfs/dbraw/zinc/85/71/19/568857119.db2.gz BRGSVJAQNXWVNQ-QGZVFWFLSA-N 1 2 404.423 3.072 50 5 HGBALO CSc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012938961 569028081 /nfs/dbraw/zinc/02/80/81/569028081.db2.gz ULYKVFUYULOFQP-GOSISDBHSA-N 1 2 415.515 3.428 50 5 HGBALO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000013000040 569049171 /nfs/dbraw/zinc/04/91/71/569049171.db2.gz JUIAZLQUKGZPSG-AWEZNQCLSA-N 1 2 405.838 3.349 50 5 HGBALO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000013000040 569049172 /nfs/dbraw/zinc/04/91/72/569049172.db2.gz JUIAZLQUKGZPSG-AWEZNQCLSA-N 1 2 405.838 3.349 50 5 HGBALO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000017091153 569274541 /nfs/dbraw/zinc/27/45/41/569274541.db2.gz MVUCVZFISJZSRP-UHFFFAOYSA-N 1 2 417.531 3.399 50 5 HGBALO Cc1ccc([C@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 ZINC000012546136 132362957 /nfs/dbraw/zinc/36/29/57/132362957.db2.gz LTGQRKKRINMFEF-QHCPKHFHSA-N 1 2 408.502 3.293 50 5 HGBALO CCOc1ccccc1-c1noc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000012521567 535483329 /nfs/dbraw/zinc/48/33/29/535483329.db2.gz AUYMHTNBDSAEQW-UHFFFAOYSA-N 1 2 409.446 3.366 50 5 HGBALO Cc1c(C(=O)NCCCn2cc[nH+]c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931113 559209788 /nfs/dbraw/zinc/20/97/88/559209788.db2.gz WLQBNIVZRFBNNT-UHFFFAOYSA-N 1 2 410.459 3.296 50 5 HGBALO CCc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000058102724 568885938 /nfs/dbraw/zinc/88/59/38/568885938.db2.gz FFUZCQGTCXJMGM-UHFFFAOYSA-N 1 2 420.473 3.268 50 5 HGBALO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015446843 568886002 /nfs/dbraw/zinc/88/60/02/568886002.db2.gz BPXYTTPHJPXLLV-LJQANCHMSA-N 1 2 402.882 3.200 50 5 HGBALO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000078623954 569414553 /nfs/dbraw/zinc/41/45/53/569414553.db2.gz ZCLAPHVSBCGIGU-UHFFFAOYSA-N 1 2 403.439 3.088 50 5 HGBALO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000078623954 569414554 /nfs/dbraw/zinc/41/45/54/569414554.db2.gz ZCLAPHVSBCGIGU-UHFFFAOYSA-N 1 2 403.439 3.088 50 5 HGBALO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000072274876 558700857 /nfs/dbraw/zinc/70/08/57/558700857.db2.gz FJTJWCDZPXUVOU-UHFFFAOYSA-N 1 2 424.910 3.109 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016037572 558769784 /nfs/dbraw/zinc/76/97/84/558769784.db2.gz NXDUPPXYZDNDIK-PLACYPQZSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016037572 558769785 /nfs/dbraw/zinc/76/97/85/558769785.db2.gz NXDUPPXYZDNDIK-PLACYPQZSA-N 1 2 417.421 3.008 50 5 HGBALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000055530592 568778882 /nfs/dbraw/zinc/77/88/82/568778882.db2.gz JLXAEPZUMLZMLJ-UHFFFAOYSA-N 1 2 419.485 3.466 50 5 HGBALO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000017091152 569274307 /nfs/dbraw/zinc/27/43/07/569274307.db2.gz MISVUSFOWOGVIK-UHFFFAOYSA-N 1 2 417.531 3.399 50 5 HGBALO O=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019789907 569429821 /nfs/dbraw/zinc/42/98/21/569429821.db2.gz HOCCZIKLCQPBPT-UHFFFAOYSA-N 1 2 405.454 3.471 50 5 HGBALO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019797919 569430305 /nfs/dbraw/zinc/43/03/05/569430305.db2.gz CSCPTLDSEMQXBL-UHFFFAOYSA-N 1 2 404.264 3.315 50 5 HGBALO O=[N+]([O-])c1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000004951083 132296958 /nfs/dbraw/zinc/29/69/58/132296958.db2.gz FQARSGQIPUOFRP-UHFFFAOYSA-N 1 2 401.430 3.050 50 5 HGBALO Cn1ccnc1C(=O)c1ccc(NCCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000072307703 527427424 /nfs/dbraw/zinc/42/74/24/527427424.db2.gz RFBHPMUGTZSFIQ-UHFFFAOYSA-N 1 2 418.457 3.491 50 5 HGBALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000056945292 568821603 /nfs/dbraw/zinc/82/16/03/568821603.db2.gz OJOURMPLCKGEAO-NRFANRHFSA-N 1 2 420.469 3.481 50 5 HGBALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1 ZINC000056949863 568822008 /nfs/dbraw/zinc/82/20/08/568822008.db2.gz VHEGCPBXHDYVQS-UHFFFAOYSA-N 1 2 421.453 3.449 50 5 HGBALO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057619593 568855921 /nfs/dbraw/zinc/85/59/21/568855921.db2.gz QJJMRQZQDPEDKN-QGZVFWFLSA-N 1 2 419.485 3.317 50 5 HGBALO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015446842 568885964 /nfs/dbraw/zinc/88/59/64/568885964.db2.gz BPXYTTPHJPXLLV-IBGZPJMESA-N 1 2 402.882 3.200 50 5 HGBALO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])cc1C ZINC000015524328 568944853 /nfs/dbraw/zinc/94/48/53/568944853.db2.gz BNPOSSWDXSPZHW-UHFFFAOYSA-N 1 2 424.501 3.179 50 5 HGBALO O=C(NCc1cccnc1OC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032249364 568951594 /nfs/dbraw/zinc/95/15/94/568951594.db2.gz PKXOXCNBYITLSP-UHFFFAOYSA-N 1 2 407.430 3.427 50 5 HGBALO C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000040142628 571193341 /nfs/dbraw/zinc/19/33/41/571193341.db2.gz ZTIRJNYVHBRZFY-GJZGRUSLSA-N 1 2 422.445 3.041 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009360889 571251574 /nfs/dbraw/zinc/25/15/74/571251574.db2.gz ZNOADRSMXVDYKA-NCYKPQTJSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009360889 571251575 /nfs/dbraw/zinc/25/15/75/571251575.db2.gz ZNOADRSMXVDYKA-NCYKPQTJSA-N 1 2 417.421 3.008 50 5 HGBALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000013040292 132453026 /nfs/dbraw/zinc/45/30/26/132453026.db2.gz DUMOYNRQMGGHRC-HNNXBMFYSA-N 1 2 402.882 3.248 50 5 HGBALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000032801599 526789703 /nfs/dbraw/zinc/78/97/03/526789703.db2.gz JGBABSBSDYAEMO-UHFFFAOYSA-N 1 2 411.245 3.063 50 5 HGBALO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057561354 568853912 /nfs/dbraw/zinc/85/39/12/568853912.db2.gz QQOZTRPMWFKNCP-OAHLLOKOSA-N 1 2 423.448 3.431 50 5 HGBALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058160671 568892677 /nfs/dbraw/zinc/89/26/77/568892677.db2.gz URZQLTXIKPIYFW-CQSZACIVSA-N 1 2 418.881 3.406 50 5 HGBALO C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000040142627 571193275 /nfs/dbraw/zinc/19/32/75/571193275.db2.gz ZTIRJNYVHBRZFY-GASCZTMLSA-N 1 2 422.445 3.041 50 5 HGBALO C[N@@H+]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000009390614 571254478 /nfs/dbraw/zinc/25/44/78/571254478.db2.gz NLGFKBWYRHUJEF-UHFFFAOYSA-N 1 2 416.484 3.210 50 5 HGBALO C[N@H+]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000009390614 571254479 /nfs/dbraw/zinc/25/44/79/571254479.db2.gz NLGFKBWYRHUJEF-UHFFFAOYSA-N 1 2 416.484 3.210 50 5 HGBALO CCOc1cc2c(cc1CNC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000032741040 520792657 /nfs/dbraw/zinc/79/26/57/520792657.db2.gz DWDYIXRJHCRLBO-CQSZACIVSA-N 1 2 422.441 3.433 50 5 HGBALO CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3[nH+]c2N1 ZINC000004786839 559063955 /nfs/dbraw/zinc/06/39/55/559063955.db2.gz NQVLEKWQIBKXCE-FQEVSTJZSA-N 1 2 419.441 3.092 50 5 HGBALO CCC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000024811969 568465976 /nfs/dbraw/zinc/46/59/76/568465976.db2.gz XKFHWCCDSUQLHV-UHFFFAOYSA-N 1 2 402.417 3.040 50 5 HGBALO CCOC(=O)c1ccnc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000095456935 568618063 /nfs/dbraw/zinc/61/80/63/568618063.db2.gz TXCADFWKLRURFM-CQSZACIVSA-N 1 2 402.426 3.189 50 5 HGBALO CC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096317224 568726299 /nfs/dbraw/zinc/72/62/99/568726299.db2.gz UOVKRKIPTKRDOH-UHFFFAOYSA-N 1 2 411.506 3.151 50 5 HGBALO CCOC(=O)c1c(C[NH+]2CCOCC2)sc2c3cc(OC)cc([N+](=O)[O-])c3[nH]c21 ZINC000096576573 568761454 /nfs/dbraw/zinc/76/14/54/568761454.db2.gz RKCGIJFOGAAZHX-UHFFFAOYSA-N 1 2 419.459 3.308 50 5 HGBALO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285094 568824043 /nfs/dbraw/zinc/82/40/43/568824043.db2.gz RANUMKFTDPJOQC-UHFFFAOYSA-N 1 2 409.364 3.451 50 5 HGBALO CCN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)c1ccccc1 ZINC000057466847 568838546 /nfs/dbraw/zinc/83/85/46/568838546.db2.gz CHLTYXBWSAWFQY-UHFFFAOYSA-N 1 2 419.485 3.318 50 5 HGBALO COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000012507645 568839672 /nfs/dbraw/zinc/83/96/72/568839672.db2.gz JPLNCLBWJRMXDW-GOSISDBHSA-N 1 2 411.418 3.257 50 5 HGBALO COc1ccccc1[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000006250194 569034737 /nfs/dbraw/zinc/03/47/37/569034737.db2.gz QLFNVYVYGHJWMA-LJQANCHMSA-N 1 2 419.503 3.256 50 5 HGBALO C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050178 569211836 /nfs/dbraw/zinc/21/18/36/569211836.db2.gz HNKQEKHDDJERIT-GFCCVEGCSA-N 1 2 406.851 3.473 50 5 HGBALO CN(CCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1cccc[nH+]1 ZINC000032927027 522771755 /nfs/dbraw/zinc/77/17/55/522771755.db2.gz DMBVKINPFUTFDY-UHFFFAOYSA-N 1 2 418.397 3.222 50 5 HGBALO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 ZINC000095941520 568662116 /nfs/dbraw/zinc/66/21/16/568662116.db2.gz XQPNVOSGAXPIAC-ZDUSSCGKSA-N 1 2 416.507 3.347 50 5 HGBALO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 ZINC000095941520 568662121 /nfs/dbraw/zinc/66/21/21/568662121.db2.gz XQPNVOSGAXPIAC-ZDUSSCGKSA-N 1 2 416.507 3.347 50 5 HGBALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000012551060 568853126 /nfs/dbraw/zinc/85/31/26/568853126.db2.gz FXFOCHAVTIAXRV-KRWDZBQOSA-N 1 2 404.423 3.072 50 5 HGBALO Cn1cc[nH+]c1[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016470941 569052635 /nfs/dbraw/zinc/05/26/35/569052635.db2.gz BIANGZSBAFMMSL-OAQYLSRUSA-N 1 2 419.485 3.451 50 5 HGBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010203641 571296631 /nfs/dbraw/zinc/29/66/31/571296631.db2.gz CJZPTSUFPAGSIG-KRWDZBQOSA-N 1 2 424.501 3.465 50 5 HGBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010203641 571296633 /nfs/dbraw/zinc/29/66/33/571296633.db2.gz CJZPTSUFPAGSIG-KRWDZBQOSA-N 1 2 424.501 3.465 50 5 HGBALO O=C(NCc1ccccc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000004660404 132281118 /nfs/dbraw/zinc/28/11/18/132281118.db2.gz BWWAFWGMVXEQHX-UHFFFAOYSA-N 1 2 417.469 3.246 50 5 HGBALO O=[N+]([O-])c1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000012644496 132365735 /nfs/dbraw/zinc/36/57/35/132365735.db2.gz WYIJXRIMHCHDKT-UHFFFAOYSA-N 1 2 419.420 3.189 50 5 HGBALO CC(C)(CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[NH+]1CCOCC1 ZINC000032780871 519261764 /nfs/dbraw/zinc/26/17/64/519261764.db2.gz DKFDJECVTHXCSM-UHFFFAOYSA-N 1 2 407.854 3.349 50 5 HGBALO CCc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000033017202 558834536 /nfs/dbraw/zinc/83/45/36/558834536.db2.gz HCQLXUFQONNGHX-UHFFFAOYSA-N 1 2 420.473 3.268 50 5 HGBALO C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033040256 558869578 /nfs/dbraw/zinc/86/95/78/558869578.db2.gz JXLBJJRUYVOKGY-RBUKOAKNSA-N 1 2 410.518 3.243 50 5 HGBALO C[C@H](CCc1ccccc1)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033040259 558869633 /nfs/dbraw/zinc/86/96/33/558869633.db2.gz JXLBJJRUYVOKGY-MOPGFXCFSA-N 1 2 410.518 3.243 50 5 HGBALO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004623913 558869852 /nfs/dbraw/zinc/86/98/52/558869852.db2.gz CSZNAUMEUWTBGB-ZDUSSCGKSA-N 1 2 404.382 3.378 50 5 HGBALO Cc1cc2[nH+]cn(-c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2cc1C ZINC000005688897 560784331 /nfs/dbraw/zinc/78/43/31/560784331.db2.gz QFOVXWIBFFWSGC-UHFFFAOYSA-N 1 2 400.460 3.335 50 5 HGBALO C[C@@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057470811 568838876 /nfs/dbraw/zinc/83/88/76/568838876.db2.gz SMTAWUNBEYIRQM-HNNXBMFYSA-N 1 2 423.448 3.431 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC000003403387 568857882 /nfs/dbraw/zinc/85/78/82/568857882.db2.gz YIVLJDZAIJIBPG-ZDUSSCGKSA-N 1 2 403.435 3.080 50 5 HGBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1OC ZINC000003403387 568857883 /nfs/dbraw/zinc/85/78/83/568857883.db2.gz YIVLJDZAIJIBPG-ZDUSSCGKSA-N 1 2 403.435 3.080 50 5 HGBALO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000013000038 569049183 /nfs/dbraw/zinc/04/91/83/569049183.db2.gz JUIAZLQUKGZPSG-CQSZACIVSA-N 1 2 405.838 3.349 50 5 HGBALO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000013000038 569049184 /nfs/dbraw/zinc/04/91/84/569049184.db2.gz JUIAZLQUKGZPSG-CQSZACIVSA-N 1 2 405.838 3.349 50 5 HGBALO CCc1cc(N(CCC(=O)OC)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000089282887 569057233 /nfs/dbraw/zinc/05/72/33/569057233.db2.gz VLDMEBZHJYVEDH-GOSISDBHSA-N 1 2 414.462 3.163 50 5 HGBALO Cc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037222238 569240697 /nfs/dbraw/zinc/24/06/97/569240697.db2.gz QHVUFLPCZGCOJW-INIZCTEOSA-N 1 2 418.519 3.012 50 5 HGBALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004954835 132296906 /nfs/dbraw/zinc/29/69/06/132296906.db2.gz DWYVBLXENFKVOW-UHFFFAOYSA-N 1 2 415.457 3.359 50 5 HGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1ccc(F)cc1 ZINC000012561321 132363915 /nfs/dbraw/zinc/36/39/15/132363915.db2.gz RARCOPXNIQXTFJ-UHFFFAOYSA-N 1 2 409.421 3.043 50 5 HGBALO CC1CCN(c2ccc(C(=O)NCCc3cn4ccccc4[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000012582961 132364488 /nfs/dbraw/zinc/36/44/88/132364488.db2.gz GEJFJIXURDJTPG-UHFFFAOYSA-N 1 2 407.474 3.451 50 5 HGBALO CCOc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000027416710 520664725 /nfs/dbraw/zinc/66/47/25/520664725.db2.gz KKZAJKCVQZRQSG-LJQANCHMSA-N 1 2 410.430 3.255 50 5 HGBALO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c1O ZINC000022591667 559015019 /nfs/dbraw/zinc/01/50/19/559015019.db2.gz BCTMUPBXZXWQOZ-UHFFFAOYSA-N 1 2 422.279 3.394 50 5 HGBALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005659369 560637070 /nfs/dbraw/zinc/63/70/70/560637070.db2.gz JOAFUWRLHAVLLG-UHFFFAOYSA-N 1 2 402.794 3.088 50 5 HGBALO COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000005689677 560785244 /nfs/dbraw/zinc/78/52/44/560785244.db2.gz HYQMGJHJXJARKC-HXUWFJFHSA-N 1 2 419.503 3.256 50 5 HGBALO O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007184796 568473843 /nfs/dbraw/zinc/47/38/43/568473843.db2.gz UKTNKSWUHROXEV-UHFFFAOYSA-N 1 2 415.500 3.040 50 5 HGBALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000095351143 568601063 /nfs/dbraw/zinc/60/10/63/568601063.db2.gz UPJKJEAWJXNEBD-UHFFFAOYSA-N 1 2 418.881 3.013 50 5 HGBALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096316913 568725962 /nfs/dbraw/zinc/72/59/62/568725962.db2.gz YREJNCRCGNIKAZ-UHFFFAOYSA-N 1 2 423.517 3.466 50 5 HGBALO CC[C@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000096317110 568726234 /nfs/dbraw/zinc/72/62/34/568726234.db2.gz GXADANXLKBSKJW-HNNXBMFYSA-N 1 2 411.506 3.466 50 5 HGBALO COc1cc(C)c(C[NH+]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1OC ZINC000021763327 568752132 /nfs/dbraw/zinc/75/21/32/568752132.db2.gz FMKLDICEMVWDMF-UHFFFAOYSA-N 1 2 413.474 3.187 50 5 HGBALO Cn1cc(C(=O)c2ccccc2)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052534286 568769571 /nfs/dbraw/zinc/76/95/71/568769571.db2.gz IPMYWBZDZUFTFF-UHFFFAOYSA-N 1 2 404.470 3.487 50 5 HGBALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012560012 568857312 /nfs/dbraw/zinc/85/73/12/568857312.db2.gz QYQICHLFBDXCQR-KRWDZBQOSA-N 1 2 404.423 3.072 50 5 HGBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010203644 571296560 /nfs/dbraw/zinc/29/65/60/571296560.db2.gz CJZPTSUFPAGSIG-QGZVFWFLSA-N 1 2 424.501 3.465 50 5 HGBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010203644 571296562 /nfs/dbraw/zinc/29/65/62/571296562.db2.gz CJZPTSUFPAGSIG-QGZVFWFLSA-N 1 2 424.501 3.465 50 5 HGBALO O=C(c1ccc([N+](=O)[O-])o1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997254 558982406 /nfs/dbraw/zinc/98/24/06/558982406.db2.gz CWKQZDZLLLTKAB-UHFFFAOYSA-N 1 2 416.459 3.167 50 5 HGBALO CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])o1)C[N@H+](C(C)C)CC2 ZINC000004086908 568940851 /nfs/dbraw/zinc/94/08/51/568940851.db2.gz WQBBZZYWRYZIOG-UHFFFAOYSA-N 1 2 407.448 3.445 50 5 HGBALO CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])o1)C[N@@H+](C(C)C)CC2 ZINC000004086908 568940852 /nfs/dbraw/zinc/94/08/52/568940852.db2.gz WQBBZZYWRYZIOG-UHFFFAOYSA-N 1 2 407.448 3.445 50 5 HGBALO C[N@@H+]1CCc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)sc2C1 ZINC000012786856 568960237 /nfs/dbraw/zinc/96/02/37/568960237.db2.gz KCOXDDLFNZCOGF-UHFFFAOYSA-N 1 2 404.495 3.238 50 5 HGBALO C[N@H+]1CCc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)sc2C1 ZINC000012786856 568960239 /nfs/dbraw/zinc/96/02/39/568960239.db2.gz KCOXDDLFNZCOGF-UHFFFAOYSA-N 1 2 404.495 3.238 50 5 HGBALO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019376383 569420384 /nfs/dbraw/zinc/42/03/84/569420384.db2.gz XDTHRGFNNSRKER-UHFFFAOYSA-N 1 2 411.483 3.255 50 5 HGBALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007200455 132322861 /nfs/dbraw/zinc/32/28/61/132322861.db2.gz HBZVDOQCZPEPKL-UHFFFAOYSA-N 1 2 413.865 3.255 50 5 HGBALO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012537251 132362281 /nfs/dbraw/zinc/36/22/81/132362281.db2.gz PMSNJCNOPYZIRD-INIZCTEOSA-N 1 2 405.458 3.292 50 5 HGBALO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1 ZINC000009197195 535748343 /nfs/dbraw/zinc/74/83/43/535748343.db2.gz VIDZIOOEZJYFOF-UHFFFAOYSA-N 1 2 424.910 3.191 50 5 HGBALO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024209643 559278679 /nfs/dbraw/zinc/27/86/79/559278679.db2.gz BNQYLPKVXMTWOH-UHFFFAOYSA-N 1 2 401.850 3.141 50 5 HGBALO CCc1cc(N(CCC(=O)OC)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000089282885 569057239 /nfs/dbraw/zinc/05/72/39/569057239.db2.gz VLDMEBZHJYVEDH-SFHVURJKSA-N 1 2 414.462 3.163 50 5 HGBALO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000036174112 569104565 /nfs/dbraw/zinc/10/45/65/569104565.db2.gz PTGIQFQHELRGEY-UHFFFAOYSA-N 1 2 408.458 3.398 50 5 HGBALO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)c1 ZINC000040017369 571138657 /nfs/dbraw/zinc/13/86/57/571138657.db2.gz FNHCJRABFSZYFV-UHFFFAOYSA-N 1 2 417.512 3.316 50 5 HGBALO Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000010313203 571300150 /nfs/dbraw/zinc/30/01/50/571300150.db2.gz ZHNYIXLJAKRLFC-UHFFFAOYSA-N 1 2 407.430 3.172 50 5 HGBALO COC(=O)c1cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000012545969 536513129 /nfs/dbraw/zinc/51/31/29/536513129.db2.gz UTDTVPIBHRGSFC-UHFFFAOYSA-N 1 2 407.829 3.496 50 5 HGBALO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182296 559031948 /nfs/dbraw/zinc/03/19/48/559031948.db2.gz BHBJGJZKUKLUFC-SUMWQHHRSA-N 1 2 406.533 3.405 50 5 HGBALO O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000048310251 568436664 /nfs/dbraw/zinc/43/66/64/568436664.db2.gz BZGDBIOKDZGUGN-UHFFFAOYSA-N 1 2 416.441 3.003 50 5 HGBALO Cc1[nH+]c2n(c1CN1CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC1)CCCC2 ZINC000095467516 568624877 /nfs/dbraw/zinc/62/48/77/568624877.db2.gz ZBCGIRINWUHYKI-UHFFFAOYSA-N 1 2 412.519 3.368 50 5 HGBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029284865 568824040 /nfs/dbraw/zinc/82/40/40/568824040.db2.gz HIRDMZJOJFNUOO-UHFFFAOYSA-N 1 2 409.364 3.451 50 5 HGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Br)c1 ZINC000054531741 569288940 /nfs/dbraw/zinc/28/89/40/569288940.db2.gz UARKPVYBZQLJEX-UHFFFAOYSA-N 1 2 419.279 3.118 50 5 HGBALO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019851299 569431111 /nfs/dbraw/zinc/43/11/11/569431111.db2.gz GKTKKLZGWJJYGJ-UHFFFAOYSA-N 1 2 411.483 3.255 50 5 HGBALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000027535194 571049366 /nfs/dbraw/zinc/04/93/66/571049366.db2.gz HXLYYWVGUTTZHJ-UHFFFAOYSA-N 1 2 422.441 3.268 50 5 HGBALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1C ZINC000012515950 132361376 /nfs/dbraw/zinc/36/13/76/132361376.db2.gz YXHRFWPRFHSURK-UHFFFAOYSA-N 1 2 412.490 3.119 50 5 HGBALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1C ZINC000012515950 132361378 /nfs/dbraw/zinc/36/13/78/132361378.db2.gz YXHRFWPRFHSURK-UHFFFAOYSA-N 1 2 412.490 3.119 50 5 HGBALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000024258081 559280168 /nfs/dbraw/zinc/28/01/68/559280168.db2.gz OLVLRZPUNSIXLK-GOSISDBHSA-N 1 2 403.866 3.360 50 5 HGBALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056945177 568821504 /nfs/dbraw/zinc/82/15/04/568821504.db2.gz ODNIOBJJKQDIJX-NRFANRHFSA-N 1 2 420.469 3.481 50 5 HGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000012973687 569405500 /nfs/dbraw/zinc/40/55/00/569405500.db2.gz UZKMCVRKMIRGDI-UHFFFAOYSA-N 1 2 416.522 3.265 50 5 HGBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000019831854 569430922 /nfs/dbraw/zinc/43/09/22/569430922.db2.gz BXASVFQKBLRSFH-UHFFFAOYSA-N 1 2 410.474 3.280 50 5 HGBALO Cc1cc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000010313204 571300167 /nfs/dbraw/zinc/30/01/67/571300167.db2.gz ZCHLGXBVNNOOJF-UHFFFAOYSA-N 1 2 407.430 3.172 50 5 HGBALO CCOC(=O)c1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048299694 568437265 /nfs/dbraw/zinc/43/72/65/568437265.db2.gz UIFBNUIYRUUXBG-GOSISDBHSA-N 1 2 411.414 3.075 50 5 HGBALO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000096278215 568716617 /nfs/dbraw/zinc/71/66/17/568716617.db2.gz GMQRQUMGVYCMAA-IBGZPJMESA-N 1 2 422.485 3.047 50 5 HGBALO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057517103 568848996 /nfs/dbraw/zinc/84/89/96/568848996.db2.gz CIJCUAFFKGEBCR-ZDUSSCGKSA-N 1 2 414.428 3.183 50 5 HGBALO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057561353 568853896 /nfs/dbraw/zinc/85/38/96/568853896.db2.gz QQOZTRPMWFKNCP-HNNXBMFYSA-N 1 2 423.448 3.431 50 5 HGBALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000013040290 569407713 /nfs/dbraw/zinc/40/77/13/569407713.db2.gz UDFPJKOEGFTGHH-HNNXBMFYSA-N 1 2 402.882 3.248 50 5 HGBALO CCOc1cc2c(cc1CNC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000032741041 520791351 /nfs/dbraw/zinc/79/13/51/520791351.db2.gz DWDYIXRJHCRLBO-AWEZNQCLSA-N 1 2 422.441 3.433 50 5 HGBALO CC1CC[NH+](Cc2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CC1 ZINC000032719495 521026037 /nfs/dbraw/zinc/02/60/37/521026037.db2.gz XOTKIXOJGHZOIZ-UHFFFAOYSA-N 1 2 418.475 3.307 50 5 HGBALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000030686075 526657506 /nfs/dbraw/zinc/65/75/06/526657506.db2.gz UUFDCAPIJXZYCK-UHFFFAOYSA-N 1 2 411.849 3.396 50 5 HGBALO O=C(NC1CC1)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000032869561 527495695 /nfs/dbraw/zinc/49/56/95/527495695.db2.gz PFQQQWWPLQWILR-SFHVURJKSA-N 1 2 416.503 3.034 50 5 HGBALO Cc1cc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N ZINC000072308616 558769789 /nfs/dbraw/zinc/76/97/89/558769789.db2.gz JQFAYRWXASGJKF-AWEZNQCLSA-N 1 2 424.457 3.330 50 5 HGBALO Cc1cc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N ZINC000072308616 558769790 /nfs/dbraw/zinc/76/97/90/558769790.db2.gz JQFAYRWXASGJKF-AWEZNQCLSA-N 1 2 424.457 3.330 50 5 HGBALO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000023990266 559187081 /nfs/dbraw/zinc/18/70/81/559187081.db2.gz RHMRSQWOERZIQT-GOSISDBHSA-N 1 2 409.442 3.495 50 5 HGBALO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000023990267 559187088 /nfs/dbraw/zinc/18/70/88/559187088.db2.gz RHMRSQWOERZIQT-SFHVURJKSA-N 1 2 409.442 3.495 50 5 HGBALO COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000005689678 560785228 /nfs/dbraw/zinc/78/52/28/560785228.db2.gz HYQMGJHJXJARKC-FQEVSTJZSA-N 1 2 419.503 3.256 50 5 HGBALO COc1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[NH+]2CCCCC2)cc1 ZINC000049629687 568452714 /nfs/dbraw/zinc/45/27/14/568452714.db2.gz LBGNTBSIXLQSRY-FQEVSTJZSA-N 1 2 413.430 3.498 50 5 HGBALO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c(Cl)c1 ZINC000020178589 568593087 /nfs/dbraw/zinc/59/30/87/568593087.db2.gz IYYKABYVZXLPQK-UHFFFAOYSA-N 1 2 402.886 3.355 50 5 HGBALO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c(Cl)c1 ZINC000020178589 568593088 /nfs/dbraw/zinc/59/30/88/568593088.db2.gz IYYKABYVZXLPQK-UHFFFAOYSA-N 1 2 402.886 3.355 50 5 HGBALO CC[C@@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000096317109 568726262 /nfs/dbraw/zinc/72/62/62/568726262.db2.gz GXADANXLKBSKJW-OAHLLOKOSA-N 1 2 411.506 3.466 50 5 HGBALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000056945294 568821601 /nfs/dbraw/zinc/82/16/01/568821601.db2.gz OJOURMPLCKGEAO-OAQYLSRUSA-N 1 2 420.469 3.481 50 5 HGBALO COc1ccc2c(c1)c(C(=O)C[NH+]1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)n2C ZINC000036108842 569093207 /nfs/dbraw/zinc/09/32/07/569093207.db2.gz RRVICDMQRFPCHZ-UHFFFAOYSA-N 1 2 422.485 3.408 50 5 HGBALO Cc1ccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000006788022 569122255 /nfs/dbraw/zinc/12/22/55/569122255.db2.gz OXYWXNBYXVBTNB-UHFFFAOYSA-N 1 2 401.386 3.463 50 5 HGBALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000012736693 132366359 /nfs/dbraw/zinc/36/63/59/132366359.db2.gz IYJRAUPJHCXTEC-UHFFFAOYSA-N 1 2 405.458 3.212 50 5 HGBALO Cc1nn(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000072312374 558837569 /nfs/dbraw/zinc/83/75/69/558837569.db2.gz OPGLQFZVDPVZEC-UHFFFAOYSA-N 1 2 406.899 3.138 50 5 HGBALO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182292 559031954 /nfs/dbraw/zinc/03/19/54/559031954.db2.gz BHBJGJZKUKLUFC-CXAGYDPISA-N 1 2 406.533 3.405 50 5 HGBALO CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3[nH+]c2N1 ZINC000004786844 559063963 /nfs/dbraw/zinc/06/39/63/559063963.db2.gz NQVLEKWQIBKXCE-HXUWFJFHSA-N 1 2 419.441 3.092 50 5 HGBALO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022474997 568768839 /nfs/dbraw/zinc/76/88/39/568768839.db2.gz UGRKUEHGSCESGL-UHFFFAOYSA-N 1 2 411.505 3.499 50 5 HGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1C ZINC000015543623 568947482 /nfs/dbraw/zinc/94/74/82/568947482.db2.gz CHQWHDBVDMMISC-UHFFFAOYSA-N 1 2 424.501 3.179 50 5 HGBALO CC(C)(C)Oc1cc[nH+]cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000089694335 569262576 /nfs/dbraw/zinc/26/25/76/569262576.db2.gz LPZXIYIZSLAGOU-UHFFFAOYSA-N 1 2 400.435 3.256 50 5 HGBALO O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019792386 569429881 /nfs/dbraw/zinc/42/98/81/569429881.db2.gz WWGLYYFBGKRSDN-QPJJXVBHSA-N 1 2 419.437 3.172 50 5 HGBALO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000040105795 571166495 /nfs/dbraw/zinc/16/64/95/571166495.db2.gz KFBLMHNZTQZSLI-UHFFFAOYSA-N 1 2 405.882 3.324 50 5 HGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1C ZINC000012516022 132361394 /nfs/dbraw/zinc/36/13/94/132361394.db2.gz UZTHXLZJCFCOBZ-UHFFFAOYSA-N 1 2 412.490 3.119 50 5 HGBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c1C ZINC000012516022 132361396 /nfs/dbraw/zinc/36/13/96/132361396.db2.gz UZTHXLZJCFCOBZ-UHFFFAOYSA-N 1 2 412.490 3.119 50 5 HGBALO COCCNc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000018048779 560774101 /nfs/dbraw/zinc/77/41/01/560774101.db2.gz JGWYLOPMMMOKQN-OAHLLOKOSA-N 1 2 409.446 3.330 50 5 HGBALO CC[NH+](CC)Cc1nc(C2(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000103688069 560843932 /nfs/dbraw/zinc/84/39/32/560843932.db2.gz SKBDRAZGRDQARB-XFXZXTDPSA-N 1 2 413.478 3.419 50 5 HGBALO CCOc1ccccc1N1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000029498758 568826921 /nfs/dbraw/zinc/82/69/21/568826921.db2.gz NGVXNSFXYZAZRQ-UHFFFAOYSA-N 1 2 408.462 3.032 50 5 HGBALO Cc1cc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000008549311 571077945 /nfs/dbraw/zinc/07/79/45/571077945.db2.gz JCEQNYYDPNNBID-UHFFFAOYSA-N 1 2 401.386 3.463 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009360892 571251552 /nfs/dbraw/zinc/25/15/52/571251552.db2.gz ZNOADRSMXVDYKA-XRXFAXGQSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009360892 571251553 /nfs/dbraw/zinc/25/15/53/571251553.db2.gz ZNOADRSMXVDYKA-XRXFAXGQSA-N 1 2 417.421 3.008 50 5 HGBALO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000032823971 526164199 /nfs/dbraw/zinc/16/41/99/526164199.db2.gz IWVJPDQZLOEEJQ-HNNXBMFYSA-N 1 2 419.445 3.176 50 5 HGBALO COCCNc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000018048778 560774047 /nfs/dbraw/zinc/77/40/47/560774047.db2.gz JGWYLOPMMMOKQN-HNNXBMFYSA-N 1 2 409.446 3.330 50 5 HGBALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)cc(=O)oc2c1 ZINC000020375702 568601781 /nfs/dbraw/zinc/60/17/81/568601781.db2.gz UMNQNRUUGMFJSD-UHFFFAOYSA-N 1 2 421.453 3.276 50 5 HGBALO O=C(NCC[NH+]1CCOCC1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000020664065 568639544 /nfs/dbraw/zinc/63/95/44/568639544.db2.gz SKPJOMRTRCTGAX-UHFFFAOYSA-N 1 2 421.906 3.461 50 5 HGBALO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 ZINC000095941521 568661961 /nfs/dbraw/zinc/66/19/61/568661961.db2.gz XQPNVOSGAXPIAC-CYBMUJFWSA-N 1 2 416.507 3.347 50 5 HGBALO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 ZINC000095941521 568661962 /nfs/dbraw/zinc/66/19/62/568661962.db2.gz XQPNVOSGAXPIAC-CYBMUJFWSA-N 1 2 416.507 3.347 50 5 HGBALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096316928 568725918 /nfs/dbraw/zinc/72/59/18/568725918.db2.gz BKJZVVCHEJNGPQ-UHFFFAOYSA-N 1 2 423.517 3.466 50 5 HGBALO O=C(NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 ZINC000055545158 568779123 /nfs/dbraw/zinc/77/91/23/568779123.db2.gz FIIHUNZIXYCFAR-UHFFFAOYSA-N 1 2 403.870 3.192 50 5 HGBALO O=C(C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)Nc1ccccc1 ZINC000012614769 568872039 /nfs/dbraw/zinc/87/20/39/568872039.db2.gz RCCHYYVRRQYOBJ-UHFFFAOYSA-N 1 2 416.865 3.081 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000001315671 568913895 /nfs/dbraw/zinc/91/38/95/568913895.db2.gz ZNOADRSMXVDYKA-MHTWAQMVSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000001315671 568913896 /nfs/dbraw/zinc/91/38/96/568913896.db2.gz ZNOADRSMXVDYKA-MHTWAQMVSA-N 1 2 417.421 3.008 50 5 HGBALO Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000006705824 132313267 /nfs/dbraw/zinc/31/32/67/132313267.db2.gz YQZLDHHKBAOAAL-UHFFFAOYSA-N 1 2 411.506 3.287 50 5 HGBALO Cc1[nH+]c2ccccc2n1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008135428 132327772 /nfs/dbraw/zinc/32/77/72/132327772.db2.gz MWIPSUBROVJLDH-UHFFFAOYSA-N 1 2 407.474 3.286 50 5 HGBALO CC(C)NC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000032869559 519717562 /nfs/dbraw/zinc/71/75/62/519717562.db2.gz CGSOQCWUZCULIS-SFHVURJKSA-N 1 2 418.519 3.280 50 5 HGBALO CC(C)NC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000032869558 519717675 /nfs/dbraw/zinc/71/76/75/519717675.db2.gz CGSOQCWUZCULIS-GOSISDBHSA-N 1 2 418.519 3.280 50 5 HGBALO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000032823969 526169358 /nfs/dbraw/zinc/16/93/58/526169358.db2.gz IWVJPDQZLOEEJQ-OAHLLOKOSA-N 1 2 419.445 3.176 50 5 HGBALO CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)[nH+]1 ZINC000004684936 534996767 /nfs/dbraw/zinc/99/67/67/534996767.db2.gz UYBPOZAXBDIQGO-UHFFFAOYSA-N 1 2 401.471 3.352 50 5 HGBALO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182300 559031922 /nfs/dbraw/zinc/03/19/22/559031922.db2.gz BHBJGJZKUKLUFC-DYVFJYSZSA-N 1 2 406.533 3.405 50 5 HGBALO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000024019000 559187569 /nfs/dbraw/zinc/18/75/69/559187569.db2.gz WOISNPMSMFQPBR-IBGZPJMESA-N 1 2 410.430 3.255 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000033770189 559243664 /nfs/dbraw/zinc/24/36/64/559243664.db2.gz NXDUPPXYZDNDIK-NCYKPQTJSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000033770189 559243665 /nfs/dbraw/zinc/24/36/65/559243665.db2.gz NXDUPPXYZDNDIK-NCYKPQTJSA-N 1 2 417.421 3.008 50 5 HGBALO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057517107 568848979 /nfs/dbraw/zinc/84/89/79/568848979.db2.gz CIJCUAFFKGEBCR-CYBMUJFWSA-N 1 2 414.428 3.183 50 5 HGBALO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057554088 568853619 /nfs/dbraw/zinc/85/36/19/568853619.db2.gz YGCKCODLEZCWDL-OAHLLOKOSA-N 1 2 423.448 3.431 50 5 HGBALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012560013 568857202 /nfs/dbraw/zinc/85/72/02/568857202.db2.gz QYQICHLFBDXCQR-QGZVFWFLSA-N 1 2 404.423 3.072 50 5 HGBALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012877087 569013770 /nfs/dbraw/zinc/01/37/70/569013770.db2.gz USTUBIVWSNZVLA-UHFFFAOYSA-N 1 2 422.913 3.301 50 5 HGBALO CSc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012938955 569028117 /nfs/dbraw/zinc/02/81/17/569028117.db2.gz ULYKVFUYULOFQP-SFHVURJKSA-N 1 2 415.515 3.428 50 5 HGBALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004341427 558425039 /nfs/dbraw/zinc/42/50/39/558425039.db2.gz LADOUAAIDVZGHQ-UHFFFAOYSA-N 1 2 406.427 3.455 50 5 HGBALO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182304 559031929 /nfs/dbraw/zinc/03/19/29/559031929.db2.gz BHBJGJZKUKLUFC-GUYCJALGSA-N 1 2 406.533 3.405 50 5 HGBALO CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)n2c3ccccc3[nH+]c2N1 ZINC000004786685 559064158 /nfs/dbraw/zinc/06/41/58/559064158.db2.gz XSUWQDCTWGQXCF-FQEVSTJZSA-N 1 2 419.441 3.092 50 5 HGBALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000024258086 559280269 /nfs/dbraw/zinc/28/02/69/559280269.db2.gz OLVLRZPUNSIXLK-SFHVURJKSA-N 1 2 403.866 3.360 50 5 HGBALO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH+](Cc4cccc([N+](=O)[O-])c4)CC3)cc2)n1 ZINC000048356457 568441250 /nfs/dbraw/zinc/44/12/50/568441250.db2.gz NALRXBUVNLPLEG-UHFFFAOYSA-N 1 2 419.485 3.355 50 5 HGBALO C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057470816 568838954 /nfs/dbraw/zinc/83/89/54/568838954.db2.gz SMTAWUNBEYIRQM-OAHLLOKOSA-N 1 2 423.448 3.431 50 5 HGBALO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057554084 568853719 /nfs/dbraw/zinc/85/37/19/568853719.db2.gz YGCKCODLEZCWDL-HNNXBMFYSA-N 1 2 423.448 3.431 50 5 HGBALO C[C@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000040139247 571189119 /nfs/dbraw/zinc/18/91/19/571189119.db2.gz KKRUHLUAZPTAGV-MRXNPFEDSA-N 1 2 421.523 3.104 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009042781 571215203 /nfs/dbraw/zinc/21/52/03/571215203.db2.gz NXDUPPXYZDNDIK-MHTWAQMVSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009042781 571215204 /nfs/dbraw/zinc/21/52/04/571215204.db2.gz NXDUPPXYZDNDIK-MHTWAQMVSA-N 1 2 417.421 3.008 50 5 HGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1cccc(F)c1 ZINC000012564390 132364279 /nfs/dbraw/zinc/36/42/79/132364279.db2.gz JTWZYANMHISXCL-UHFFFAOYSA-N 1 2 409.421 3.043 50 5 HGBALO CCOc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000027416706 520667733 /nfs/dbraw/zinc/66/77/33/520667733.db2.gz KKZAJKCVQZRQSG-IBGZPJMESA-N 1 2 410.430 3.255 50 5 HGBALO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCOCC2)cc1 ZINC000023105889 559009866 /nfs/dbraw/zinc/00/98/66/559009866.db2.gz VJIASJXSVHWMQY-IBGZPJMESA-N 1 2 403.866 3.360 50 5 HGBALO CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000024019003 559187619 /nfs/dbraw/zinc/18/76/19/559187619.db2.gz WOISNPMSMFQPBR-LJQANCHMSA-N 1 2 410.430 3.255 50 5 HGBALO CC[NH+](CC)Cc1nc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000078714248 560540387 /nfs/dbraw/zinc/54/03/87/560540387.db2.gz SKBDRAZGRDQARB-FMIVXFBMSA-N 1 2 413.478 3.419 50 5 HGBALO CCOC(=O)c1ccnc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000095456934 568618154 /nfs/dbraw/zinc/61/81/54/568618154.db2.gz TXCADFWKLRURFM-AWEZNQCLSA-N 1 2 402.426 3.189 50 5 HGBALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096316919 568726041 /nfs/dbraw/zinc/72/60/41/568726041.db2.gz GJCPOSRKFHPLLG-UHFFFAOYSA-N 1 2 421.501 3.220 50 5 HGBALO Cc1cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000035890265 569064934 /nfs/dbraw/zinc/06/49/34/569064934.db2.gz BZQFIGJORGXFKP-UHFFFAOYSA-N 1 2 421.432 3.462 50 5 HGBALO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000006909171 569178654 /nfs/dbraw/zinc/17/86/54/569178654.db2.gz JJOLJAFYVOJVRX-UHFFFAOYSA-N 1 2 414.443 3.357 50 5 HGBALO C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050177 569211884 /nfs/dbraw/zinc/21/18/84/569211884.db2.gz HNKQEKHDDJERIT-LBPRGKRZSA-N 1 2 406.851 3.473 50 5 HGBALO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Br)cc2)CC1 ZINC000004845989 132290587 /nfs/dbraw/zinc/29/05/87/132290587.db2.gz SCZAVKYSJQFZQE-UHFFFAOYSA-N 1 2 404.264 3.340 50 5 HGBALO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000032210423 526079979 /nfs/dbraw/zinc/07/99/79/526079979.db2.gz WFAJNSYWCWFAAS-UHFFFAOYSA-N 1 2 401.488 3.079 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101407715 560794321 /nfs/dbraw/zinc/79/43/21/560794321.db2.gz NXDUPPXYZDNDIK-XRXFAXGQSA-N 1 2 417.421 3.008 50 5 HGBALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101407715 560794323 /nfs/dbraw/zinc/79/43/23/560794323.db2.gz NXDUPPXYZDNDIK-XRXFAXGQSA-N 1 2 417.421 3.008 50 5 HGBALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096317935 568727035 /nfs/dbraw/zinc/72/70/35/568727035.db2.gz VXKGKPYDZPZEAO-UHFFFAOYSA-N 1 2 411.506 3.330 50 5 HGBALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056945179 568821625 /nfs/dbraw/zinc/82/16/25/568821625.db2.gz ODNIOBJJKQDIJX-OAQYLSRUSA-N 1 2 420.469 3.481 50 5 HGBALO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057475481 568839280 /nfs/dbraw/zinc/83/92/80/568839280.db2.gz MLZRXCGPRJFQPS-UHFFFAOYSA-N 1 2 405.458 3.212 50 5 HGBALO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058160670 568892688 /nfs/dbraw/zinc/89/26/88/568892688.db2.gz URZQLTXIKPIYFW-AWEZNQCLSA-N 1 2 418.881 3.406 50 5 HGBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012765351 568947842 /nfs/dbraw/zinc/94/78/42/568947842.db2.gz YPPBQVQRBIGIGD-ZDUSSCGKSA-N 1 2 414.853 3.460 50 5 HGBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012765351 568947844 /nfs/dbraw/zinc/94/78/44/568947844.db2.gz YPPBQVQRBIGIGD-ZDUSSCGKSA-N 1 2 414.853 3.460 50 5 HGBALO CCC(=O)N1CC[NH+](Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sc(C)cn23)CC1 ZINC000037399748 569297723 /nfs/dbraw/zinc/29/77/23/569297723.db2.gz HMWHSYSDWKZKCI-UHFFFAOYSA-N 1 2 413.503 3.334 50 5 HGBALO Cc1cc(C2=CC[N@H+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N ZINC000072308617 558769623 /nfs/dbraw/zinc/76/96/23/558769623.db2.gz JQFAYRWXASGJKF-CQSZACIVSA-N 1 2 424.457 3.330 50 5 HGBALO Cc1cc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N ZINC000072308617 558769627 /nfs/dbraw/zinc/76/96/27/558769627.db2.gz JQFAYRWXASGJKF-CQSZACIVSA-N 1 2 424.457 3.330 50 5 HGBALO CC1CCN(C[C@@H](CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCC(C)CC2)CC1 ZINC000004776308 559057059 /nfs/dbraw/zinc/05/70/59/559057059.db2.gz WHFSSAKYWSYLOQ-FQEVSTJZSA-N 1 2 423.579 3.201 50 5 HGBALO Cc1onc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000020285399 568596893 /nfs/dbraw/zinc/59/68/93/568596893.db2.gz LIQBVUZFMCEFNE-UHFFFAOYSA-N 1 2 406.442 3.439 50 5 HGBALO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173256 568758485 /nfs/dbraw/zinc/75/84/85/568758485.db2.gz INAMBZYUUMIKNY-UHFFFAOYSA-N 1 2 421.413 3.166 50 5 HGBALO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057452449 568837839 /nfs/dbraw/zinc/83/78/39/568837839.db2.gz ZVHMTLLMDWMQMU-MRXNPFEDSA-N 1 2 405.458 3.292 50 5 HGBALO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000012547421 568851509 /nfs/dbraw/zinc/85/15/09/568851509.db2.gz LKZGBFSSBIHYOJ-UHFFFAOYSA-N 1 2 414.365 3.191 50 5 HGBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012765346 568947748 /nfs/dbraw/zinc/94/77/48/568947748.db2.gz YPPBQVQRBIGIGD-CYBMUJFWSA-N 1 2 414.853 3.460 50 5 HGBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012765346 568947751 /nfs/dbraw/zinc/94/77/51/568947751.db2.gz YPPBQVQRBIGIGD-CYBMUJFWSA-N 1 2 414.853 3.460 50 5 HGBALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000013040291 569407709 /nfs/dbraw/zinc/40/77/09/569407709.db2.gz DUMOYNRQMGGHRC-OAHLLOKOSA-N 1 2 402.882 3.248 50 5 HGBALO C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000040142629 571193300 /nfs/dbraw/zinc/19/33/00/571193300.db2.gz ZTIRJNYVHBRZFY-HUUCEWRRSA-N 1 2 422.445 3.041 50 5 HGBALO O=C(NC1CC1)c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000032869560 527495399 /nfs/dbraw/zinc/49/53/99/527495399.db2.gz PFQQQWWPLQWILR-GOSISDBHSA-N 1 2 416.503 3.034 50 5 HGBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Br)cc1 ZINC000054959696 569368995 /nfs/dbraw/zinc/36/89/95/569368995.db2.gz CQQKNNLFYGKTDM-UHFFFAOYSA-N 1 2 419.279 3.118 50 5 HGBALO Cc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000079111732 569428143 /nfs/dbraw/zinc/42/81/43/569428143.db2.gz KESAGBTYVINRLX-INIZCTEOSA-N 1 2 404.430 3.082 50 5 HGBALO