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O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000430751218 1068551087 /nfs/dbraw/zinc/55/10/87/1068551087.db2.gz TZOJCYLDTKYZGO-DZGCQCFKSA-N 0 0 423.451 -0.016 20 5 HBBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000430751219 1068550806 /nfs/dbraw/zinc/55/08/06/1068550806.db2.gz TZOJCYLDTKYZGO-HIFRSBDPSA-N 0 0 423.451 -0.016 20 5 HBBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000430751220 1068551069 /nfs/dbraw/zinc/55/10/69/1068551069.db2.gz TZOJCYLDTKYZGO-UKRRQHHQSA-N 0 0 423.451 -0.016 20 5 HBBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000430751221 1068550779 /nfs/dbraw/zinc/55/07/79/1068550779.db2.gz TZOJCYLDTKYZGO-ZFWWWQNUSA-N 0 0 423.451 -0.016 20 5 HBBDRN CCOC(=O)[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000431037756 1068570603 /nfs/dbraw/zinc/57/06/03/1068570603.db2.gz PUFYEXQRHMWJRV-LLVKDONJSA-N 0 0 400.369 -0.643 20 5 HBBDRN CCOC(=O)[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000431037757 1068571216 /nfs/dbraw/zinc/57/12/16/1068571216.db2.gz PUFYEXQRHMWJRV-NSHDSACASA-N 0 0 400.369 -0.643 20 5 HBBDRN COC(=O)CC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000431038658 1068571099 /nfs/dbraw/zinc/57/10/99/1068571099.db2.gz UGHVXOZHXMVKEJ-GFCCVEGCSA-N 0 0 414.396 -0.253 20 5 HBBDRN CCOC(=O)[C@@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000431059957 1068572488 /nfs/dbraw/zinc/57/24/88/1068572488.db2.gz DHBMWJIAMWDAKY-LLVKDONJSA-N 0 0 400.369 -0.643 20 5 HBBDRN CCOC(=O)[C@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000431059958 1068572717 /nfs/dbraw/zinc/57/27/17/1068572717.db2.gz DHBMWJIAMWDAKY-NSHDSACASA-N 0 0 400.369 -0.643 20 5 HBBDRN Cn1ccc([C@H]2NC(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000431061830 1068572624 /nfs/dbraw/zinc/57/26/24/1068572624.db2.gz MILCHDCBVQOVPP-CYBMUJFWSA-N 0 0 408.396 -0.100 20 5 HBBDRN Cn1ccc([C@@H]2NC(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000431061831 1068572689 /nfs/dbraw/zinc/57/26/89/1068572689.db2.gz MILCHDCBVQOVPP-ZDUSSCGKSA-N 0 0 408.396 -0.100 20 5 HBBDRN COC(=O)CC[C@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000431062797 1068572453 /nfs/dbraw/zinc/57/24/53/1068572453.db2.gz UEQJXTPJKOVZBV-GFCCVEGCSA-N 0 0 414.396 -0.253 20 5 HBBDRN Cn1ccc([C@H]2NC(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000431156767 1068578667 /nfs/dbraw/zinc/57/86/67/1068578667.db2.gz ODMUSMVOEGVMPP-CYBMUJFWSA-N 0 0 408.396 -0.100 20 5 HBBDRN Cn1ccc([C@@H]2NC(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000431156768 1068578333 /nfs/dbraw/zinc/57/83/33/1068578333.db2.gz ODMUSMVOEGVMPP-ZDUSSCGKSA-N 0 0 408.396 -0.100 20 5 HBBDRN CCOC(=O)[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000431232674 1068591321 /nfs/dbraw/zinc/59/13/21/1068591321.db2.gz QXPIZJDWTMUULO-LLVKDONJSA-N 0 0 400.369 -0.643 20 5 HBBDRN CCOC(=O)[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000431232675 1068591157 /nfs/dbraw/zinc/59/11/57/1068591157.db2.gz QXPIZJDWTMUULO-NSHDSACASA-N 0 0 400.369 -0.643 20 5 HBBDRN Cn1ccc([C@H]2NC(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000431234802 1068591289 /nfs/dbraw/zinc/59/12/89/1068591289.db2.gz WCWOYTJEHZXIMT-CYBMUJFWSA-N 0 0 408.396 -0.100 20 5 HBBDRN Cn1ccc([C@@H]2NC(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000431234804 1068591036 /nfs/dbraw/zinc/59/10/36/1068591036.db2.gz WCWOYTJEHZXIMT-ZDUSSCGKSA-N 0 0 408.396 -0.100 20 5 HBBDRN COC(=O)CC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000431235547 1068591173 /nfs/dbraw/zinc/59/11/73/1068591173.db2.gz XMAYIGURJFTUKL-SNVBAGLBSA-N 0 0 414.396 -0.253 20 5 HBBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000431362622 1068660439 /nfs/dbraw/zinc/66/04/39/1068660439.db2.gz NJIFPRHZZAYLHA-JTQLQIEISA-N 0 0 405.367 -0.069 20 5 HBBDRN 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O=C1NC[C@H]2CN(c3nc(N4CCN5C(=O)NC[C@H]5C4)c([N+](=O)[O-])s3)CCN12 ZINC000431805797 1068994616 /nfs/dbraw/zinc/99/46/16/1068994616.db2.gz WVTQRYSFHPTNAY-UWVGGRQHSA-N 0 0 408.444 -0.521 20 5 HBBDRN O=C1NC[C@@H]2CN(c3nc(N4CCN5C(=O)NC[C@H]5C4)c([N+](=O)[O-])s3)CCN12 ZINC000431805798 1068994545 /nfs/dbraw/zinc/99/45/45/1068994545.db2.gz WVTQRYSFHPTNAY-VHSXEESVSA-N 0 0 408.444 -0.521 20 5 HBBDRN O=C1NC[C@@H]2CN(c3nc(N4CCN5C(=O)NC[C@H]5C4)sc3[N+](=O)[O-])CCN12 ZINC000431805799 1068994759 /nfs/dbraw/zinc/99/47/59/1068994759.db2.gz WVTQRYSFHPTNAY-ZJUUUORDSA-N 0 0 408.444 -0.521 20 5 HBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000431807951 1068994266 /nfs/dbraw/zinc/99/42/66/1068994266.db2.gz IMBFSFNXGFQQPF-UHFFFAOYSA-N 0 0 407.427 -0.117 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000431816231 1068995704 /nfs/dbraw/zinc/99/57/04/1068995704.db2.gz UZPWHBVBTQXQTJ-LLVKDONJSA-N 0 0 404.379 -0.087 20 5 HBBDRN 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CC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 ZINC000437944590 1070302301 /nfs/dbraw/zinc/30/23/01/1070302301.db2.gz XJOSHCVHJDEKHQ-LBPRGKRZSA-N 0 0 404.379 -0.056 20 5 HBBDRN COC(=O)[C@@H](O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000438214085 1070113076 /nfs/dbraw/zinc/11/30/76/1070113076.db2.gz JKPPVTUEMFYFHW-HNNXBMFYSA-N 0 0 405.363 -0.037 20 5 HBBDRN COC(=O)[C@H](O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000438214087 1070112937 /nfs/dbraw/zinc/11/29/37/1070112937.db2.gz JKPPVTUEMFYFHW-OAHLLOKOSA-N 0 0 405.363 -0.037 20 5 HBBDRN CN(CC1(CO)CC1)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000438496687 1070593605 /nfs/dbraw/zinc/59/36/05/1070593605.db2.gz IXZLLISGZUGWMJ-JSGCOSHPSA-N 0 0 413.452 -0.050 20 5 HBBDRN CN(CC1(CO)CC1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000438496688 1070593528 /nfs/dbraw/zinc/59/35/28/1070593528.db2.gz IXZLLISGZUGWMJ-OCCSQVGLSA-N 0 0 413.452 -0.050 20 5 HBBDRN CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438717950 1070171139 /nfs/dbraw/zinc/17/11/39/1070171139.db2.gz BYPMWSXPGLVFSV-HNNXBMFYSA-N 0 0 424.483 -0.118 20 5 HBBDRN CNS(=O)(=O)c1ccccc1N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438717952 1070170907 /nfs/dbraw/zinc/17/09/07/1070170907.db2.gz BYPMWSXPGLVFSV-OAHLLOKOSA-N 0 0 424.483 -0.118 20 5 HBBDRN Cc1nc2n(n1)CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000438728113 1070173472 /nfs/dbraw/zinc/17/34/72/1070173472.db2.gz XZTWJSYMCBYFLQ-UHFFFAOYSA-N 0 0 409.428 -0.013 20 5 HBBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(N2CCNC2=O)CC1 ZINC000438767866 1070180695 /nfs/dbraw/zinc/18/06/95/1070180695.db2.gz BJXJSTSZEAPRJV-UHFFFAOYSA-N 0 0 411.440 -0.111 20 5 HBBDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438780148 1070183335 /nfs/dbraw/zinc/18/33/35/1070183335.db2.gz HDRCJJRRNAIYBQ-AWEZNQCLSA-N 0 0 414.444 -0.236 20 5 HBBDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438780149 1070183145 /nfs/dbraw/zinc/18/31/45/1070183145.db2.gz HDRCJJRRNAIYBQ-CQSZACIVSA-N 0 0 414.444 -0.236 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 ZINC000438791742 1070186531 /nfs/dbraw/zinc/18/65/31/1070186531.db2.gz NWLDETAMMDKFOT-INIZCTEOSA-N 0 0 416.504 -0.109 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 ZINC000438791747 1070186477 /nfs/dbraw/zinc/18/64/77/1070186477.db2.gz NWLDETAMMDKFOT-MRXNPFEDSA-N 0 0 416.504 -0.109 20 5 HBBDRN O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000438793709 1070186585 /nfs/dbraw/zinc/18/65/85/1070186585.db2.gz RCMGDBSCXFVWBP-GFCCVEGCSA-N 0 0 412.366 -0.322 20 5 HBBDRN O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000438793710 1070186596 /nfs/dbraw/zinc/18/65/96/1070186596.db2.gz RCMGDBSCXFVWBP-LBPRGKRZSA-N 0 0 412.366 -0.322 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000438826580 1070190612 /nfs/dbraw/zinc/19/06/12/1070190612.db2.gz FBCFMZIYCXHXDX-INIZCTEOSA-N 0 0 418.458 -0.399 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000438826581 1070190765 /nfs/dbraw/zinc/19/07/65/1070190765.db2.gz FBCFMZIYCXHXDX-MRXNPFEDSA-N 0 0 418.458 -0.399 20 5 HBBDRN CNS(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000438885382 1070831742 /nfs/dbraw/zinc/83/17/42/1070831742.db2.gz JTCCNYHRPUUOEV-UHFFFAOYSA-N 0 0 408.458 -0.423 20 5 HBBDRN CNS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000438889527 1070202706 /nfs/dbraw/zinc/20/27/06/1070202706.db2.gz WMKRPPMTQGDIMY-UHFFFAOYSA-N 0 0 408.458 -0.423 20 5 HBBDRN CNS(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000438892883 1070832968 /nfs/dbraw/zinc/83/29/68/1070832968.db2.gz BGDMIMNLMFFGAT-UHFFFAOYSA-N 0 0 421.501 -0.508 20 5 HBBDRN Cc1c(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000438899312 1070862694 /nfs/dbraw/zinc/86/26/94/1070862694.db2.gz BYESOMOLDYLUCL-UHFFFAOYSA-N 0 0 404.423 -0.025 20 5 HBBDRN CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000438902421 1070865377 /nfs/dbraw/zinc/86/53/77/1070865377.db2.gz NIDBSGPGOSBUJI-UHFFFAOYSA-N 0 0 421.453 -0.074 20 5 HBBDRN CCS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000438903294 1070865691 /nfs/dbraw/zinc/86/56/91/1070865691.db2.gz OTSIJWMPDYELHE-UHFFFAOYSA-N 0 0 421.453 -0.059 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000438927269 1070899506 /nfs/dbraw/zinc/89/95/06/1070899506.db2.gz CRLWJPQADIWGQJ-UHFFFAOYSA-N 0 0 414.440 -0.269 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000438928251 1070899731 /nfs/dbraw/zinc/89/97/31/1070899731.db2.gz FPOUMDXTXKNPPL-UHFFFAOYSA-N 0 0 412.424 -0.282 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000438933511 1070899362 /nfs/dbraw/zinc/89/93/62/1070899362.db2.gz TUJWWGYIXAGYRB-UHFFFAOYSA-N 0 0 413.456 -0.208 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000438943859 1070904695 /nfs/dbraw/zinc/90/46/95/1070904695.db2.gz PQOLKGAMKULSGE-JTQLQIEISA-N 0 0 424.435 -0.023 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000438943861 1070210321 /nfs/dbraw/zinc/21/03/21/1070210321.db2.gz PQOLKGAMKULSGE-SNVBAGLBSA-N 0 0 424.435 -0.023 20 5 HBBDRN CC[C@H](C)[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 ZINC000438982957 1070213710 /nfs/dbraw/zinc/21/37/10/1070213710.db2.gz YSKLHHCLNZMKFC-KBXCAEBGSA-N 0 0 423.470 -0.264 20 5 HBBDRN CC[C@@H](C)[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 ZINC000438982961 1070918281 /nfs/dbraw/zinc/91/82/81/1070918281.db2.gz YSKLHHCLNZMKFC-KDOFPFPSSA-N 0 0 423.470 -0.264 20 5 HBBDRN CC[C@H](C)[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 ZINC000438982962 1070918143 /nfs/dbraw/zinc/91/81/43/1070918143.db2.gz YSKLHHCLNZMKFC-KSSFIOAISA-N 0 0 423.470 -0.264 20 5 HBBDRN CC[C@@H](C)[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 ZINC000438982964 1070213822 /nfs/dbraw/zinc/21/38/22/1070213822.db2.gz YSKLHHCLNZMKFC-RDTXWAMCSA-N 0 0 423.470 -0.264 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000439009728 1070929360 /nfs/dbraw/zinc/92/93/60/1070929360.db2.gz PBEOTDNROHDQKN-UHFFFAOYSA-N 0 0 410.408 -0.412 20 5 HBBDRN CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000439041251 1070936478 /nfs/dbraw/zinc/93/64/78/1070936478.db2.gz KMISINUWKDVDFC-CYBMUJFWSA-N 0 0 414.440 -0.082 20 5 HBBDRN CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000439041252 1070936611 /nfs/dbraw/zinc/93/66/11/1070936611.db2.gz KMISINUWKDVDFC-ZDUSSCGKSA-N 0 0 414.440 -0.082 20 5 HBBDRN CCOC(=O)c1cc(S(=O)(=O)NCCS(=O)(=O)NC)cc([N+](=O)[O-])c1C ZINC000439093226 1070949823 /nfs/dbraw/zinc/94/98/23/1070949823.db2.gz RXEBWFPZTNFJLF-UHFFFAOYSA-N 0 0 409.442 -0.093 20 5 HBBDRN O=C(C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1)N1CCOCC1 ZINC000439101194 1070964671 /nfs/dbraw/zinc/96/46/71/1070964671.db2.gz NWYSRSFWQLKHTP-UHFFFAOYSA-N 0 0 416.394 -0.249 20 5 HBBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000439102369 1070959125 /nfs/dbraw/zinc/95/91/25/1070959125.db2.gz QONNRSASUGVPTR-UHFFFAOYSA-N 0 0 407.383 -0.716 20 5 HBBDRN CNS(=O)(=O)NC1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000439130506 1070234415 /nfs/dbraw/zinc/23/44/15/1070234415.db2.gz KIAOHZUSLUIGOB-UHFFFAOYSA-N 0 0 407.474 -0.475 20 5 HBBDRN Cc1nc2n(n1)CCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000439181253 1070240036 /nfs/dbraw/zinc/24/00/36/1070240036.db2.gz ZWPLREZWZVWYPT-UHFFFAOYSA-N 0 0 409.428 -0.002 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439187896 1070241031 /nfs/dbraw/zinc/24/10/31/1070241031.db2.gz GASFCQUFFOMWHN-UHFFFAOYSA-N 0 0 406.486 -0.015 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000439189880 1071020990 /nfs/dbraw/zinc/02/09/90/1071020990.db2.gz JREGCRRCNCWSFC-UHFFFAOYSA-N 0 0 408.458 -0.190 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000439192460 1070241633 /nfs/dbraw/zinc/24/16/33/1070241633.db2.gz TYHLLMJLJHPSPD-UHFFFAOYSA-N 0 0 408.458 -0.190 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000439193596 1070241738 /nfs/dbraw/zinc/24/17/38/1070241738.db2.gz XOQAOUZVYSYYOK-UHFFFAOYSA-N 0 0 408.458 -0.190 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000439194641 1070242465 /nfs/dbraw/zinc/24/24/65/1070242465.db2.gz XIOXRSMWQBWJFJ-UHFFFAOYSA-N 0 0 408.458 -0.190 20 5 HBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000439208072 1071023153 /nfs/dbraw/zinc/02/31/53/1071023153.db2.gz JHWJGVOQFQRZAU-UHFFFAOYSA-N 0 0 406.486 -0.015 20 5 HBBDRN Cc1c(Br)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1[N+](=O)[O-] ZINC000439225161 1070248773 /nfs/dbraw/zinc/24/87/73/1070248773.db2.gz QMMNSKONWNHKQT-UHFFFAOYSA-N 0 0 409.218 -0.373 20 5 HBBDRN Cc1nc2n(n1)CCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000439272031 1071076282 /nfs/dbraw/zinc/07/62/82/1071076282.db2.gz KIIYHSPYFGCBIE-UHFFFAOYSA-N 0 0 409.428 -0.002 20 5 HBBDRN Cc1nc2n(n1)CCN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000439384469 1070267099 /nfs/dbraw/zinc/26/70/99/1070267099.db2.gz UCOJLJATVSUTAP-UHFFFAOYSA-N 0 0 409.428 -0.002 20 5 HBBDRN Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1C ZINC000439427204 1069585566 /nfs/dbraw/zinc/58/55/66/1069585566.db2.gz XPWRYNMHOPYCDH-UHFFFAOYSA-N 0 0 410.412 -0.330 20 5 HBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000439436931 1070273428 /nfs/dbraw/zinc/27/34/28/1070273428.db2.gz HILJZVQSEHHQOE-GFCCVEGCSA-N 0 0 401.397 -0.186 20 5 HBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000439436932 1070273330 /nfs/dbraw/zinc/27/33/30/1070273330.db2.gz HILJZVQSEHHQOE-LBPRGKRZSA-N 0 0 401.397 -0.186 20 5 HBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439439088 1070273348 /nfs/dbraw/zinc/27/33/48/1070273348.db2.gz LGTZTCDIPARVRT-CYBMUJFWSA-N 0 0 406.438 -0.360 20 5 HBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439439091 1070273365 /nfs/dbraw/zinc/27/33/65/1070273365.db2.gz LGTZTCDIPARVRT-ZDUSSCGKSA-N 0 0 406.438 -0.360 20 5 HBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439448230 1070275040 /nfs/dbraw/zinc/27/50/40/1070275040.db2.gz ZWIBBCSDHGMGCT-LLVKDONJSA-N 0 0 415.380 -0.466 20 5 HBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000439448231 1070274973 /nfs/dbraw/zinc/27/49/73/1070274973.db2.gz ZWIBBCSDHGMGCT-NSHDSACASA-N 0 0 415.380 -0.466 20 5 HBBDRN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC000439457969 1069580934 /nfs/dbraw/zinc/58/09/34/1069580934.db2.gz CNXAOXCZHKSXNR-UHFFFAOYSA-N 0 0 400.395 0.560 20 5 HBBDRN Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000439481288 1070278279 /nfs/dbraw/zinc/27/82/79/1070278279.db2.gz HHTWUWKFGPPVKO-UHFFFAOYSA-N 0 0 410.412 -0.330 20 5 HBBDRN Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000439482073 1069584838 /nfs/dbraw/zinc/58/48/38/1069584838.db2.gz QBZOQMOJXJQMGR-UHFFFAOYSA-N 0 0 410.412 -0.330 20 5 HBBDRN Cc1cc(NC(=O)C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1C ZINC000439485626 1070278788 /nfs/dbraw/zinc/27/87/88/1070278788.db2.gz KJVOQYLPDFJFJK-UHFFFAOYSA-N 0 0 424.439 0.207 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000439819953 1070307260 /nfs/dbraw/zinc/30/72/60/1070307260.db2.gz AVFVQCYXUWCWBK-UHFFFAOYSA-N 0 0 405.458 -0.327 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000439838948 1070307977 /nfs/dbraw/zinc/30/79/77/1070307977.db2.gz FBJBAWSQOHSRRB-UHFFFAOYSA-N 0 0 400.413 -0.060 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000439841922 1070309255 /nfs/dbraw/zinc/30/92/55/1070309255.db2.gz FTRPXQATTYWJIF-LLVKDONJSA-N 0 0 401.397 -0.138 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000439841927 1070310851 /nfs/dbraw/zinc/31/08/51/1070310851.db2.gz FTRPXQATTYWJIF-NSHDSACASA-N 0 0 401.397 -0.138 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000439853444 1070310952 /nfs/dbraw/zinc/31/09/52/1070310952.db2.gz KAVJSUCUOVXNHA-GFCCVEGCSA-N 0 0 415.424 -0.060 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000439853445 1070310786 /nfs/dbraw/zinc/31/07/86/1070310786.db2.gz KAVJSUCUOVXNHA-LBPRGKRZSA-N 0 0 415.424 -0.060 20 5 HBBDRN CCS(=O)(=O)N1CC(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000439962853 1070318811 /nfs/dbraw/zinc/31/88/11/1070318811.db2.gz QUWFPVIOWSBUST-UHFFFAOYSA-N 0 0 420.469 -0.438 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000440014299 1071294019 /nfs/dbraw/zinc/29/40/19/1071294019.db2.gz RCHRHWOMEAXNQV-UHFFFAOYSA-N 0 0 417.444 -0.119 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000440027293 1070328893 /nfs/dbraw/zinc/32/88/93/1070328893.db2.gz NGUDJCAVWNQXAY-LLVKDONJSA-N 0 0 405.367 -0.899 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000440027302 1070328531 /nfs/dbraw/zinc/32/85/31/1070328531.db2.gz NGUDJCAVWNQXAY-NSHDSACASA-N 0 0 405.367 -0.899 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000440053081 1070329692 /nfs/dbraw/zinc/32/96/92/1070329692.db2.gz QNGDEZIFSMOACW-CYBMUJFWSA-N 0 0 421.410 -0.215 20 5 HBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000440053088 1070329787 /nfs/dbraw/zinc/32/97/87/1070329787.db2.gz QNGDEZIFSMOACW-ZDUSSCGKSA-N 0 0 421.410 -0.215 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1(CO)CCOCC1 ZINC000440077934 1070334089 /nfs/dbraw/zinc/33/40/89/1070334089.db2.gz KZBANAMKQQAAGS-UHFFFAOYSA-N 0 0 416.456 -0.039 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1(CO)CCOCC1 ZINC000440080673 1070334067 /nfs/dbraw/zinc/33/40/67/1070334067.db2.gz QXOMBLPWZGKWKL-UHFFFAOYSA-N 0 0 416.456 -0.039 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000440161328 1071305562 /nfs/dbraw/zinc/30/55/62/1071305562.db2.gz NLTKVAKMLYWPSL-UHFFFAOYSA-N 0 0 413.456 -0.458 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000440163924 1070341843 /nfs/dbraw/zinc/34/18/43/1070341843.db2.gz WMDSQWXZQUJWAD-SECBINFHSA-N 0 0 408.458 -0.295 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000440163925 1070342020 /nfs/dbraw/zinc/34/20/20/1070342020.db2.gz WMDSQWXZQUJWAD-VIFPVBQESA-N 0 0 408.458 -0.295 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000440169827 1070345305 /nfs/dbraw/zinc/34/53/05/1070345305.db2.gz POAUNONHSUNSMX-CYBMUJFWSA-N 0 0 420.469 -0.587 20 5 HBBDRN CNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000440169828 1070345010 /nfs/dbraw/zinc/34/50/10/1070345010.db2.gz POAUNONHSUNSMX-ZDUSSCGKSA-N 0 0 420.469 -0.587 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1(CO)CCOCC1 ZINC000440230276 1070349575 /nfs/dbraw/zinc/34/95/75/1070349575.db2.gz GMYUUCOWSSIJRJ-UHFFFAOYSA-N 0 0 416.456 -0.039 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000440410303 1070376964 /nfs/dbraw/zinc/37/69/64/1070376964.db2.gz BUVATEMDZPQOFP-KRWDZBQOSA-N 0 0 413.442 -0.054 20 5 HBBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000440410306 1070376886 /nfs/dbraw/zinc/37/68/86/1070376886.db2.gz BUVATEMDZPQOFP-QGZVFWFLSA-N 0 0 413.442 -0.054 20 5 HBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492297 1071338479 /nfs/dbraw/zinc/33/84/79/1071338479.db2.gz IZDGSKDEDWVBLI-HNNXBMFYSA-N 0 0 419.486 -0.292 20 5 HBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492298 1071338332 /nfs/dbraw/zinc/33/83/32/1071338332.db2.gz IZDGSKDEDWVBLI-OAHLLOKOSA-N 0 0 419.486 -0.292 20 5 HBBDRN CN(CCCNC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503879 1071339025 /nfs/dbraw/zinc/33/90/25/1071339025.db2.gz KQWVRCLPKKIKGZ-CYBMUJFWSA-N 0 0 414.488 -0.126 20 5 HBBDRN CN(CCCNC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503880 1071338508 /nfs/dbraw/zinc/33/85/08/1071338508.db2.gz KQWVRCLPKKIKGZ-ZDUSSCGKSA-N 0 0 414.488 -0.126 20 5 HBBDRN CCOc1ccc(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000440532727 1071347123 /nfs/dbraw/zinc/34/71/23/1071347123.db2.gz GMMFDLGTJYOBMT-UHFFFAOYSA-N 0 0 415.472 -0.162 20 5 HBBDRN CNC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440591083 1071359364 /nfs/dbraw/zinc/35/93/64/1071359364.db2.gz OCQUHCMGRAAOKZ-UHFFFAOYSA-N 0 0 416.481 -0.093 20 5 HBBDRN CNC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000440591241 1071359466 /nfs/dbraw/zinc/35/94/66/1071359466.db2.gz OXFDATBZITWRFY-UHFFFAOYSA-N 0 0 416.481 -0.093 20 5 HBBDRN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3cc([N+](=O)[O-])ccc3n1)c(=O)n2C ZINC000440619267 1069544476 /nfs/dbraw/zinc/54/44/76/1069544476.db2.gz BWCBROWPJQTRHB-UHFFFAOYSA-N 0 0 409.362 0.529 20 5 HBBDRN COc1ccc(OCCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000441257093 1068974935 /nfs/dbraw/zinc/97/49/35/1068974935.db2.gz HNCVAIRMNQDDAW-UHFFFAOYSA-N 0 0 422.438 -0.015 20 5 HBBDRN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000441437757 1070642015 /nfs/dbraw/zinc/64/20/15/1070642015.db2.gz QJBPWDLWRKTAJU-UHFFFAOYSA-N 0 0 411.386 -0.215 20 5 HBBDRN COc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000441580660 1070676958 /nfs/dbraw/zinc/67/69/58/1070676958.db2.gz JKAXQTNISWFREV-UHFFFAOYSA-N 0 0 403.399 -0.022 20 5 HBBDRN COC(=O)Cn1cc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1 ZINC000441624598 1070686741 /nfs/dbraw/zinc/68/67/41/1070686741.db2.gz RISQAZFDWPEYDX-UHFFFAOYSA-N 0 0 404.339 -0.599 20 5 HBBDRN C[C@H](CC(N)=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000441808555 1070718309 /nfs/dbraw/zinc/71/83/09/1070718309.db2.gz NJCJNBZHCXIHTE-GFCCVEGCSA-N 0 0 415.472 -0.119 20 5 HBBDRN C[C@@H](CC(N)=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000441808558 1069224421 /nfs/dbraw/zinc/22/44/21/1069224421.db2.gz NJCJNBZHCXIHTE-LBPRGKRZSA-N 0 0 415.472 -0.119 20 5 HBBDRN COC(=O)Cn1cc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 ZINC000441864927 1070787879 /nfs/dbraw/zinc/78/78/79/1070787879.db2.gz BXTDRLTYYQIZKH-UHFFFAOYSA-N 0 0 413.368 -0.391 20 5 HBBDRN COC(=O)Cn1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)nn1 ZINC000441999716 1070807621 /nfs/dbraw/zinc/80/76/21/1070807621.db2.gz HNMNOHVKEDJZHL-LLVKDONJSA-N 0 0 406.355 -0.127 20 5 HBBDRN COC(=O)Cn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)nn1 ZINC000441999718 1070807593 /nfs/dbraw/zinc/80/75/93/1070807593.db2.gz HNMNOHVKEDJZHL-NSHDSACASA-N 0 0 406.355 -0.127 20 5 HBBDRN COC(=O)Cn1cc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nn1 ZINC000442016713 1070819559 /nfs/dbraw/zinc/81/95/59/1070819559.db2.gz HIDYMOGMRWQFRG-UHFFFAOYSA-N 0 0 402.323 -0.728 20 5 HBBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442020178 1070829793 /nfs/dbraw/zinc/82/97/93/1070829793.db2.gz QGXPPYKBRAJJIW-LLVKDONJSA-N 0 0 419.350 -0.543 20 5 HBBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442020183 1070830259 /nfs/dbraw/zinc/83/02/59/1070830259.db2.gz QGXPPYKBRAJJIW-NSHDSACASA-N 0 0 419.350 -0.543 20 5 HBBDRN COC(=O)Cn1cc(CNC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nn1 ZINC000442023198 1070832063 /nfs/dbraw/zinc/83/20/63/1070832063.db2.gz KCDCIIQBBFJODC-SECBINFHSA-N 0 0 416.350 -0.340 20 5 HBBDRN 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O=C(Cn1ncsc1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442907399 1070948481 /nfs/dbraw/zinc/94/84/81/1070948481.db2.gz ZWWXVWVJRLCXSU-UHFFFAOYSA-N 0 0 413.437 -0.254 20 5 HBBDRN O=C(Cn1ncsc1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000442913854 1070944671 /nfs/dbraw/zinc/94/46/71/1070944671.db2.gz QFGQZICQBLGMLK-UHFFFAOYSA-N 0 0 413.437 -0.254 20 5 HBBDRN NS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442956395 1070950507 /nfs/dbraw/zinc/95/05/07/1070950507.db2.gz JDCFXRANHYQOKI-UHFFFAOYSA-N 0 0 420.469 -0.457 20 5 HBBDRN NS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000442957435 1071268640 /nfs/dbraw/zinc/26/86/40/1071268640.db2.gz SWUXTNOCJRXLSX-UHFFFAOYSA-N 0 0 420.469 -0.457 20 5 HBBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000442995306 1070955181 /nfs/dbraw/zinc/95/51/81/1070955181.db2.gz VSIIIPVLZGACMF-KBPBESRZSA-N 0 0 405.454 -0.629 20 5 HBBDRN 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/nfs/dbraw/zinc/20/66/71/1071206671.db2.gz YURJPXTWZOBYFI-GJZGRUSLSA-N 0 0 419.481 -0.488 20 5 HBBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000444036788 1071206104 /nfs/dbraw/zinc/20/61/04/1071206104.db2.gz YURJPXTWZOBYFI-HUUCEWRRSA-N 0 0 419.481 -0.488 20 5 HBBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000444036789 1071205999 /nfs/dbraw/zinc/20/59/99/1071205999.db2.gz YURJPXTWZOBYFI-LSDHHAIUSA-N 0 0 419.481 -0.488 20 5 HBBDRN Cn1ccnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000444097020 1071217805 /nfs/dbraw/zinc/21/78/05/1071217805.db2.gz MQVKCDXROIFXDK-CYBMUJFWSA-N 0 0 407.408 0.480 20 5 HBBDRN Cn1ccnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000444097021 1071217944 /nfs/dbraw/zinc/21/79/44/1071217944.db2.gz MQVKCDXROIFXDK-ZDUSSCGKSA-N 0 0 407.408 0.480 20 5 HBBDRN CCn1cc(S(=O)(=O)N2CCN(Cc3nc(COC)no3)CC2)c([N+](=O)[O-])n1 ZINC000444214959 1071233710 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423.407 -0.673 20 5 HBBDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000444513415 1071328422 /nfs/dbraw/zinc/32/84/22/1071328422.db2.gz RQCJMHHITXXYPK-UHFFFAOYSA-N 0 0 403.399 0.046 20 5 HBBDRN Cn1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O ZINC000444583186 1071335046 /nfs/dbraw/zinc/33/50/46/1071335046.db2.gz QVPUFEALHRPPPI-UHFFFAOYSA-N 0 0 423.407 -0.673 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444611547 1071337698 /nfs/dbraw/zinc/33/76/98/1071337698.db2.gz QPPXTYVUMMYNPQ-INIZCTEOSA-N 0 0 420.422 -0.136 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444611551 1071337247 /nfs/dbraw/zinc/33/72/47/1071337247.db2.gz QPPXTYVUMMYNPQ-MRXNPFEDSA-N 0 0 420.422 -0.136 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444613572 1071337739 /nfs/dbraw/zinc/33/77/39/1071337739.db2.gz UPTHRYMXJYPKPQ-INIZCTEOSA-N 0 0 420.422 -0.136 20 5 HBBDRN 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Cc1nc([N+](=O)[O-])c(-c2noc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)n1C ZINC000445621983 1071422743 /nfs/dbraw/zinc/42/27/43/1071422743.db2.gz VGOBDDDBYBCATJ-UHFFFAOYSA-N 0 0 401.343 -0.518 20 5 HBBDRN Cn1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000446022246 1071454270 /nfs/dbraw/zinc/45/42/70/1071454270.db2.gz UDWVBDCASOHOTA-UHFFFAOYSA-N 0 0 423.455 -0.018 20 5 HBBDRN Cn1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000446022977 1068545595 /nfs/dbraw/zinc/54/55/95/1068545595.db2.gz YBIZWPLHSIPMCQ-UHFFFAOYSA-N 0 0 423.455 -0.018 20 5 HBBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000446167575 1071470339 /nfs/dbraw/zinc/47/03/39/1071470339.db2.gz IYNSBDIDUPHBQO-AWEZNQCLSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000446167576 1071470294 /nfs/dbraw/zinc/47/02/94/1071470294.db2.gz IYNSBDIDUPHBQO-CQSZACIVSA-N 0 0 424.479 -0.036 20 5 HBBDRN COC(=O)[C@]1(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000446438450 1071489496 /nfs/dbraw/zinc/48/94/96/1071489496.db2.gz PPFDGQLKUMYYSJ-HNNXBMFYSA-N 0 0 401.397 -0.336 20 5 HBBDRN COC(=O)[C@@]1(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000446438451 1071489334 /nfs/dbraw/zinc/48/93/34/1071489334.db2.gz PPFDGQLKUMYYSJ-OAHLLOKOSA-N 0 0 401.397 -0.336 20 5 HBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000446513613 1071494887 /nfs/dbraw/zinc/49/48/87/1071494887.db2.gz GGQCPBGRPPJJLQ-LLVKDONJSA-N 0 0 401.397 -0.450 20 5 HBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000446513614 1071494841 /nfs/dbraw/zinc/49/48/41/1071494841.db2.gz GGQCPBGRPPJJLQ-NSHDSACASA-N 0 0 401.397 -0.450 20 5 HBBDRN COC(=O)[C@]1(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000446715224 1071511856 /nfs/dbraw/zinc/51/18/56/1071511856.db2.gz RJDVLEBSECSCMT-HNNXBMFYSA-N 0 0 401.397 -0.289 20 5 HBBDRN COC(=O)[C@@]1(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000446715226 1071511779 /nfs/dbraw/zinc/51/17/79/1071511779.db2.gz RJDVLEBSECSCMT-OAHLLOKOSA-N 0 0 401.397 -0.289 20 5 HBBDRN COC(=O)[C@]1(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000446715780 1071511863 /nfs/dbraw/zinc/51/18/63/1071511863.db2.gz VCMGSTVHERXUGQ-HNNXBMFYSA-N 0 0 401.397 -0.289 20 5 HBBDRN COC(=O)[C@@]1(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000446715782 1071511794 /nfs/dbraw/zinc/51/17/94/1071511794.db2.gz VCMGSTVHERXUGQ-OAHLLOKOSA-N 0 0 401.397 -0.289 20 5 HBBDRN Cc1nn(C)c(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000446779670 1071520601 /nfs/dbraw/zinc/52/06/01/1071520601.db2.gz AZLFTTNCBDOFQT-UHFFFAOYSA-N 0 0 424.439 -0.022 20 5 HBBDRN CCn1nccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000446783598 1071521162 /nfs/dbraw/zinc/52/11/62/1071521162.db2.gz FSABYVNPWMHHGV-UHFFFAOYSA-N 0 0 410.412 -0.156 20 5 HBBDRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000446828152 1071526579 /nfs/dbraw/zinc/52/65/79/1071526579.db2.gz YOJYMPUBNOWHSX-UHFFFAOYSA-N 0 0 402.346 0.574 20 5 HBBDRN CN1CCN(S(=O)(=O)c2ccc(NCC3(CO)COC3)c([N+](=O)[O-])c2)CC1 ZINC000446876728 1071529300 /nfs/dbraw/zinc/52/93/00/1071529300.db2.gz UPFHHHNITVXFSG-UHFFFAOYSA-N 0 0 400.457 -0.048 20 5 HBBDRN CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CN4CCN3CC4)c([N+](=O)[O-])c2)CC1 ZINC000446883720 1071530888 /nfs/dbraw/zinc/53/08/88/1071530888.db2.gz LEQIEPNDCCVKHN-HNNXBMFYSA-N 0 0 424.527 -0.057 20 5 HBBDRN CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CN4CCN3CC4)c([N+](=O)[O-])c2)CC1 ZINC000446883722 1071530797 /nfs/dbraw/zinc/53/07/97/1071530797.db2.gz LEQIEPNDCCVKHN-OAHLLOKOSA-N 0 0 424.527 -0.057 20 5 HBBDRN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c[nH]1 ZINC000446888681 1071531505 /nfs/dbraw/zinc/53/15/05/1071531505.db2.gz LSWYLERGJOKULZ-UHFFFAOYSA-N 0 0 407.408 -0.115 20 5 HBBDRN O=C(Cn1cnnn1)N1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446899942 1071530039 /nfs/dbraw/zinc/53/00/39/1071530039.db2.gz VHTLLXGGQFSMIT-UHFFFAOYSA-N 0 0 414.386 -0.488 20 5 HBBDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000447019527 1069538066 /nfs/dbraw/zinc/53/80/66/1069538066.db2.gz CQPROPLRHHWDPP-UHFFFAOYSA-N 0 0 400.395 0.403 20 5 HBBDRN O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCN2C1=O ZINC000447036299 1071540004 /nfs/dbraw/zinc/54/00/04/1071540004.db2.gz DQTQUUUMQQZWRL-SECBINFHSA-N 0 0 422.341 -0.055 20 5 HBBDRN O=C1NC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCN2C1=O ZINC000447036300 1071540024 /nfs/dbraw/zinc/54/00/24/1071540024.db2.gz DQTQUUUMQQZWRL-VIFPVBQESA-N 0 0 422.341 -0.055 20 5 HBBDRN COC(=O)COc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000447077364 1071542545 /nfs/dbraw/zinc/54/25/45/1071542545.db2.gz KSVBLSRQGLMWRS-ZDUSSCGKSA-N 0 0 416.408 -0.081 20 5 HBBDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000447179769 1071552417 /nfs/dbraw/zinc/55/24/17/1071552417.db2.gz AIJUYCUWCNOZOV-UHFFFAOYSA-N 0 0 404.470 -0.225 20 5 HBBDRN CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000447189392 1071550628 /nfs/dbraw/zinc/55/06/28/1071550628.db2.gz AZDYOSWGAFWEEG-UHFFFAOYSA-N 0 0 406.486 -0.014 20 5 HBBDRN CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000447197683 1071553420 /nfs/dbraw/zinc/55/34/20/1071553420.db2.gz CIEDTNJIAPUUNC-UHFFFAOYSA-N 0 0 406.486 -0.014 20 5 HBBDRN C[C@@H](O)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447609466 1068990741 /nfs/dbraw/zinc/99/07/41/1068990741.db2.gz MCSDMNBEGLRFSA-BZPMIXESSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@@H](O)CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447609467 1068990474 /nfs/dbraw/zinc/99/04/74/1068990474.db2.gz MCSDMNBEGLRFSA-DYEKYZERSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@H](O)CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447609468 1068990771 /nfs/dbraw/zinc/99/07/71/1068990771.db2.gz MCSDMNBEGLRFSA-OBJOEFQTSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@H](O)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447609469 1068990651 /nfs/dbraw/zinc/99/06/51/1068990651.db2.gz MCSDMNBEGLRFSA-SCRDCRAPSA-N 0 0 401.441 -0.004 20 5 HBBDRN COCCNS(=O)(=O)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1OC ZINC000447616108 1068989386 /nfs/dbraw/zinc/98/93/86/1068989386.db2.gz WAXGFFCCOCUAOC-UHFFFAOYSA-N 0 0 414.400 -0.242 20 5 HBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000447743929 1069001482 /nfs/dbraw/zinc/00/14/82/1069001482.db2.gz IUNCJFPGUSIIHI-KRWDZBQOSA-N 0 0 401.335 -0.609 20 5 HBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000447743930 1069001517 /nfs/dbraw/zinc/00/15/17/1069001517.db2.gz IUNCJFPGUSIIHI-QGZVFWFLSA-N 0 0 401.335 -0.609 20 5 HBBDRN NC(=O)c1ccc(SCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000447744368 1069001467 /nfs/dbraw/zinc/00/14/67/1069001467.db2.gz JVMLIZDERDUJQO-INIZCTEOSA-N 0 0 407.408 -0.014 20 5 HBBDRN NC(=O)c1ccc(SCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000447744370 1069001386 /nfs/dbraw/zinc/00/13/86/1069001386.db2.gz JVMLIZDERDUJQO-MRXNPFEDSA-N 0 0 407.408 -0.014 20 5 HBBDRN COc1ccc(C(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000447750254 1069002896 /nfs/dbraw/zinc/00/28/96/1069002896.db2.gz IKOAXCHEBNAMQP-KRWDZBQOSA-N 0 0 405.367 -0.466 20 5 HBBDRN COc1ccc(C(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000447750255 1069002992 /nfs/dbraw/zinc/00/29/92/1069002992.db2.gz IKOAXCHEBNAMQP-QGZVFWFLSA-N 0 0 405.367 -0.466 20 5 HBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000447756772 1069005499 /nfs/dbraw/zinc/00/54/99/1069005499.db2.gz HENZNCGPRHSQLO-KRWDZBQOSA-N 0 0 403.351 -0.479 20 5 HBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000447756773 1069005626 /nfs/dbraw/zinc/00/56/26/1069005626.db2.gz HENZNCGPRHSQLO-QGZVFWFLSA-N 0 0 403.351 -0.479 20 5 HBBDRN O=C(NCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000447757074 1069004862 /nfs/dbraw/zinc/00/48/62/1069004862.db2.gz HQOAOVYLZDYSPU-KRWDZBQOSA-N 0 0 404.383 -0.405 20 5 HBBDRN O=C(NCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000447757078 1069004516 /nfs/dbraw/zinc/00/45/16/1069004516.db2.gz HQOAOVYLZDYSPU-QGZVFWFLSA-N 0 0 404.383 -0.405 20 5 HBBDRN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447771789 1069007830 /nfs/dbraw/zinc/00/78/30/1069007830.db2.gz FYYVVFHJCKSLMR-JTQLQIEISA-N 0 0 408.458 -0.731 20 5 HBBDRN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000447771793 1069007713 /nfs/dbraw/zinc/00/77/13/1069007713.db2.gz FYYVVFHJCKSLMR-SNVBAGLBSA-N 0 0 408.458 -0.731 20 5 HBBDRN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447774957 1069008914 /nfs/dbraw/zinc/00/89/14/1069008914.db2.gz BHOFXFVWFHJZQQ-JTQLQIEISA-N 0 0 422.485 -0.194 20 5 HBBDRN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447774958 1069008993 /nfs/dbraw/zinc/00/89/93/1069008993.db2.gz BHOFXFVWFHJZQQ-SNVBAGLBSA-N 0 0 422.485 -0.194 20 5 HBBDRN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447783189 1069010495 /nfs/dbraw/zinc/01/04/95/1069010495.db2.gz NQKSUKAXGHLBBY-JTQLQIEISA-N 0 0 408.458 -0.731 20 5 HBBDRN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447783190 1069010463 /nfs/dbraw/zinc/01/04/63/1069010463.db2.gz NQKSUKAXGHLBBY-SNVBAGLBSA-N 0 0 408.458 -0.731 20 5 HBBDRN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000447791382 1069011796 /nfs/dbraw/zinc/01/17/96/1069011796.db2.gz IZHSNHAULFIXFZ-JTQLQIEISA-N 0 0 408.458 -0.731 20 5 HBBDRN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000447791383 1069011710 /nfs/dbraw/zinc/01/17/10/1069011710.db2.gz IZHSNHAULFIXFZ-SNVBAGLBSA-N 0 0 408.458 -0.731 20 5 HBBDRN 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C[C@@](O)(Cn1ccccc1=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000468297843 1072059667 /nfs/dbraw/zinc/05/96/67/1072059667.db2.gz ADBRHDCPCSZDAK-QGZVFWFLSA-N 0 0 424.435 -0.398 20 5 HBBDRN C[C@](O)(Cn1ccccc1=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000468338164 1072062940 /nfs/dbraw/zinc/06/29/40/1072062940.db2.gz WEPUZZSQAMMREQ-KRWDZBQOSA-N 0 0 424.435 -0.398 20 5 HBBDRN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000468338165 1072062808 /nfs/dbraw/zinc/06/28/08/1072062808.db2.gz WEPUZZSQAMMREQ-QGZVFWFLSA-N 0 0 424.435 -0.398 20 5 HBBDRN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000468356049 1072063640 /nfs/dbraw/zinc/06/36/40/1072063640.db2.gz DPBWZBMWBBGDHR-AAEUAGOBSA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000468356050 1072063656 /nfs/dbraw/zinc/06/36/56/1072063656.db2.gz DPBWZBMWBBGDHR-DGCLKSJQSA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000468356051 1072063507 /nfs/dbraw/zinc/06/35/07/1072063507.db2.gz DPBWZBMWBBGDHR-WCQYABFASA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000468356052 1072063372 /nfs/dbraw/zinc/06/33/72/1072063372.db2.gz DPBWZBMWBBGDHR-YPMHNXCESA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000468358821 1072063920 /nfs/dbraw/zinc/06/39/20/1072063920.db2.gz WATCJPVZUHFINX-AAEUAGOBSA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000468358823 1072064125 /nfs/dbraw/zinc/06/41/25/1072064125.db2.gz WATCJPVZUHFINX-DGCLKSJQSA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000468358825 1072063999 /nfs/dbraw/zinc/06/39/99/1072063999.db2.gz WATCJPVZUHFINX-WCQYABFASA-N 0 0 402.429 -0.336 20 5 HBBDRN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000468358826 1072063933 /nfs/dbraw/zinc/06/39/33/1072063933.db2.gz WATCJPVZUHFINX-YPMHNXCESA-N 0 0 402.429 -0.336 20 5 HBBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000468376460 1072064641 /nfs/dbraw/zinc/06/46/41/1072064641.db2.gz DCFOEMAWHCBHDV-NEPJUHHUSA-N 0 0 417.492 -0.141 20 5 HBBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000468376461 1072064452 /nfs/dbraw/zinc/06/44/52/1072064452.db2.gz DCFOEMAWHCBHDV-NWDGAFQWSA-N 0 0 417.492 -0.141 20 5 HBBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000468376462 1072064584 /nfs/dbraw/zinc/06/45/84/1072064584.db2.gz DCFOEMAWHCBHDV-RYUDHWBXSA-N 0 0 417.492 -0.141 20 5 HBBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000468376463 1072064689 /nfs/dbraw/zinc/06/46/89/1072064689.db2.gz DCFOEMAWHCBHDV-VXGBXAGGSA-N 0 0 417.492 -0.141 20 5 HBBDRN CCOC(=O)c1ccnc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000468428593 1072067962 /nfs/dbraw/zinc/06/79/62/1072067962.db2.gz QOYCAUVYEYTRLZ-UHFFFAOYSA-N 0 0 411.400 -0.205 20 5 HBBDRN CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000468428786 1072068189 /nfs/dbraw/zinc/06/81/89/1072068189.db2.gz SMKNMLJXGKJXLP-UHFFFAOYSA-N 0 0 416.441 -0.373 20 5 HBBDRN O=C(Cn1ccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])n1)N1CCOCC1 ZINC000468445067 1072070632 /nfs/dbraw/zinc/07/06/32/1072070632.db2.gz SKZSBBFCBDYLLU-UHFFFAOYSA-N 0 0 416.394 -0.095 20 5 HBBDRN O=C(Cn1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)n1)N1CCOCC1 ZINC000468452796 1072071395 /nfs/dbraw/zinc/07/13/95/1072071395.db2.gz WETXRLSDFKYDAU-UHFFFAOYSA-N 0 0 416.394 -0.095 20 5 HBBDRN O=C(NCCCCCO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000468490086 1072074406 /nfs/dbraw/zinc/07/44/06/1072074406.db2.gz VGVVUUZWGVCUQB-JSGCOSHPSA-N 0 0 401.441 -0.003 20 5 HBBDRN O=C(NCCCCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000468490087 1072074353 /nfs/dbraw/zinc/07/43/53/1072074353.db2.gz VGVVUUZWGVCUQB-OCCSQVGLSA-N 0 0 401.441 -0.003 20 5 HBBDRN Cn1cc(C[C@H](O)C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000468525356 1072075985 /nfs/dbraw/zinc/07/59/85/1072075985.db2.gz VXNVLMVEHHDDCR-HNNXBMFYSA-N 0 0 411.440 -0.137 20 5 HBBDRN Cn1cc(C[C@@H](O)C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000468525357 1072075851 /nfs/dbraw/zinc/07/58/51/1072075851.db2.gz VXNVLMVEHHDDCR-OAHLLOKOSA-N 0 0 411.440 -0.137 20 5 HBBDRN Cc1c(C(=O)NCCC(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468553919 1072077693 /nfs/dbraw/zinc/07/76/93/1072077693.db2.gz MALRTWWMVOQKBC-UHFFFAOYSA-N 0 0 400.413 -0.471 20 5 HBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000468569330 1072078108 /nfs/dbraw/zinc/07/81/08/1072078108.db2.gz IDBVBUSGWNDXRP-CORIIIEPSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000468569331 1072078252 /nfs/dbraw/zinc/07/82/52/1072078252.db2.gz IDBVBUSGWNDXRP-OSAQELSMSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000468569332 1072078333 /nfs/dbraw/zinc/07/83/33/1072078333.db2.gz IDBVBUSGWNDXRP-WHOFXGATSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000468569333 1072078153 /nfs/dbraw/zinc/07/81/53/1072078153.db2.gz IDBVBUSGWNDXRP-ZLDLUXBVSA-N 0 0 413.452 -0.052 20 5 HBBDRN Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000468576705 1072078696 /nfs/dbraw/zinc/07/86/96/1072078696.db2.gz KLRIUUVXHBEWPA-INIZCTEOSA-N 0 0 423.451 -0.235 20 5 HBBDRN Cn1cc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000468576708 1072078670 /nfs/dbraw/zinc/07/86/70/1072078670.db2.gz KLRIUUVXHBEWPA-MRXNPFEDSA-N 0 0 423.451 -0.235 20 5 HBBDRN Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000468578080 1072079081 /nfs/dbraw/zinc/07/90/81/1072079081.db2.gz NLMTXCNPGLIMFO-INIZCTEOSA-N 0 0 423.451 -0.235 20 5 HBBDRN Cn1cc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000468578081 1072078701 /nfs/dbraw/zinc/07/87/01/1072078701.db2.gz NLMTXCNPGLIMFO-MRXNPFEDSA-N 0 0 423.451 -0.235 20 5 HBBDRN Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000468586186 1072079656 /nfs/dbraw/zinc/07/96/56/1072079656.db2.gz MRLFXIZRNVPCGP-HNNXBMFYSA-N 0 0 423.451 -0.235 20 5 HBBDRN Cn1cc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000468586187 1072079164 /nfs/dbraw/zinc/07/91/64/1072079164.db2.gz MRLFXIZRNVPCGP-OAHLLOKOSA-N 0 0 423.451 -0.235 20 5 HBBDRN CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000468608613 1072080498 /nfs/dbraw/zinc/08/04/98/1072080498.db2.gz UVAJRKTXDXMTGE-UHFFFAOYSA-N 0 0 413.456 -0.555 20 5 HBBDRN 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CS(=O)(=O)c1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000485171502 1070437129 /nfs/dbraw/zinc/43/71/29/1070437129.db2.gz YNRSUWYIGGXWHZ-OLZOCXBDSA-N 0 0 419.481 -0.722 20 5 HBBDRN CS(=O)(=O)c1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000485171503 1070437222 /nfs/dbraw/zinc/43/72/22/1070437222.db2.gz YNRSUWYIGGXWHZ-QWHCGFSZSA-N 0 0 419.481 -0.722 20 5 HBBDRN CS(=O)(=O)c1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000485171504 1070437240 /nfs/dbraw/zinc/43/72/40/1070437240.db2.gz YNRSUWYIGGXWHZ-STQMWFEESA-N 0 0 419.481 -0.722 20 5 HBBDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cs1 ZINC000485221524 1070440028 /nfs/dbraw/zinc/44/00/28/1070440028.db2.gz FVNBPVODSQBNFK-UHFFFAOYSA-N 0 0 401.430 -0.516 20 5 HBBDRN C[C@@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485263497 1070443771 /nfs/dbraw/zinc/44/37/71/1070443771.db2.gz WSUQLJUKYAJWNG-CYBMUJFWSA-N 0 0 415.472 -0.419 20 5 HBBDRN 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CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000497574805 1071804601 /nfs/dbraw/zinc/80/46/01/1071804601.db2.gz LOYBPGVREWKORP-HNNXBMFYSA-N 0 0 408.411 -0.062 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000497574806 1071804498 /nfs/dbraw/zinc/80/44/98/1071804498.db2.gz LOYBPGVREWKORP-OAHLLOKOSA-N 0 0 408.411 -0.062 20 5 HBBDRN CCS(=O)(=O)NCCCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000497588126 1071805806 /nfs/dbraw/zinc/80/58/06/1071805806.db2.gz CJOZBRNVLBBDAU-UHFFFAOYSA-N 0 0 402.429 -0.221 20 5 HBBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 ZINC000497628174 1071810119 /nfs/dbraw/zinc/81/01/19/1071810119.db2.gz OIVOVLNQQDFLLP-UHFFFAOYSA-N 0 0 408.396 -0.299 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000497691323 1071813236 /nfs/dbraw/zinc/81/32/36/1071813236.db2.gz CJBKFUISTSLMTE-FZMZJTMJSA-N 0 0 415.424 -0.354 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000497691326 1071813364 /nfs/dbraw/zinc/81/33/64/1071813364.db2.gz CJBKFUISTSLMTE-RISCZKNCSA-N 0 0 415.424 -0.354 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000497695640 1071813789 /nfs/dbraw/zinc/81/37/89/1071813789.db2.gz FUQRJOYIUMUMBS-OLZOCXBDSA-N 0 0 401.397 -0.602 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000497695641 1071814033 /nfs/dbraw/zinc/81/40/33/1071814033.db2.gz FUQRJOYIUMUMBS-STQMWFEESA-N 0 0 401.397 -0.602 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000497696270 1071813830 /nfs/dbraw/zinc/81/38/30/1071813830.db2.gz MATLSDYIGNQWAM-KBPBESRZSA-N 0 0 415.424 -0.212 20 5 HBBDRN COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000497696271 1071813980 /nfs/dbraw/zinc/81/39/80/1071813980.db2.gz MATLSDYIGNQWAM-KGLIPLIRSA-N 0 0 415.424 -0.212 20 5 HBBDRN C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000497942592 1071835305 /nfs/dbraw/zinc/83/53/05/1071835305.db2.gz AFBSJEJNMVMEME-JTQLQIEISA-N 0 0 401.397 -0.420 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000497942593 1071835387 /nfs/dbraw/zinc/83/53/87/1071835387.db2.gz AFBSJEJNMVMEME-SNVBAGLBSA-N 0 0 401.397 -0.420 20 5 HBBDRN CCS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000498068622 1071843482 /nfs/dbraw/zinc/84/34/82/1071843482.db2.gz VIKUSCNZKBYSBJ-UHFFFAOYSA-N 0 0 414.440 -0.173 20 5 HBBDRN CN1C(=O)NC2(CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1=O ZINC000498146951 1071850257 /nfs/dbraw/zinc/85/02/57/1071850257.db2.gz MREWBULRYLDCBR-UHFFFAOYSA-N 0 0 415.362 -0.266 20 5 HBBDRN CN1C(=O)NC2(CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC000498152346 1071851150 /nfs/dbraw/zinc/85/11/50/1071851150.db2.gz CNGBIYVNWPFLGJ-UHFFFAOYSA-N 0 0 417.378 -0.137 20 5 HBBDRN CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O ZINC000498152749 1071851921 /nfs/dbraw/zinc/85/19/21/1071851921.db2.gz YBBWDHSVHSKSGP-UHFFFAOYSA-N 0 0 409.380 -0.639 20 5 HBBDRN CN1C(=O)NC2(CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000498154578 1071852001 /nfs/dbraw/zinc/85/20/01/1071852001.db2.gz SMLUEHYFESFFNS-UHFFFAOYSA-N 0 0 418.410 -0.063 20 5 HBBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000498186860 1071857314 /nfs/dbraw/zinc/85/73/14/1071857314.db2.gz CFBKDGOBWNRKCD-UHFFFAOYSA-N 0 0 412.472 -0.452 20 5 HBBDRN Cn1c(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000498195798 1071860119 /nfs/dbraw/zinc/86/01/19/1071860119.db2.gz MRLKRWFLBARGHP-UHFFFAOYSA-N 0 0 400.461 -0.817 20 5 HBBDRN O=C(CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 ZINC000498329606 1071894531 /nfs/dbraw/zinc/89/45/31/1071894531.db2.gz KGMGIOOMYBMPGL-UHFFFAOYSA-N 0 0 418.454 -0.183 20 5 HBBDRN CS(=O)(=O)N1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498330077 1071894609 /nfs/dbraw/zinc/89/46/09/1071894609.db2.gz NYCQOVVBWPESLQ-UHFFFAOYSA-N 0 0 413.456 -0.066 20 5 HBBDRN CC(C)NC(=O)CN(C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498335606 1071896690 /nfs/dbraw/zinc/89/66/90/1071896690.db2.gz KZVHDNLBEOKHCI-UHFFFAOYSA-N 0 0 415.472 -0.554 20 5 HBBDRN CS(=O)(=O)N1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498341461 1071897203 /nfs/dbraw/zinc/89/72/03/1071897203.db2.gz ABZOWBHSUDKSNB-UHFFFAOYSA-N 0 0 413.456 -0.112 20 5 HBBDRN CCNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498346039 1071899272 /nfs/dbraw/zinc/89/92/72/1071899272.db2.gz PFDDTEHCVRWYNO-UHFFFAOYSA-N 0 0 406.443 -0.326 20 5 HBBDRN CNC(=O)CN1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498350986 1071899388 /nfs/dbraw/zinc/89/93/88/1071899388.db2.gz AMSVOCSQXRQEBE-UHFFFAOYSA-N 0 0 406.443 -0.279 20 5 HBBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498357494 1071901042 /nfs/dbraw/zinc/90/10/42/1071901042.db2.gz YNXAUKLUQSRLAU-CYBMUJFWSA-N 0 0 407.383 -0.716 20 5 HBBDRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498357500 1071901027 /nfs/dbraw/zinc/90/10/27/1071901027.db2.gz YNXAUKLUQSRLAU-ZDUSSCGKSA-N 0 0 407.383 -0.716 20 5 HBBDRN CS(=O)(=O)N1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498413644 1071906781 /nfs/dbraw/zinc/90/67/81/1071906781.db2.gz KXOWUONRYBQDSV-CYBMUJFWSA-N 0 0 413.456 -0.066 20 5 HBBDRN CS(=O)(=O)N1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498413645 1071906965 /nfs/dbraw/zinc/90/69/65/1071906965.db2.gz KXOWUONRYBQDSV-ZDUSSCGKSA-N 0 0 413.456 -0.066 20 5 HBBDRN COCCN(CC(=O)N(C)C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498432415 1071911210 /nfs/dbraw/zinc/91/12/10/1071911210.db2.gz CTTHPODNQRZRSI-UHFFFAOYSA-N 0 0 416.456 -0.174 20 5 HBBDRN COCCN(CC(=O)N(C)C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498433546 1071911128 /nfs/dbraw/zinc/91/11/28/1071911128.db2.gz MTNHKIKNHXMUDM-UHFFFAOYSA-N 0 0 416.456 -0.174 20 5 HBBDRN CC(C)NS(=O)(=O)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498493589 1071917640 /nfs/dbraw/zinc/91/76/40/1071917640.db2.gz JTFGTLQDDDQUOL-UHFFFAOYSA-N 0 0 401.445 -0.162 20 5 HBBDRN CCS(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498499142 1071921646 /nfs/dbraw/zinc/92/16/46/1071921646.db2.gz YJGXQSGOQFORQM-UHFFFAOYSA-N 0 0 413.456 -0.112 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000498672586 1071949983 /nfs/dbraw/zinc/94/99/83/1071949983.db2.gz CRZZCIAQEMIUAH-LLVKDONJSA-N 0 0 422.394 -0.254 20 5 HBBDRN C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000498672589 1071950004 /nfs/dbraw/zinc/95/00/04/1071950004.db2.gz CRZZCIAQEMIUAH-NSHDSACASA-N 0 0 422.394 -0.254 20 5 HBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN3C(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000498771562 1071969578 /nfs/dbraw/zinc/96/95/78/1071969578.db2.gz TUPAGWYBHOZIKR-LLVKDONJSA-N 0 0 411.440 -0.123 20 5 HBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000498771563 1071969692 /nfs/dbraw/zinc/96/96/92/1071969692.db2.gz TUPAGWYBHOZIKR-NSHDSACASA-N 0 0 411.440 -0.123 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000498775588 1071970158 /nfs/dbraw/zinc/97/01/58/1071970158.db2.gz DLXKQDDMTKYSHY-GFCCVEGCSA-N 0 0 414.440 -0.685 20 5 HBBDRN C[C@H](O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000498775592 1071970237 /nfs/dbraw/zinc/97/02/37/1071970237.db2.gz DLXKQDDMTKYSHY-LBPRGKRZSA-N 0 0 414.440 -0.685 20 5 HBBDRN Cc1c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498776610 1071970822 /nfs/dbraw/zinc/97/08/22/1071970822.db2.gz WGGGOZGODLYJLL-JTQLQIEISA-N 0 0 400.413 -0.784 20 5 HBBDRN Cc1c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498776611 1071970924 /nfs/dbraw/zinc/97/09/24/1071970924.db2.gz WGGGOZGODLYJLL-SNVBAGLBSA-N 0 0 400.413 -0.784 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498778147 1071971362 /nfs/dbraw/zinc/97/13/62/1071971362.db2.gz SZLKUZMERAQRON-GFCCVEGCSA-N 0 0 414.440 -0.685 20 5 HBBDRN C[C@H](O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498778149 1071971341 /nfs/dbraw/zinc/97/13/41/1071971341.db2.gz SZLKUZMERAQRON-LBPRGKRZSA-N 0 0 414.440 -0.685 20 5 HBBDRN C[C@@H](O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000498794949 1071975813 /nfs/dbraw/zinc/97/58/13/1071975813.db2.gz ABUXSLCPOOWVEY-GFCCVEGCSA-N 0 0 414.440 -0.733 20 5 HBBDRN C[C@H](O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000498794950 1071975820 /nfs/dbraw/zinc/97/58/20/1071975820.db2.gz ABUXSLCPOOWVEY-LBPRGKRZSA-N 0 0 414.440 -0.733 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498851183 1071984701 /nfs/dbraw/zinc/98/47/01/1071984701.db2.gz CTTSMRZBZJSWST-AWEZNQCLSA-N 0 0 415.424 -0.195 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498851189 1071984670 /nfs/dbraw/zinc/98/46/70/1071984670.db2.gz CTTSMRZBZJSWST-CQSZACIVSA-N 0 0 415.424 -0.195 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000498851458 1071985491 /nfs/dbraw/zinc/98/54/91/1071985491.db2.gz QQUYSSIKSFMASQ-CYBMUJFWSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000498851468 1071985171 /nfs/dbraw/zinc/98/51/71/1071985171.db2.gz QQUYSSIKSFMASQ-ZDUSSCGKSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000498853629 1071985259 /nfs/dbraw/zinc/98/52/59/1071985259.db2.gz JRGKKWYGXITIOD-AWEZNQCLSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000498853631 1071985990 /nfs/dbraw/zinc/98/59/90/1071985990.db2.gz JRGKKWYGXITIOD-CQSZACIVSA-N 0 0 415.424 -0.028 20 5 HBBDRN NS(=O)(=O)c1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000498853982 1071985822 /nfs/dbraw/zinc/98/58/22/1071985822.db2.gz ZHHHDTLDUGNQFP-UHFFFAOYSA-N 0 0 413.456 -0.777 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498854780 1071985903 /nfs/dbraw/zinc/98/59/03/1071985903.db2.gz MRFMBMSDCOSTRN-CYBMUJFWSA-N 0 0 401.397 -0.336 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498854797 1071985852 /nfs/dbraw/zinc/98/58/52/1071985852.db2.gz MRFMBMSDCOSTRN-ZDUSSCGKSA-N 0 0 401.397 -0.336 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000498875606 1071988246 /nfs/dbraw/zinc/98/82/46/1071988246.db2.gz NJVYIZBEKYLUHK-CYBMUJFWSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000498875608 1071988284 /nfs/dbraw/zinc/98/82/84/1071988284.db2.gz NJVYIZBEKYLUHK-ZDUSSCGKSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498875746 1071988310 /nfs/dbraw/zinc/98/83/10/1071988310.db2.gz VUBBJCGJQTUCHR-GFCCVEGCSA-N 0 0 401.397 -0.336 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498875747 1070655235 /nfs/dbraw/zinc/65/52/35/1070655235.db2.gz VUBBJCGJQTUCHR-LBPRGKRZSA-N 0 0 401.397 -0.336 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000498877012 1071988850 /nfs/dbraw/zinc/98/88/50/1071988850.db2.gz RXJOBTQIYOQRFH-AWEZNQCLSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000498877013 1071988734 /nfs/dbraw/zinc/98/87/34/1071988734.db2.gz RXJOBTQIYOQRFH-CQSZACIVSA-N 0 0 415.424 -0.028 20 5 HBBDRN COCCNC(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498880739 1071990387 /nfs/dbraw/zinc/99/03/87/1071990387.db2.gz OKFNNJBUJGWKQX-UHFFFAOYSA-N 0 0 401.445 -0.873 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000498880762 1071990350 /nfs/dbraw/zinc/99/03/50/1071990350.db2.gz OWTOOAGVURSWJQ-CYBMUJFWSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000498880763 1071990541 /nfs/dbraw/zinc/99/05/41/1071990541.db2.gz OWTOOAGVURSWJQ-ZDUSSCGKSA-N 0 0 415.424 -0.028 20 5 HBBDRN NS(=O)(=O)c1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000498902751 1071991644 /nfs/dbraw/zinc/99/16/44/1071991644.db2.gz XGIPRHLZLRQUBN-UHFFFAOYSA-N 0 0 413.456 -0.777 20 5 HBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000498914448 1071994487 /nfs/dbraw/zinc/99/44/87/1071994487.db2.gz YSYDIIITLUOOTR-CYBMUJFWSA-N 0 0 415.424 -0.028 20 5 HBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000498914449 1071994630 /nfs/dbraw/zinc/99/46/30/1071994630.db2.gz YSYDIIITLUOOTR-ZDUSSCGKSA-N 0 0 415.424 -0.028 20 5 HBBDRN O=C(CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000498968591 1072001920 /nfs/dbraw/zinc/00/19/20/1072001920.db2.gz OGDINOZXCWCCHV-CVEARBPZSA-N 0 0 412.468 -0.301 20 5 HBBDRN O=C(CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000498968592 1072002021 /nfs/dbraw/zinc/00/20/21/1072002021.db2.gz OGDINOZXCWCCHV-HOTGVXAUSA-N 0 0 412.468 -0.301 20 5 HBBDRN O=C(CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000498968593 1072002215 /nfs/dbraw/zinc/00/22/15/1072002215.db2.gz OGDINOZXCWCCHV-HZPDHXFCSA-N 0 0 412.468 -0.301 20 5 HBBDRN O=C(CCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000498968594 1072002147 /nfs/dbraw/zinc/00/21/47/1072002147.db2.gz OGDINOZXCWCCHV-JKSUJKDBSA-N 0 0 412.468 -0.301 20 5 HBBDRN COc1ccc(OCCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000498972239 1071999604 /nfs/dbraw/zinc/99/96/04/1071999604.db2.gz ZMURSKWPHUFUMF-CVEARBPZSA-N 0 0 415.468 -0.242 20 5 HBBDRN 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O=[N+]([O-])c1ccc(-c2nnc(CN3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)o2)cc1 ZINC000498976119 1072004789 /nfs/dbraw/zinc/00/47/89/1072004789.db2.gz UVWQJTHTFGWXJZ-HUUCEWRRSA-N 0 0 423.451 -0.080 20 5 HBBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)o2)cc1 ZINC000498976120 1072004690 /nfs/dbraw/zinc/00/46/90/1072004690.db2.gz UVWQJTHTFGWXJZ-LSDHHAIUSA-N 0 0 423.451 -0.080 20 5 HBBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000498980676 1072002811 /nfs/dbraw/zinc/00/28/11/1072002811.db2.gz SQDUTSCCXXCQFM-DAXOMENPSA-N 0 0 412.468 -0.303 20 5 HBBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000498980677 1072003404 /nfs/dbraw/zinc/00/34/04/1072003404.db2.gz SQDUTSCCXXCQFM-KCXAZCMYSA-N 0 0 412.468 -0.303 20 5 HBBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000498980678 1072003199 /nfs/dbraw/zinc/00/31/99/1072003199.db2.gz SQDUTSCCXXCQFM-UHOFOFEASA-N 0 0 412.468 -0.303 20 5 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500829140 1069351163 /nfs/dbraw/zinc/35/11/63/1069351163.db2.gz RNCUTVHZYGIJTB-CYBMUJFWSA-N 0 0 401.445 -0.247 20 5 HBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500829177 1069351214 /nfs/dbraw/zinc/35/12/14/1069351214.db2.gz RNCUTVHZYGIJTB-ZDUSSCGKSA-N 0 0 401.445 -0.247 20 5 HBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500840161 1069351586 /nfs/dbraw/zinc/35/15/86/1069351586.db2.gz DVSAQEGGTNBZJD-AWEZNQCLSA-N 0 0 414.440 -0.591 20 5 HBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500840163 1069351881 /nfs/dbraw/zinc/35/18/81/1069351881.db2.gz DVSAQEGGTNBZJD-CQSZACIVSA-N 0 0 414.440 -0.591 20 5 HBBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500842207 1069352192 /nfs/dbraw/zinc/35/21/92/1069352192.db2.gz HXHHMXXPCBLBKC-AWEZNQCLSA-N 0 0 401.445 -0.166 20 5 HBBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000500842210 1069352139 /nfs/dbraw/zinc/35/21/39/1069352139.db2.gz HXHHMXXPCBLBKC-CQSZACIVSA-N 0 0 401.445 -0.166 20 5 HBBDRN NS(=O)(=O)CCN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000500938430 1069449998 /nfs/dbraw/zinc/44/99/98/1069449998.db2.gz YZYWDYDICJTBHF-UHFFFAOYSA-N 0 0 406.486 -0.627 20 5 HBBDRN CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000501126257 1069551694 /nfs/dbraw/zinc/55/16/94/1069551694.db2.gz CXAVXNVWOPTVEV-UHFFFAOYSA-N 0 0 407.475 -0.361 20 5 HBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000501198127 1069554325 /nfs/dbraw/zinc/55/43/25/1069554325.db2.gz NBTXDMZXDDOWDO-UHFFFAOYSA-N 0 0 406.486 -0.241 20 5 HBBDRN COc1ccc(S(=O)(=O)N2CCN(CCNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000501233504 1069555165 /nfs/dbraw/zinc/55/51/65/1069555165.db2.gz FNDYRGPCNBVUBQ-UHFFFAOYSA-N 0 0 422.485 -0.541 20 5 HBBDRN CS(=O)(=O)NCCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000501263052 1069555721 /nfs/dbraw/zinc/55/57/21/1069555721.db2.gz DBSCNAYFXDOSAI-UHFFFAOYSA-N 0 0 406.486 -0.331 20 5 HBBDRN Cc1nc(N[C@@H](C)CN2CCOCC2)nc(N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000501287626 1069557231 /nfs/dbraw/zinc/55/72/31/1069557231.db2.gz DBWWIRDEKUERDG-CABCVRRESA-N 0 0 423.518 -0.198 20 5 HBBDRN Cc1nc(N[C@@H](C)CN2CCOCC2)nc(N[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000501287627 1069557274 /nfs/dbraw/zinc/55/72/74/1069557274.db2.gz DBWWIRDEKUERDG-GJZGRUSLSA-N 0 0 423.518 -0.198 20 5 HBBDRN Cc1nc(N[C@H](C)CN2CCOCC2)nc(N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000501287628 1069557219 /nfs/dbraw/zinc/55/72/19/1069557219.db2.gz DBWWIRDEKUERDG-HUUCEWRRSA-N 0 0 423.518 -0.198 20 5 HBBDRN Cc1nc(N[C@H](C)CN2CCOCC2)nc(N[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000501287629 1069557251 /nfs/dbraw/zinc/55/72/51/1069557251.db2.gz DBWWIRDEKUERDG-LSDHHAIUSA-N 0 0 423.518 -0.198 20 5 HBBDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000501297503 1069556785 /nfs/dbraw/zinc/55/67/85/1069556785.db2.gz HXLSVGHRVDZELY-UHFFFAOYSA-N 0 0 415.410 -0.016 20 5 HBBDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000501323488 1069557543 /nfs/dbraw/zinc/55/75/43/1069557543.db2.gz MNBOGLLJPIKCNZ-UHFFFAOYSA-N 0 0 419.438 -0.090 20 5 HBBDRN COC(=O)CCN1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000501343152 1069559194 /nfs/dbraw/zinc/55/91/94/1069559194.db2.gz WOMRYVDLJLBYEN-BXUZGUMPSA-N 0 0 406.395 -0.007 20 5 HBBDRN COC(=O)CCN1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000501343153 1069559059 /nfs/dbraw/zinc/55/90/59/1069559059.db2.gz WOMRYVDLJLBYEN-FZMZJTMJSA-N 0 0 406.395 -0.007 20 5 HBBDRN COC(=O)CCN1CC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000501343154 1069559676 /nfs/dbraw/zinc/55/96/76/1069559676.db2.gz WOMRYVDLJLBYEN-RISCZKNCSA-N 0 0 406.395 -0.007 20 5 HBBDRN COC(=O)CCN1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000501343155 1069559583 /nfs/dbraw/zinc/55/95/83/1069559583.db2.gz WOMRYVDLJLBYEN-SMDDNHRTSA-N 0 0 406.395 -0.007 20 5 HBBDRN COC(=O)CCN1CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000501646263 1069570272 /nfs/dbraw/zinc/57/02/72/1069570272.db2.gz POCLACAWIMSWGH-AWEZNQCLSA-N 0 0 421.410 -0.326 20 5 HBBDRN COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000501646267 1069570366 /nfs/dbraw/zinc/57/03/66/1069570366.db2.gz POCLACAWIMSWGH-CQSZACIVSA-N 0 0 421.410 -0.326 20 5 HBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000501699147 1069573196 /nfs/dbraw/zinc/57/31/96/1069573196.db2.gz HYAYBSDICIPJRG-INIZCTEOSA-N 0 0 414.484 -0.406 20 5 HBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000501699151 1069573375 /nfs/dbraw/zinc/57/33/75/1069573375.db2.gz HYAYBSDICIPJRG-MRXNPFEDSA-N 0 0 414.484 -0.406 20 5 HBBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000501721749 1069573365 /nfs/dbraw/zinc/57/33/65/1069573365.db2.gz NKMANPYKYFMBJY-UHFFFAOYSA-N 0 0 406.399 -0.690 20 5 HBBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000501722995 1069573181 /nfs/dbraw/zinc/57/31/81/1069573181.db2.gz BUFAYAMFVMKBLW-UHFFFAOYSA-N 0 0 402.415 -0.083 20 5 HBBDRN COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000501818008 1069575264 /nfs/dbraw/zinc/57/52/64/1069575264.db2.gz CRUBXGXOONUAGL-GFCCVEGCSA-N 0 0 422.394 -0.387 20 5 HBBDRN COC(=O)CCN1CC[C@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000501818009 1069575316 /nfs/dbraw/zinc/57/53/16/1069575316.db2.gz CRUBXGXOONUAGL-LBPRGKRZSA-N 0 0 422.394 -0.387 20 5 HBBDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000501870948 1069576768 /nfs/dbraw/zinc/57/67/68/1069576768.db2.gz CUWHHPBZHIXWSX-UHFFFAOYSA-N 0 0 417.426 -0.114 20 5 HBBDRN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000501913732 1069578197 /nfs/dbraw/zinc/57/81/97/1069578197.db2.gz KUHHAOOSFWSWOJ-AAEUAGOBSA-N 0 0 400.413 -0.347 20 5 HBBDRN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000501952497 1069578865 /nfs/dbraw/zinc/57/88/65/1069578865.db2.gz FMTPNWTYACYXAB-UHFFFAOYSA-N 0 0 404.430 -0.253 20 5 HBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000501988450 1069581289 /nfs/dbraw/zinc/58/12/89/1069581289.db2.gz CIHAZHFLTJTMIE-UHFFFAOYSA-N 0 0 404.430 -0.335 20 5 HBBDRN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000502013342 1069585006 /nfs/dbraw/zinc/58/50/06/1069585006.db2.gz HWVWPYJZJFFPDN-UHFFFAOYSA-N 0 0 417.425 -0.678 20 5 HBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1 ZINC000502022292 1069586179 /nfs/dbraw/zinc/58/61/79/1069586179.db2.gz CEJXGZSFFRXGNN-UHFFFAOYSA-N 0 0 411.440 -0.123 20 5 HBBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)NCCN1CCOCC1 ZINC000502076871 1069588856 /nfs/dbraw/zinc/58/88/56/1069588856.db2.gz DDQNRTOAEOBLTQ-UHFFFAOYSA-N 0 0 412.468 -0.143 20 5 HBBDRN NC(=O)[C@H]1CCCN1C(=O)NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000502105164 1069404022 /nfs/dbraw/zinc/40/40/22/1069404022.db2.gz GZGPRJRBFCQRNQ-MRVPVSSYSA-N 0 0 416.188 -0.295 20 5 HBBDRN NC(=O)[C@@H]1CCCN1C(=O)NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000502105165 1069403966 /nfs/dbraw/zinc/40/39/66/1069403966.db2.gz GZGPRJRBFCQRNQ-QMMMGPOBSA-N 0 0 416.188 -0.295 20 5 HBBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000502111486 1069591841 /nfs/dbraw/zinc/59/18/41/1069591841.db2.gz STWDOPVCAFNOBW-GFCCVEGCSA-N 0 0 418.859 -0.259 20 5 HBBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000502111487 1069591784 /nfs/dbraw/zinc/59/17/84/1069591784.db2.gz STWDOPVCAFNOBW-LBPRGKRZSA-N 0 0 418.859 -0.259 20 5 HBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000502116498 1069590711 /nfs/dbraw/zinc/59/07/11/1069590711.db2.gz XYXCFGQKHRMUIF-LLVKDONJSA-N 0 0 401.422 -0.231 20 5 HBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000502116499 1069591281 /nfs/dbraw/zinc/59/12/81/1069591281.db2.gz XYXCFGQKHRMUIF-NSHDSACASA-N 0 0 401.422 -0.231 20 5 HBBDRN Cn1c(N)c(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(=O)n(C)c1=O ZINC000502135659 1069246818 /nfs/dbraw/zinc/24/68/18/1069246818.db2.gz MSYBTNFLMCBGFS-UHFFFAOYSA-N 0 0 414.172 -0.619 20 5 HBBDRN CN(CC(=O)N1CCOCC1)C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000502137602 1069594813 /nfs/dbraw/zinc/59/48/13/1069594813.db2.gz IATNCHPQHTUZAI-UHFFFAOYSA-N 0 0 417.216 -0.164 20 5 HBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000502220481 1069597332 /nfs/dbraw/zinc/59/73/32/1069597332.db2.gz SOANDKXYZGCZPM-UHFFFAOYSA-N 0 0 411.440 -0.152 20 5 HBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000502240551 1069598501 /nfs/dbraw/zinc/59/85/01/1069598501.db2.gz ZYWKLWUQLAIRQA-UHFFFAOYSA-N 0 0 411.440 -0.063 20 5 HBBDRN 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ZINC000522244271 1071076727 /nfs/dbraw/zinc/07/67/27/1071076727.db2.gz MATFRTUSGVWRSO-UHFFFAOYSA-N 0 0 412.362 -0.205 20 5 HBBDRN CCOC(=O)CCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000522477456 1071162037 /nfs/dbraw/zinc/16/20/37/1071162037.db2.gz LPHUICJWOCKCSF-UHFFFAOYSA-N 0 0 409.442 -0.254 20 5 HBBDRN CC(C)(C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000522480231 1071166772 /nfs/dbraw/zinc/16/67/72/1071166772.db2.gz LTVVMGBKSXLXKT-UHFFFAOYSA-N 0 0 408.415 -0.944 20 5 HBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000522485384 1071170122 /nfs/dbraw/zinc/17/01/22/1071170122.db2.gz GAESCDRUUBOOPF-LLVKDONJSA-N 0 0 401.445 -0.322 20 5 HBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000522485385 1071171035 /nfs/dbraw/zinc/17/10/35/1071171035.db2.gz GAESCDRUUBOOPF-NSHDSACASA-N 0 0 401.445 -0.322 20 5 HBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000522564676 1071186290 /nfs/dbraw/zinc/18/62/90/1071186290.db2.gz NNMOSDNJCXUMNV-UHFFFAOYSA-N 0 0 402.415 -0.255 20 5 HBBDRN CS(=O)(=O)CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522578098 1071188042 /nfs/dbraw/zinc/18/80/42/1071188042.db2.gz SJVLIFKEPDHHIU-UHFFFAOYSA-N 0 0 408.458 -0.393 20 5 HBBDRN Cn1nnnc1SCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522581531 1071188176 /nfs/dbraw/zinc/18/81/76/1071188176.db2.gz RCHPJKZOPWDLCG-UHFFFAOYSA-N 0 0 415.457 -0.305 20 5 HBBDRN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000522584756 1071188817 /nfs/dbraw/zinc/18/88/17/1071188817.db2.gz PDCVJNWCUZKTJD-UHFFFAOYSA-N 0 0 423.455 -0.561 20 5 HBBDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000522643738 1071191214 /nfs/dbraw/zinc/19/12/14/1071191214.db2.gz MUQATHMZJQWREY-LLVKDONJSA-N 0 0 420.469 -0.587 20 5 HBBDRN CS(=O)(=O)N[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000522643739 1071191311 /nfs/dbraw/zinc/19/13/11/1071191311.db2.gz MUQATHMZJQWREY-NSHDSACASA-N 0 0 420.469 -0.587 20 5 HBBDRN COC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000522654994 1071193458 /nfs/dbraw/zinc/19/34/58/1071193458.db2.gz RNBPSBIWWCWLKG-GFCCVEGCSA-N 0 0 416.412 -0.544 20 5 HBBDRN COC(=O)[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000522654995 1071193538 /nfs/dbraw/zinc/19/35/38/1071193538.db2.gz RNBPSBIWWCWLKG-LBPRGKRZSA-N 0 0 416.412 -0.544 20 5 HBBDRN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655077 1071193313 /nfs/dbraw/zinc/19/33/13/1071193313.db2.gz VNXIPBQWZWEHPY-LLVKDONJSA-N 0 0 422.485 -0.005 20 5 HBBDRN CCS(=O)(=O)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655078 1071193543 /nfs/dbraw/zinc/19/35/43/1071193543.db2.gz VNXIPBQWZWEHPY-NSHDSACASA-N 0 0 422.485 -0.005 20 5 HBBDRN C[C@@H](CS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655185 1071193549 /nfs/dbraw/zinc/19/35/49/1071193549.db2.gz ZSBQPXJVADBLLG-JTQLQIEISA-N 0 0 408.458 -0.395 20 5 HBBDRN C[C@H](CS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655186 1071193499 /nfs/dbraw/zinc/19/34/99/1071193499.db2.gz ZSBQPXJVADBLLG-SNVBAGLBSA-N 0 0 408.458 -0.395 20 5 HBBDRN CN(CCN1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522655671 1071193355 /nfs/dbraw/zinc/19/33/55/1071193355.db2.gz VNELWBJWPOFRIQ-UHFFFAOYSA-N 0 0 415.472 -0.153 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000522659732 1071193393 /nfs/dbraw/zinc/19/33/93/1071193393.db2.gz IJZBGLAEGLIUOH-JTQLQIEISA-N 0 0 406.442 -0.641 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000522659733 1071193494 /nfs/dbraw/zinc/19/34/94/1071193494.db2.gz IJZBGLAEGLIUOH-SNVBAGLBSA-N 0 0 406.442 -0.641 20 5 HBBDRN CC(=O)NC[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000522728562 1071201339 /nfs/dbraw/zinc/20/13/39/1071201339.db2.gz HXFVINXCAVNEFC-AWEZNQCLSA-N 0 0 414.440 -0.373 20 5 HBBDRN CC(=O)NC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000522728563 1071201205 /nfs/dbraw/zinc/20/12/05/1071201205.db2.gz HXFVINXCAVNEFC-CQSZACIVSA-N 0 0 414.440 -0.373 20 5 HBBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CC[C@@H](O)C1 ZINC000522735431 1071202004 /nfs/dbraw/zinc/20/20/04/1071202004.db2.gz JCEWTQNWCUXRMW-CYBMUJFWSA-N 0 0 400.457 -0.224 20 5 HBBDRN CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000522758767 1071208530 /nfs/dbraw/zinc/20/85/30/1071208530.db2.gz NNHFHOOTXGDBRG-LLVKDONJSA-N 0 0 401.397 -0.108 20 5 HBBDRN CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000522758768 1071208780 /nfs/dbraw/zinc/20/87/80/1071208780.db2.gz NNHFHOOTXGDBRG-NSHDSACASA-N 0 0 401.397 -0.108 20 5 HBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000522783712 1071213031 /nfs/dbraw/zinc/21/30/31/1071213031.db2.gz JVRAPJMIUBXCFU-UHFFFAOYSA-N 0 0 413.390 -0.355 20 5 HBBDRN Cn1c(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000522793653 1071215190 /nfs/dbraw/zinc/21/51/90/1071215190.db2.gz ZPTIZKYXNKIRCJ-UHFFFAOYSA-N 0 0 401.445 -0.296 20 5 HBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522801933 1071217983 /nfs/dbraw/zinc/21/79/83/1071217983.db2.gz VHMSEQZKXPXLGH-UHFFFAOYSA-N 0 0 414.444 -0.458 20 5 HBBDRN O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000522841895 1071221790 /nfs/dbraw/zinc/22/17/90/1071221790.db2.gz VNDUGJBTGMEWQE-UHFFFAOYSA-N 0 0 415.428 -0.533 20 5 HBBDRN COCCCNC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000522852679 1071222320 /nfs/dbraw/zinc/22/23/20/1071222320.db2.gz OZMRKQHUMGGDMT-UHFFFAOYSA-N 0 0 402.429 -0.225 20 5 HBBDRN Cc1nn(CCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000522855182 1071223848 /nfs/dbraw/zinc/22/38/48/1071223848.db2.gz TZHISZYKBCKTTM-HNNXBMFYSA-N 0 0 408.459 -0.152 20 5 HBBDRN Cc1nn(CCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000522855183 1071223579 /nfs/dbraw/zinc/22/35/79/1071223579.db2.gz TZHISZYKBCKTTM-OAHLLOKOSA-N 0 0 408.459 -0.152 20 5 HBBDRN Cc1c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cccc1[N+](=O)[O-] ZINC000522856053 1071225096 /nfs/dbraw/zinc/22/50/96/1071225096.db2.gz BCKKCDNSNMDYMZ-AWEZNQCLSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cccc1[N+](=O)[O-] ZINC000522856054 1071225135 /nfs/dbraw/zinc/22/51/35/1071225135.db2.gz BCKKCDNSNMDYMZ-CQSZACIVSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000522856110 1071223600 /nfs/dbraw/zinc/22/36/00/1071223600.db2.gz FPADTLBOGGAMMX-HNNXBMFYSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000522856111 1071223814 /nfs/dbraw/zinc/22/38/14/1071223814.db2.gz FPADTLBOGGAMMX-OAHLLOKOSA-N 0 0 424.479 -0.036 20 5 HBBDRN O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000522856176 1071223086 /nfs/dbraw/zinc/22/30/86/1071223086.db2.gz JKMYWEOKWQCXMW-CYBMUJFWSA-N 0 0 410.452 -0.344 20 5 HBBDRN O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000522856177 1071222902 /nfs/dbraw/zinc/22/29/02/1071222902.db2.gz JKMYWEOKWQCXMW-ZDUSSCGKSA-N 0 0 410.452 -0.344 20 5 HBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000522857990 1071224457 /nfs/dbraw/zinc/22/44/57/1071224457.db2.gz FQHFCRSTBZGARW-UHFFFAOYSA-N 0 0 418.362 -0.243 20 5 HBBDRN Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000522884191 1071228470 /nfs/dbraw/zinc/22/84/70/1071228470.db2.gz HPNPAMJUSPOZNT-GHMZBOCLSA-N 0 0 416.460 -0.262 20 5 HBBDRN Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000522884192 1071228428 /nfs/dbraw/zinc/22/84/28/1071228428.db2.gz HPNPAMJUSPOZNT-PHIMTYICSA-N 0 0 416.460 -0.262 20 5 HBBDRN Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000522884193 1071228365 /nfs/dbraw/zinc/22/83/65/1071228365.db2.gz HPNPAMJUSPOZNT-QWRGUYRKSA-N 0 0 416.460 -0.262 20 5 HBBDRN Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000522893471 1071229030 /nfs/dbraw/zinc/22/90/30/1071229030.db2.gz WNQGCTLYXMYGIR-GXTWGEPZSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000522893472 1071229049 /nfs/dbraw/zinc/22/90/49/1071229049.db2.gz WNQGCTLYXMYGIR-JSGCOSHPSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000522893473 1071229027 /nfs/dbraw/zinc/22/90/27/1071229027.db2.gz WNQGCTLYXMYGIR-OCCSQVGLSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000522893474 1071228994 /nfs/dbraw/zinc/22/89/94/1071228994.db2.gz WNQGCTLYXMYGIR-TZMCWYRMSA-N 0 0 419.481 -0.321 20 5 HBBDRN 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ZINC000524009411 1071409284 /nfs/dbraw/zinc/40/92/84/1071409284.db2.gz WZYWJCPAQCAAKM-ZDUSSCGKSA-N 0 0 416.394 -0.012 20 5 HBBDRN COC(=O)CCCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000524021335 1071408483 /nfs/dbraw/zinc/40/84/83/1071408483.db2.gz VOWPFGUWRXYCHS-UHFFFAOYSA-N 0 0 409.442 -0.254 20 5 HBBDRN CCS(=O)(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000524038063 1071411709 /nfs/dbraw/zinc/41/17/09/1071411709.db2.gz XNBBVODSHLEPMA-UHFFFAOYSA-N 0 0 420.469 -0.342 20 5 HBBDRN Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000524039291 1071411830 /nfs/dbraw/zinc/41/18/30/1071411830.db2.gz MVESERIHNVPPCT-UHFFFAOYSA-N 0 0 406.442 -0.732 20 5 HBBDRN O=C(CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000524051176 1071413211 /nfs/dbraw/zinc/41/32/11/1071413211.db2.gz GDEMNNOCEWTENX-GFCCVEGCSA-N 0 0 416.481 -0.283 20 5 HBBDRN O=C(CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000524051177 1071413274 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CC(C)C(=O)NCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742305 1072072779 /nfs/dbraw/zinc/07/27/79/1072072779.db2.gz WNNRSKPWRYTIFO-UHFFFAOYSA-N 0 0 401.445 -0.056 20 5 HBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1C(=O)CCC1=O ZINC000609742421 1068275066 /nfs/dbraw/zinc/27/50/66/1068275066.db2.gz MRBHDVMFVNZEBT-UHFFFAOYSA-N 0 0 413.412 -0.679 20 5 HBBDRN O=C(CNC(=O)c1ccncc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743362 1072073424 /nfs/dbraw/zinc/07/34/24/1072073424.db2.gz DDHUAFCNUMWTOO-UHFFFAOYSA-N 0 0 407.408 -0.186 20 5 HBBDRN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748205 1072073272 /nfs/dbraw/zinc/07/32/72/1072073272.db2.gz VKRBAAYLSSWPRZ-LLVKDONJSA-N 0 0 422.485 -0.052 20 5 HBBDRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748207 1072073468 /nfs/dbraw/zinc/07/34/68/1072073468.db2.gz VKRBAAYLSSWPRZ-NSHDSACASA-N 0 0 422.485 -0.052 20 5 HBBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609761228 1072074822 /nfs/dbraw/zinc/07/48/22/1072074822.db2.gz CBVIFSFBMDSWHH-LLVKDONJSA-N 0 0 412.786 -0.132 20 5 HBBDRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609761229 1072074699 /nfs/dbraw/zinc/07/46/99/1072074699.db2.gz CBVIFSFBMDSWHH-NSHDSACASA-N 0 0 412.786 -0.132 20 5 HBBDRN CCOC(=O)CN(CC(N)=O)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609761983 1072074804 /nfs/dbraw/zinc/07/48/04/1072074804.db2.gz VOUBFOVCFMUQNH-UHFFFAOYSA-N 0 0 400.775 -0.145 20 5 HBBDRN Cn1cc(N2CC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cn1 ZINC000609788612 1072075204 /nfs/dbraw/zinc/07/52/04/1072075204.db2.gz JTWBISZXQXQFES-GFCCVEGCSA-N 0 0 412.362 -0.154 20 5 HBBDRN Cn1cc(N2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cn1 ZINC000609788613 1072075354 /nfs/dbraw/zinc/07/53/54/1072075354.db2.gz JTWBISZXQXQFES-LBPRGKRZSA-N 0 0 412.362 -0.154 20 5 HBBDRN Cn1cc(N2CC[C@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2=O)cn1 ZINC000609789038 1072075212 /nfs/dbraw/zinc/07/52/12/1072075212.db2.gz VAKAHYDIYWXDDD-AWEZNQCLSA-N 0 0 412.362 -0.154 20 5 HBBDRN Cn1cc(N2CC[C@@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2=O)cn1 ZINC000609789039 1072075325 /nfs/dbraw/zinc/07/53/25/1072075325.db2.gz VAKAHYDIYWXDDD-CQSZACIVSA-N 0 0 412.362 -0.154 20 5 HBBDRN Cn1cc(N2CC[C@@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000609789056 1072075253 /nfs/dbraw/zinc/07/52/53/1072075253.db2.gz WASXLICMUZUCQH-CYBMUJFWSA-N 0 0 414.378 -0.025 20 5 HBBDRN Cn1cc(N2CC[C@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000609789061 1072075280 /nfs/dbraw/zinc/07/52/80/1072075280.db2.gz WASXLICMUZUCQH-ZDUSSCGKSA-N 0 0 414.378 -0.025 20 5 HBBDRN COC(=O)CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609806325 1072074721 /nfs/dbraw/zinc/07/47/21/1072074721.db2.gz HPWLWPANEDKGHQ-UHFFFAOYSA-N 0 0 408.411 -0.342 20 5 HBBDRN COC(=O)CN(CCN1CCOCC1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609806625 1072074918 /nfs/dbraw/zinc/07/49/18/1072074918.db2.gz QQYFNUIQHSJHSG-UHFFFAOYSA-N 0 0 422.394 -0.164 20 5 HBBDRN Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000609811362 1072076616 /nfs/dbraw/zinc/07/66/16/1072076616.db2.gz COGKHTFIVWDAMK-UHFFFAOYSA-N 0 0 413.456 -0.465 20 5 HBBDRN Cc1c(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000609811372 1068278423 /nfs/dbraw/zinc/27/84/23/1068278423.db2.gz CXPUNIZTJVXYQD-UHFFFAOYSA-N 0 0 413.456 -0.465 20 5 HBBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000609811882 1068278402 /nfs/dbraw/zinc/27/84/02/1068278402.db2.gz UKYAVZINJDUZCY-UHFFFAOYSA-N 0 0 413.456 -0.465 20 5 HBBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000609816988 1072075373 /nfs/dbraw/zinc/07/53/73/1072075373.db2.gz MITRBBMWPOBBNM-UHFFFAOYSA-N 0 0 401.445 -0.296 20 5 HBBDRN NC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609823029 1072075786 /nfs/dbraw/zinc/07/57/86/1072075786.db2.gz IAKZIITZRBEJKZ-UHFFFAOYSA-N 0 0 402.454 -0.354 20 5 HBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CSCC(N)=O)CC1 ZINC000609823552 1072075807 /nfs/dbraw/zinc/07/58/07/1072075807.db2.gz ZKBFDICJFGVUHH-UHFFFAOYSA-N 0 0 416.481 -0.045 20 5 HBBDRN COC(=O)CCCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609823898 1072075758 /nfs/dbraw/zinc/07/57/58/1072075758.db2.gz NHEFGVWPWNCOTQ-UHFFFAOYSA-N 0 0 409.442 -0.254 20 5 HBBDRN COC(=O)CCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609824774 1072075818 /nfs/dbraw/zinc/07/58/18/1072075818.db2.gz NCLGWCJPXBPAPC-UHFFFAOYSA-N 0 0 409.442 -0.254 20 5 HBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000609836319 1072076563 /nfs/dbraw/zinc/07/65/63/1072076563.db2.gz DOMPALHKOCIZDQ-AWEZNQCLSA-N 0 0 410.452 -0.344 20 5 HBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000609836320 1072076486 /nfs/dbraw/zinc/07/64/86/1072076486.db2.gz DOMPALHKOCIZDQ-CQSZACIVSA-N 0 0 410.452 -0.344 20 5 HBBDRN Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000609836426 1071284515 /nfs/dbraw/zinc/28/45/15/1071284515.db2.gz KCIYZYVJHDDZPW-HNNXBMFYSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000609836427 1071284436 /nfs/dbraw/zinc/28/44/36/1071284436.db2.gz KCIYZYVJHDDZPW-OAHLLOKOSA-N 0 0 424.479 -0.036 20 5 HBBDRN O=C(CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000609836476 1072076080 /nfs/dbraw/zinc/07/60/80/1072076080.db2.gz MDXAYXHNPSAMEU-HNNXBMFYSA-N 0 0 424.479 -0.415 20 5 HBBDRN O=C(CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000609836481 1072076048 /nfs/dbraw/zinc/07/60/48/1072076048.db2.gz MDXAYXHNPSAMEU-OAHLLOKOSA-N 0 0 424.479 -0.415 20 5 HBBDRN Cc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000609836659 1072076053 /nfs/dbraw/zinc/07/60/53/1072076053.db2.gz RAXFZCPRXBRRBZ-AWEZNQCLSA-N 0 0 424.479 -0.036 20 5 HBBDRN Cc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000609836661 1072076042 /nfs/dbraw/zinc/07/60/42/1072076042.db2.gz RAXFZCPRXBRRBZ-CQSZACIVSA-N 0 0 424.479 -0.036 20 5 HBBDRN O=C(CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000609836945 1072078220 /nfs/dbraw/zinc/07/82/20/1072078220.db2.gz ZBGLWULMMJUKLF-HNNXBMFYSA-N 0 0 424.479 -0.415 20 5 HBBDRN O=C(CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000609836947 1072078015 /nfs/dbraw/zinc/07/80/15/1072078015.db2.gz ZBGLWULMMJUKLF-OAHLLOKOSA-N 0 0 424.479 -0.415 20 5 HBBDRN Cc1c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841096 1072077990 /nfs/dbraw/zinc/07/79/90/1072077990.db2.gz AANKXUVDDFMNOT-JTQLQIEISA-N 0 0 420.469 -0.296 20 5 HBBDRN Cc1c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841097 1072078177 /nfs/dbraw/zinc/07/81/77/1072078177.db2.gz AANKXUVDDFMNOT-SNVBAGLBSA-N 0 0 420.469 -0.296 20 5 HBBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000609841964 1072078129 /nfs/dbraw/zinc/07/81/29/1072078129.db2.gz FRFGGYMXXINWAE-CYBMUJFWSA-N 0 0 421.458 -0.223 20 5 HBBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000609841965 1072078002 /nfs/dbraw/zinc/07/80/02/1072078002.db2.gz FRFGGYMXXINWAE-ZDUSSCGKSA-N 0 0 421.458 -0.223 20 5 HBBDRN Cc1c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843085 1072076976 /nfs/dbraw/zinc/07/69/76/1072076976.db2.gz HGZYACRBUQGWOA-JTQLQIEISA-N 0 0 420.469 -0.296 20 5 HBBDRN Cc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843086 1072077025 /nfs/dbraw/zinc/07/70/25/1072077025.db2.gz HGZYACRBUQGWOA-SNVBAGLBSA-N 0 0 420.469 -0.296 20 5 HBBDRN Cc1c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843153 1068280244 /nfs/dbraw/zinc/28/02/44/1068280244.db2.gz MFNWMZFGDAMANH-JTQLQIEISA-N 0 0 400.413 -0.472 20 5 HBBDRN Cc1c(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843154 1072076964 /nfs/dbraw/zinc/07/69/64/1072076964.db2.gz MFNWMZFGDAMANH-SNVBAGLBSA-N 0 0 400.413 -0.472 20 5 HBBDRN CCS(=O)(=O)N(C)CCCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000609847499 1072077045 /nfs/dbraw/zinc/07/70/45/1072077045.db2.gz OHLDGSWDUJNZLH-UHFFFAOYSA-N 0 0 422.485 -0.048 20 5 HBBDRN CNC(=O)CN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000609847525 1072076946 /nfs/dbraw/zinc/07/69/46/1072076946.db2.gz PRUWEHPJRUAXAI-UHFFFAOYSA-N 0 0 413.456 -0.509 20 5 HBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000609850441 1072077635 /nfs/dbraw/zinc/07/76/35/1072077635.db2.gz DFJYYZFLPHQLKX-KBPBESRZSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000609850442 1072077713 /nfs/dbraw/zinc/07/77/13/1072077713.db2.gz DFJYYZFLPHQLKX-KGLIPLIRSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000609850443 1072077613 /nfs/dbraw/zinc/07/76/13/1072077613.db2.gz DFJYYZFLPHQLKX-UONOGXRCSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000609850444 1072077590 /nfs/dbraw/zinc/07/75/90/1072077590.db2.gz DFJYYZFLPHQLKX-ZIAGYGMSSA-N 0 0 419.481 -0.321 20 5 HBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000609850531 1072076913 /nfs/dbraw/zinc/07/69/13/1072076913.db2.gz WADYCLLMFHESRJ-CABCVRRESA-N 0 0 419.481 -0.488 20 5 HBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000609850532 1072077698 /nfs/dbraw/zinc/07/76/98/1072077698.db2.gz WADYCLLMFHESRJ-GJZGRUSLSA-N 0 0 419.481 -0.488 20 5 HBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000609850533 1072077161 /nfs/dbraw/zinc/07/71/61/1072077161.db2.gz WADYCLLMFHESRJ-HUUCEWRRSA-N 0 0 419.481 -0.488 20 5 HBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000609850534 1072077598 /nfs/dbraw/zinc/07/75/98/1072077598.db2.gz WADYCLLMFHESRJ-LSDHHAIUSA-N 0 0 419.481 -0.488 20 5 HBBDRN Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000609850554 1072077565 /nfs/dbraw/zinc/07/75/65/1072077565.db2.gz ZGGCCJLHNDZREY-DZGCQCFKSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000609850555 1072077629 /nfs/dbraw/zinc/07/76/29/1072077629.db2.gz ZGGCCJLHNDZREY-HIFRSBDPSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000609850556 1072077683 /nfs/dbraw/zinc/07/76/83/1072077683.db2.gz ZGGCCJLHNDZREY-UKRRQHHQSA-N 0 0 419.481 -0.321 20 5 HBBDRN Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000609850557 1072077132 /nfs/dbraw/zinc/07/71/32/1072077132.db2.gz ZGGCCJLHNDZREY-ZFWWWQNUSA-N 0 0 419.481 -0.321 20 5 HBBDRN 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HBBDRN COC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611640948 1068707128 /nfs/dbraw/zinc/70/71/28/1068707128.db2.gz IMLAYNFFERYKPO-WZRBSPASSA-N 0 0 415.424 -0.356 20 5 HBBDRN CNC(=O)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611640950 1068707330 /nfs/dbraw/zinc/70/73/30/1068707330.db2.gz ISRBJHHGWKPMNH-AAEUAGOBSA-N 0 0 414.440 -0.687 20 5 HBBDRN CNC(=O)CCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611640951 1068707194 /nfs/dbraw/zinc/70/71/94/1068707194.db2.gz ISRBJHHGWKPMNH-YPMHNXCESA-N 0 0 414.440 -0.687 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2ccnc2C1 ZINC000611641306 1068722256 /nfs/dbraw/zinc/72/22/56/1068722256.db2.gz ABTAGPJVCVDIRF-JSGCOSHPSA-N 0 0 421.435 -0.042 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2ccnc2C1 ZINC000611641314 1068706645 /nfs/dbraw/zinc/70/66/45/1068706645.db2.gz ABTAGPJVCVDIRF-OCCSQVGLSA-N 0 0 421.435 -0.042 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(n2cccn2)C1 ZINC000611641369 1068706634 /nfs/dbraw/zinc/70/66/34/1068706634.db2.gz OFNXAQFWIMQVBE-HIFRSBDPSA-N 0 0 421.435 -0.001 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(n2cccn2)C1 ZINC000611641380 1068706682 /nfs/dbraw/zinc/70/66/82/1068706682.db2.gz OFNXAQFWIMQVBE-ZFWWWQNUSA-N 0 0 421.435 -0.001 20 5 HBBDRN CNC(=O)CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641424 1068706689 /nfs/dbraw/zinc/70/66/89/1068706689.db2.gz CPDVBXYYIUPNTN-AAEUAGOBSA-N 0 0 414.440 -0.639 20 5 HBBDRN CNC(=O)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641426 1068706565 /nfs/dbraw/zinc/70/65/65/1068706565.db2.gz CPDVBXYYIUPNTN-YPMHNXCESA-N 0 0 414.440 -0.639 20 5 HBBDRN C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000611641442 1068706549 /nfs/dbraw/zinc/70/65/49/1068706549.db2.gz CYIIVECBNOMKAS-GVXVVHGQSA-N 0 0 414.440 -0.688 20 5 HBBDRN C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000611641443 1068706657 /nfs/dbraw/zinc/70/66/57/1068706657.db2.gz CYIIVECBNOMKAS-LOWVWBTDSA-N 0 0 414.440 -0.688 20 5 HBBDRN C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000611641444 1068706666 /nfs/dbraw/zinc/70/66/66/1068706666.db2.gz CYIIVECBNOMKAS-MDZLAQPJSA-N 0 0 414.440 -0.688 20 5 HBBDRN C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000611641447 1068706728 /nfs/dbraw/zinc/70/67/28/1068706728.db2.gz CYIIVECBNOMKAS-WZRBSPASSA-N 0 0 414.440 -0.688 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1 ZINC000611641793 1068707743 /nfs/dbraw/zinc/70/77/43/1068707743.db2.gz UFFVGEALMZTSJK-AAEUAGOBSA-N 0 0 412.424 -0.933 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1 ZINC000611641795 1068707872 /nfs/dbraw/zinc/70/78/72/1068707872.db2.gz UFFVGEALMZTSJK-YPMHNXCESA-N 0 0 412.424 -0.933 20 5 HBBDRN Cn1ccnc1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641843 1068707376 /nfs/dbraw/zinc/70/73/76/1068707376.db2.gz UTLPHZWQEXONSJ-AAEUAGOBSA-N 0 0 409.424 -0.231 20 5 HBBDRN Cn1ccnc1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641845 1068707799 /nfs/dbraw/zinc/70/77/99/1068707799.db2.gz UTLPHZWQEXONSJ-YPMHNXCESA-N 0 0 409.424 -0.231 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(n2ccnc2)C1 ZINC000611642026 1068707010 /nfs/dbraw/zinc/70/70/10/1068707010.db2.gz MCNVYIYLMCBUMV-HIFRSBDPSA-N 0 0 421.435 -0.001 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(n2ccnc2)C1 ZINC000611642027 1068707299 /nfs/dbraw/zinc/70/72/99/1068707299.db2.gz MCNVYIYLMCBUMV-ZFWWWQNUSA-N 0 0 421.435 -0.001 20 5 HBBDRN CN1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000611643289 1068707882 /nfs/dbraw/zinc/70/78/82/1068707882.db2.gz AAQCJIIKYDKPRR-GVXVVHGQSA-N 0 0 412.424 -0.934 20 5 HBBDRN CN1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000611643293 1068707852 /nfs/dbraw/zinc/70/78/52/1068707852.db2.gz AAQCJIIKYDKPRR-LOWVWBTDSA-N 0 0 412.424 -0.934 20 5 HBBDRN CN1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000611643294 1068707776 /nfs/dbraw/zinc/70/77/76/1068707776.db2.gz AAQCJIIKYDKPRR-MDZLAQPJSA-N 0 0 412.424 -0.934 20 5 HBBDRN CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000611643295 1068707714 /nfs/dbraw/zinc/70/77/14/1068707714.db2.gz AAQCJIIKYDKPRR-WZRBSPASSA-N 0 0 412.424 -0.934 20 5 HBBDRN O=C(NCCc1ncc[nH]1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611643946 1068708249 /nfs/dbraw/zinc/70/82/49/1068708249.db2.gz YLYXUCSQIHCERK-AAEUAGOBSA-N 0 0 409.424 -0.199 20 5 HBBDRN O=C(NCCc1ncc[nH]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611643957 1068708515 /nfs/dbraw/zinc/70/85/15/1068708515.db2.gz YLYXUCSQIHCERK-YPMHNXCESA-N 0 0 409.424 -0.199 20 5 HBBDRN CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000611644730 1068708234 /nfs/dbraw/zinc/70/82/34/1068708234.db2.gz NKNAHMCJKRQLSD-AAEUAGOBSA-N 0 0 412.424 -0.981 20 5 HBBDRN CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000611644731 1068708458 /nfs/dbraw/zinc/70/84/58/1068708458.db2.gz NKNAHMCJKRQLSD-YPMHNXCESA-N 0 0 412.424 -0.981 20 5 HBBDRN O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611645132 1068708327 /nfs/dbraw/zinc/70/83/27/1068708327.db2.gz UDHOJXZXNJHJNJ-JURCDPSOSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611645134 1068708503 /nfs/dbraw/zinc/70/85/03/1068708503.db2.gz UDHOJXZXNJHJNJ-MYZSUADSSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611645136 1068708308 /nfs/dbraw/zinc/70/83/08/1068708308.db2.gz UDHOJXZXNJHJNJ-NEBZKDRISA-N 0 0 413.452 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417.440 -0.768 20 5 HBBDRN CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611647966 1068708796 /nfs/dbraw/zinc/70/87/96/1068708796.db2.gz IKHWBLBAQMYUNP-DETPVDSQSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611647967 1068708976 /nfs/dbraw/zinc/70/89/76/1068708976.db2.gz IKHWBLBAQMYUNP-FFSVYQOJSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611647969 1068709104 /nfs/dbraw/zinc/70/91/04/1068709104.db2.gz IKHWBLBAQMYUNP-PVXIVEMSSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611647970 1068709095 /nfs/dbraw/zinc/70/90/95/1068709095.db2.gz IKHWBLBAQMYUNP-RBOXIYTFSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@@](O)(CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611648187 1068708762 /nfs/dbraw/zinc/70/87/62/1068708762.db2.gz XLSXANPTPQTLQL-HACGYAERSA-N 0 0 413.452 -0.004 20 5 HBBDRN C[C@](O)(CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611648188 1068709079 /nfs/dbraw/zinc/70/90/79/1068709079.db2.gz XLSXANPTPQTLQL-IFIJOSMWSA-N 0 0 413.452 -0.004 20 5 HBBDRN C[C@](O)(CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611648189 1068709468 /nfs/dbraw/zinc/70/94/68/1068709468.db2.gz XLSXANPTPQTLQL-JDFRZJQESA-N 0 0 413.452 -0.004 20 5 HBBDRN C[C@@](O)(CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611648190 1068709408 /nfs/dbraw/zinc/70/94/08/1068709408.db2.gz XLSXANPTPQTLQL-RVSPLBMKSA-N 0 0 413.452 -0.004 20 5 HBBDRN CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000611652945 1068709593 /nfs/dbraw/zinc/70/95/93/1068709593.db2.gz ZYFYRHPPTRUGKN-GVXVVHGQSA-N 0 0 415.424 -0.214 20 5 HBBDRN CC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000611652948 1068709571 /nfs/dbraw/zinc/70/95/71/1068709571.db2.gz ZYFYRHPPTRUGKN-LOWVWBTDSA-N 0 0 415.424 -0.214 20 5 HBBDRN CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000611652949 1068710171 /nfs/dbraw/zinc/71/01/71/1068710171.db2.gz ZYFYRHPPTRUGKN-MDZLAQPJSA-N 0 0 415.424 -0.214 20 5 HBBDRN CC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000611652951 1068709949 /nfs/dbraw/zinc/70/99/49/1068709949.db2.gz ZYFYRHPPTRUGKN-WZRBSPASSA-N 0 0 415.424 -0.214 20 5 HBBDRN C[C@@H](O)CCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653973 1068709525 /nfs/dbraw/zinc/70/95/25/1068709525.db2.gz WTAPCLJAXVCFPU-BZPMIXESSA-N 0 0 401.441 -0.052 20 5 HBBDRN C[C@@H](O)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653974 1068709561 /nfs/dbraw/zinc/70/95/61/1068709561.db2.gz WTAPCLJAXVCFPU-DYEKYZERSA-N 0 0 401.441 -0.052 20 5 HBBDRN C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653975 1068709370 /nfs/dbraw/zinc/70/93/70/1068709370.db2.gz WTAPCLJAXVCFPU-OBJOEFQTSA-N 0 0 401.441 -0.052 20 5 HBBDRN C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653976 1068709457 /nfs/dbraw/zinc/70/94/57/1068709457.db2.gz WTAPCLJAXVCFPU-SCRDCRAPSA-N 0 0 401.441 -0.052 20 5 HBBDRN C[C@H](CCCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654363 1068709544 /nfs/dbraw/zinc/70/95/44/1068709544.db2.gz JEOWRIOUVGHFCI-BZPMIXESSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@H](CCCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654364 1068709552 /nfs/dbraw/zinc/70/95/52/1068709552.db2.gz JEOWRIOUVGHFCI-DYEKYZERSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@@H](CCCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654365 1068709382 /nfs/dbraw/zinc/70/93/82/1068709382.db2.gz JEOWRIOUVGHFCI-OBJOEFQTSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@@H](CCCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654366 1068709492 /nfs/dbraw/zinc/70/94/92/1068709492.db2.gz JEOWRIOUVGHFCI-SCRDCRAPSA-N 0 0 401.441 -0.004 20 5 HBBDRN CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654367 1068709583 /nfs/dbraw/zinc/70/95/83/1068709583.db2.gz JGMDMMFJGVCUOF-AEGPPILISA-N 0 0 413.452 -0.052 20 5 HBBDRN CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654368 1068709396 /nfs/dbraw/zinc/70/93/96/1068709396.db2.gz JGMDMMFJGVCUOF-QEJZJMRPSA-N 0 0 413.452 -0.052 20 5 HBBDRN CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654369 1068709536 /nfs/dbraw/zinc/70/95/36/1068709536.db2.gz JGMDMMFJGVCUOF-SNPRPXQTSA-N 0 0 413.452 -0.052 20 5 HBBDRN CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611654370 1068709521 /nfs/dbraw/zinc/70/95/21/1068709521.db2.gz JGMDMMFJGVCUOF-VHDGCEQUSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC[C@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655635 1068710082 /nfs/dbraw/zinc/71/00/82/1068710082.db2.gz ATCLQFDVZRKEAR-BZPMIXESSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655636 1068710009 /nfs/dbraw/zinc/71/00/09/1068710009.db2.gz ATCLQFDVZRKEAR-DYEKYZERSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655638 1068710145 /nfs/dbraw/zinc/71/01/45/1068710145.db2.gz ATCLQFDVZRKEAR-OBJOEFQTSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655640 1068709917 /nfs/dbraw/zinc/70/99/17/1068709917.db2.gz ATCLQFDVZRKEAR-SCRDCRAPSA-N 0 0 401.441 -0.004 20 5 HBBDRN C[C@H](CCO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655685 1068710654 /nfs/dbraw/zinc/71/06/54/1068710654.db2.gz CEEMTCNSVATUFG-BZPMIXESSA-N 0 0 401.441 -0.147 20 5 HBBDRN C[C@H](CCO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655689 1068710509 /nfs/dbraw/zinc/71/05/09/1068710509.db2.gz CEEMTCNSVATUFG-DYEKYZERSA-N 0 0 401.441 -0.147 20 5 HBBDRN C[C@@H](CCO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655690 1068710520 /nfs/dbraw/zinc/71/05/20/1068710520.db2.gz CEEMTCNSVATUFG-OBJOEFQTSA-N 0 0 401.441 -0.147 20 5 HBBDRN C[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655692 1068710619 /nfs/dbraw/zinc/71/06/19/1068710619.db2.gz CEEMTCNSVATUFG-SCRDCRAPSA-N 0 0 401.441 -0.147 20 5 HBBDRN C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000611655732 1068710477 /nfs/dbraw/zinc/71/04/77/1068710477.db2.gz DLDINNCJFLPGLJ-BYNQJWBRSA-N 0 0 401.441 -0.148 20 5 HBBDRN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655733 1068710575 /nfs/dbraw/zinc/71/05/75/1068710575.db2.gz DLDINNCJFLPGLJ-CZXHOFHRSA-N 0 0 401.441 -0.148 20 5 HBBDRN C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000611655734 1068710595 /nfs/dbraw/zinc/71/05/95/1068710595.db2.gz DLDINNCJFLPGLJ-NMKXLXIOSA-N 0 0 401.441 -0.148 20 5 HBBDRN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655735 1068722273 /nfs/dbraw/zinc/72/22/73/1068722273.db2.gz DLDINNCJFLPGLJ-UHXUPSOCSA-N 0 0 401.441 -0.148 20 5 HBBDRN CCC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655752 1068711152 /nfs/dbraw/zinc/71/11/52/1068711152.db2.gz FILZNWYQXYQVSJ-BZPMIXESSA-N 0 0 401.441 -0.004 20 5 HBBDRN CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655753 1068711029 /nfs/dbraw/zinc/71/10/29/1068711029.db2.gz FILZNWYQXYQVSJ-DYEKYZERSA-N 0 0 401.441 -0.004 20 5 HBBDRN CCC[C@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655755 1068711182 /nfs/dbraw/zinc/71/11/82/1068711182.db2.gz FILZNWYQXYQVSJ-OBJOEFQTSA-N 0 0 401.441 -0.004 20 5 HBBDRN CCC[C@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655756 1068711103 /nfs/dbraw/zinc/71/11/03/1068711103.db2.gz FILZNWYQXYQVSJ-SCRDCRAPSA-N 0 0 401.441 -0.004 20 5 HBBDRN COC[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655767 1069312026 /nfs/dbraw/zinc/31/20/26/1069312026.db2.gz FSVBBEFHEMLWMM-BZPMIXESSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655768 1068710971 /nfs/dbraw/zinc/71/09/71/1068710971.db2.gz FSVBBEFHEMLWMM-DYEKYZERSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655769 1068711040 /nfs/dbraw/zinc/71/10/40/1068711040.db2.gz FSVBBEFHEMLWMM-OBJOEFQTSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655770 1068711089 /nfs/dbraw/zinc/71/10/89/1068711089.db2.gz FSVBBEFHEMLWMM-SCRDCRAPSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655773 1068711164 /nfs/dbraw/zinc/71/11/64/1068711164.db2.gz FZPJLHJBBCCKQN-FOGDFJRCSA-N 0 0 401.397 -0.604 20 5 HBBDRN COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655912 1068710528 /nfs/dbraw/zinc/71/05/28/1068710528.db2.gz FZPJLHJBBCCKQN-SCVCMEIPSA-N 0 0 401.397 -0.604 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000611655976 1068710555 /nfs/dbraw/zinc/71/05/55/1068710555.db2.gz KFJIAVZHSQGIQB-HIFRSBDPSA-N 0 0 413.452 -0.050 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000611655977 1068710666 /nfs/dbraw/zinc/71/06/66/1068710666.db2.gz KFJIAVZHSQGIQB-ZFWWWQNUSA-N 0 0 413.452 -0.050 20 5 HBBDRN CC(C)(CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655997 1068710644 /nfs/dbraw/zinc/71/06/44/1068710644.db2.gz LHUYMTUSVKQPIV-AAEUAGOBSA-N 0 0 401.441 -0.147 20 5 HBBDRN CC(C)(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611655998 1068710542 /nfs/dbraw/zinc/71/05/42/1068710542.db2.gz LHUYMTUSVKQPIV-YPMHNXCESA-N 0 0 401.441 -0.147 20 5 HBBDRN CC[C@@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656131 1068722422 /nfs/dbraw/zinc/72/24/22/1068722422.db2.gz MAUFKXCJQXKSEJ-BZPMIXESSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656132 1068710567 /nfs/dbraw/zinc/71/05/67/1068710567.db2.gz MAUFKXCJQXKSEJ-DYEKYZERSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656133 1068710491 /nfs/dbraw/zinc/71/04/91/1068710491.db2.gz MAUFKXCJQXKSEJ-OBJOEFQTSA-N 0 0 401.441 -0.004 20 5 HBBDRN CC[C@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656134 1068710449 /nfs/dbraw/zinc/71/04/49/1068710449.db2.gz MAUFKXCJQXKSEJ-SCRDCRAPSA-N 0 0 401.441 -0.004 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](CCO)C1 ZINC000611656290 1068710891 /nfs/dbraw/zinc/71/08/91/1068710891.db2.gz OMDULNHZTJWVKE-GUTXKFCHSA-N 0 0 413.452 -0.050 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](CCO)C1 ZINC000611656291 1068711135 /nfs/dbraw/zinc/71/11/35/1068711135.db2.gz OMDULNHZTJWVKE-IPYPFGDCSA-N 0 0 413.452 -0.050 20 5 HBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](CCO)C1 ZINC000611656292 1068711195 /nfs/dbraw/zinc/71/11/95/1068711195.db2.gz OMDULNHZTJWVKE-NFAWXSAZSA-N 0 0 413.452 -0.050 20 5 HBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](CCO)C1 ZINC000611656293 1068711018 /nfs/dbraw/zinc/71/10/18/1068711018.db2.gz OMDULNHZTJWVKE-YDHLFZDLSA-N 0 0 413.452 -0.050 20 5 HBBDRN CC(C)[C@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656400 1068710498 /nfs/dbraw/zinc/71/04/98/1068710498.db2.gz UFRBVFNWSWZICO-FPMFFAJLSA-N 0 0 401.441 -0.148 20 5 HBBDRN CC(C)[C@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656401 1068722437 /nfs/dbraw/zinc/72/24/37/1068722437.db2.gz UFRBVFNWSWZICO-KWCYVHTRSA-N 0 0 401.441 -0.148 20 5 HBBDRN CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656402 1068710634 /nfs/dbraw/zinc/71/06/34/1068710634.db2.gz UFRBVFNWSWZICO-UBHSHLNASA-N 0 0 401.441 -0.148 20 5 HBBDRN CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656403 1068710466 /nfs/dbraw/zinc/71/04/66/1068710466.db2.gz UFRBVFNWSWZICO-XBFCOCLRSA-N 0 0 401.441 -0.148 20 5 HBBDRN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656599 1068710042 /nfs/dbraw/zinc/71/00/42/1068710042.db2.gz ZZDUICJKDDJIBQ-JLNYLFASSA-N 0 0 411.436 -0.228 20 5 HBBDRN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611656600 1068710093 /nfs/dbraw/zinc/71/00/93/1068710093.db2.gz ZZDUICJKDDJIBQ-XFMPKHEZSA-N 0 0 411.436 -0.228 20 5 HBBDRN COC[C@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658499 1068711631 /nfs/dbraw/zinc/71/16/31/1068711631.db2.gz BJSTUJKJVKYIDE-BZPMIXESSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658500 1068711616 /nfs/dbraw/zinc/71/16/16/1068711616.db2.gz BJSTUJKJVKYIDE-DYEKYZERSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658501 1068711467 /nfs/dbraw/zinc/71/14/67/1068711467.db2.gz BJSTUJKJVKYIDE-OBJOEFQTSA-N 0 0 417.440 -0.768 20 5 HBBDRN COC[C@@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658502 1068711411 /nfs/dbraw/zinc/71/14/11/1068711411.db2.gz BJSTUJKJVKYIDE-SCRDCRAPSA-N 0 0 417.440 -0.768 20 5 HBBDRN Cn1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000611658530 1069311609 /nfs/dbraw/zinc/31/16/09/1069311609.db2.gz GNVOETCYOUJHCB-JSGCOSHPSA-N 0 0 409.424 -0.231 20 5 HBBDRN Cn1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000611658531 1068711552 /nfs/dbraw/zinc/71/15/52/1068711552.db2.gz GNVOETCYOUJHCB-OCCSQVGLSA-N 0 0 409.424 -0.231 20 5 HBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000611658697 1068711648 /nfs/dbraw/zinc/71/16/48/1068711648.db2.gz SBVVNEXZZHZOHJ-DHMWGJHJSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000611658698 1068711423 /nfs/dbraw/zinc/71/14/23/1068711423.db2.gz SBVVNEXZZHZOHJ-PAPYEOQZSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000611658699 1068711571 /nfs/dbraw/zinc/71/15/71/1068711571.db2.gz SBVVNEXZZHZOHJ-RJZRQDKASA-N 0 0 413.452 -0.052 20 5 HBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000611658700 1068711582 /nfs/dbraw/zinc/71/15/82/1068711582.db2.gz SBVVNEXZZHZOHJ-UXOAXIEHSA-N 0 0 413.452 -0.052 20 5 HBBDRN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658745 1068711592 /nfs/dbraw/zinc/71/15/92/1068711592.db2.gz WMNITXQHKPUHTJ-BZPMIXESSA-N 0 0 401.441 -0.148 20 5 HBBDRN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611658746 1068711682 /nfs/dbraw/zinc/71/16/82/1068711682.db2.gz WMNITXQHKPUHTJ-SCRDCRAPSA-N 0 0 401.441 -0.148 20 5 HBBDRN CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000611659539 1068711491 /nfs/dbraw/zinc/71/14/91/1068711491.db2.gz BHQXULMIVCHPIE-DRZSPHRISA-N 0 0 412.424 -0.934 20 5 HBBDRN CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000611659540 1068711961 /nfs/dbraw/zinc/71/19/61/1068711961.db2.gz BHQXULMIVCHPIE-RTXFEEFZSA-N 0 0 412.424 -0.934 20 5 HBBDRN CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000611659541 1068712148 /nfs/dbraw/zinc/71/21/48/1068712148.db2.gz BHQXULMIVCHPIE-UHTWSYAYSA-N 0 0 412.424 -0.934 20 5 HBBDRN CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000611659542 1068712304 /nfs/dbraw/zinc/71/23/04/1068712304.db2.gz BHQXULMIVCHPIE-WXHSDQCUSA-N 0 0 412.424 -0.934 20 5 HBBDRN O=C(N[C@H](CO)CC1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611660869 1068712050 /nfs/dbraw/zinc/71/20/50/1068712050.db2.gz QIFSJEMPTSQXMO-GUTXKFCHSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611660870 1068712069 /nfs/dbraw/zinc/71/20/69/1068712069.db2.gz QIFSJEMPTSQXMO-IPYPFGDCSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611660871 1068712246 /nfs/dbraw/zinc/71/22/46/1068712246.db2.gz QIFSJEMPTSQXMO-NFAWXSAZSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(N[C@H](CO)CC1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611660872 1068712192 /nfs/dbraw/zinc/71/21/92/1068712192.db2.gz QIFSJEMPTSQXMO-YDHLFZDLSA-N 0 0 413.452 -0.004 20 5 HBBDRN O=C(NCCc1cnccn1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611662594 1068722355 /nfs/dbraw/zinc/72/23/55/1068722355.db2.gz UXRNCASLUDANTH-HIFRSBDPSA-N 0 0 421.435 -0.132 20 5 HBBDRN O=C(NCCc1cnccn1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611662598 1068712033 /nfs/dbraw/zinc/71/20/33/1068712033.db2.gz UXRNCASLUDANTH-ZFWWWQNUSA-N 0 0 421.435 -0.132 20 5 HBBDRN O=C(NCCCOCCO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611668491 1068712675 /nfs/dbraw/zinc/71/26/75/1068712675.db2.gz MSKDSTVZHGOXJC-JSGCOSHPSA-N 0 0 417.440 -0.766 20 5 HBBDRN O=C(NCCCOCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611668494 1068712719 /nfs/dbraw/zinc/71/27/19/1068712719.db2.gz MSKDSTVZHGOXJC-OCCSQVGLSA-N 0 0 417.440 -0.766 20 5 HBBDRN C[C@H](O)[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611668849 1068713247 /nfs/dbraw/zinc/71/32/47/1068713247.db2.gz VORHJDBAOQVVBU-ABHRYQDASA-N 0 0 413.452 -0.052 20 5 HBBDRN C[C@H](O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611668850 1068713287 /nfs/dbraw/zinc/71/32/87/1068713287.db2.gz VORHJDBAOQVVBU-JLNYLFASSA-N 0 0 413.452 -0.052 20 5 HBBDRN C[C@H](O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611668851 1068713368 /nfs/dbraw/zinc/71/33/68/1068713368.db2.gz VORHJDBAOQVVBU-XFMPKHEZSA-N 0 0 413.452 -0.052 20 5 HBBDRN C[C@H](O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611668852 1068713457 /nfs/dbraw/zinc/71/34/57/1068713457.db2.gz VORHJDBAOQVVBU-XPCVCDNBSA-N 0 0 413.452 -0.052 20 5 HBBDRN COC[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000611668908 1068713349 /nfs/dbraw/zinc/71/33/49/1068713349.db2.gz YATPMGKOUIPIBL-BZPMIXESSA-N 0 0 417.440 -0.504 20 5 HBBDRN COC[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000611668912 1068713299 /nfs/dbraw/zinc/71/32/99/1068713299.db2.gz YATPMGKOUIPIBL-DYEKYZERSA-N 0 0 417.440 -0.504 20 5 HBBDRN COC[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000611668914 1068713441 /nfs/dbraw/zinc/71/34/41/1068713441.db2.gz YATPMGKOUIPIBL-OBJOEFQTSA-N 0 0 417.440 -0.504 20 5 HBBDRN COC[C@@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000611668915 1068713195 /nfs/dbraw/zinc/71/31/95/1068713195.db2.gz YATPMGKOUIPIBL-SCRDCRAPSA-N 0 0 417.440 -0.504 20 5 HBBDRN CS(=O)(=O)N1CCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000611746113 1068758538 /nfs/dbraw/zinc/75/85/38/1068758538.db2.gz FBFXHKZFNAAHSS-UHFFFAOYSA-N 0 0 407.474 -0.769 20 5 HBBDRN Cc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000611817724 1068853901 /nfs/dbraw/zinc/85/39/01/1068853901.db2.gz RTLNGKPSFPWKEK-UHFFFAOYSA-N 0 0 413.456 -0.416 20 5 HBBDRN CNC(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611820716 1068854973 /nfs/dbraw/zinc/85/49/73/1068854973.db2.gz AZHASABANUPHEZ-UHFFFAOYSA-N 0 0 413.456 -0.895 20 5 HBBDRN Cc1cc(C(=O)NCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000611821099 1068855587 /nfs/dbraw/zinc/85/55/87/1068855587.db2.gz IMPYUCOAEOMLPY-GFCCVEGCSA-N 0 0 413.456 -0.335 20 5 HBBDRN Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000611821100 1068855620 /nfs/dbraw/zinc/85/56/20/1068855620.db2.gz IMPYUCOAEOMLPY-LBPRGKRZSA-N 0 0 413.456 -0.335 20 5 HBBDRN CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611857423 1068860304 /nfs/dbraw/zinc/86/03/04/1068860304.db2.gz SRGGGTPDYMXKKW-KBPBESRZSA-N 0 0 415.424 -0.212 20 5 HBBDRN CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611857424 1068724882 /nfs/dbraw/zinc/72/48/82/1068724882.db2.gz SRGGGTPDYMXKKW-KGLIPLIRSA-N 0 0 415.424 -0.212 20 5 HBBDRN CCOC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611857425 1068860166 /nfs/dbraw/zinc/86/01/66/1068860166.db2.gz SRGGGTPDYMXKKW-UONOGXRCSA-N 0 0 415.424 -0.212 20 5 HBBDRN CCOC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611857426 1068860218 /nfs/dbraw/zinc/86/02/18/1068860218.db2.gz SRGGGTPDYMXKKW-ZIAGYGMSSA-N 0 0 415.424 -0.212 20 5 HBBDRN CCOC(=O)[C@H](CO)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000611863141 1068863838 /nfs/dbraw/zinc/86/38/38/1068863838.db2.gz UYAQRBVZYUAZOL-AWEZNQCLSA-N 0 0 408.411 -0.083 20 5 HBBDRN CCOC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000611863150 1068724817 /nfs/dbraw/zinc/72/48/17/1068724817.db2.gz UYAQRBVZYUAZOL-CQSZACIVSA-N 0 0 408.411 -0.083 20 5 HBBDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000611871779 1068864461 /nfs/dbraw/zinc/86/44/61/1068864461.db2.gz OMLLKZZMXXXDLB-UHFFFAOYSA-N 0 0 415.428 -0.508 20 5 HBBDRN Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000611941173 1068903678 /nfs/dbraw/zinc/90/36/78/1068903678.db2.gz CMMFJIYCAHIAGB-UHFFFAOYSA-N 0 0 409.428 -0.061 20 5 HBBDRN Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000611941384 1068903817 /nfs/dbraw/zinc/90/38/17/1068903817.db2.gz ZUJJYLPJUAXLNU-UHFFFAOYSA-N 0 0 409.428 -0.061 20 5 HBBDRN Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000611951269 1068726834 /nfs/dbraw/zinc/72/68/34/1068726834.db2.gz UCYVNQYOIDDLPN-UHFFFAOYSA-N 0 0 409.428 -0.061 20 5 HBBDRN C[C@H](C[C@H](C)O)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611984857 1068911906 /nfs/dbraw/zinc/91/19/06/1068911906.db2.gz DJWLOEXQLALHFK-CZXHOFHRSA-N 0 0 401.441 -0.006 20 5 HBBDRN C[C@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611984858 1068911762 /nfs/dbraw/zinc/91/17/62/1068911762.db2.gz DJWLOEXQLALHFK-FMSGJZPZSA-N 0 0 401.441 -0.006 20 5 HBBDRN C[C@H](O)C[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611984859 1068912405 /nfs/dbraw/zinc/91/24/05/1068912405.db2.gz DJWLOEXQLALHFK-MNXVOIDGSA-N 0 0 401.441 -0.006 20 5 HBBDRN 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C[C@@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280789 1069383467 /nfs/dbraw/zinc/38/34/67/1069383467.db2.gz HUOCEGPKLVLGQW-CYBMUJFWSA-N 0 0 400.457 -0.212 20 5 HBBDRN C[C@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280791 1069383331 /nfs/dbraw/zinc/38/33/31/1069383331.db2.gz HUOCEGPKLVLGQW-ZDUSSCGKSA-N 0 0 400.457 -0.212 20 5 HBBDRN COCC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001299862896 1070622065 /nfs/dbraw/zinc/62/20/65/1070622065.db2.gz AMQCJSAOKHPIPP-UHFFFAOYSA-N 0 0 402.429 -0.564 20 5 HBBDRN CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001625853385 1068287484 /nfs/dbraw/zinc/28/74/84/1068287484.db2.gz SQMXICWWTBVHML-UHFFFAOYSA-N 0 0 401.445 -0.406 20 5 HBBDRN CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC001625857863 1068289162 /nfs/dbraw/zinc/28/91/62/1068289162.db2.gz BOBXMWBXOHLETG-UHFFFAOYSA-N 0 0 412.472 -0.185 20 5 HBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CC(=O)N(C)C3=O)cc2[N+](=O)[O-])CC1 ZINC001626120185 1071883998 /nfs/dbraw/zinc/88/39/98/1071883998.db2.gz GFYCOUKXGJTJKA-CYBMUJFWSA-N 0 0 403.395 -0.250 20 5 HBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CC(=O)N(C)C3=O)cc2[N+](=O)[O-])CC1 ZINC001626120187 1071883945 /nfs/dbraw/zinc/88/39/45/1071883945.db2.gz GFYCOUKXGJTJKA-ZDUSSCGKSA-N 0 0 403.395 -0.250 20 5 HBBDRN CCN1CCN(C(=O)CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001648822597 1068340914 /nfs/dbraw/zinc/34/09/14/1068340914.db2.gz MXQYBDZTRWKZIF-UHFFFAOYSA-N 0 0 407.427 -0.387 20 5 HBBDRN CN(CC(=O)NCC(=O)N1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001648931424 1069259500 /nfs/dbraw/zinc/25/95/00/1069259500.db2.gz MWKDSUKDKJFEPT-UHFFFAOYSA-N 0 0 413.456 -0.895 20 5 HBBDRN CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001670727532 1068440160 /nfs/dbraw/zinc/44/01/60/1068440160.db2.gz AAOOZSURRKLEIL-CYBMUJFWSA-N 0 0 407.470 -0.283 20 5 HBBDRN CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001670727533 1068440312 /nfs/dbraw/zinc/44/03/12/1068440312.db2.gz AAOOZSURRKLEIL-ZDUSSCGKSA-N 0 0 407.470 -0.283 20 5 HBBDRN COc1ccc(S(=O)(=O)N2CCCN(C(=O)CNC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001670811272 1070668724 /nfs/dbraw/zinc/66/87/24/1070668724.db2.gz ZOXZLALDKFRFQO-UHFFFAOYSA-N 0 0 414.440 -0.038 20 5 HBBDRN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001670945940 1069115079 /nfs/dbraw/zinc/11/50/79/1069115079.db2.gz KVHLDZMDBVPQHR-UHFFFAOYSA-N 0 0 407.474 -0.117 20 5 HBBDRN O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001687346099 1068503713 /nfs/dbraw/zinc/50/37/13/1068503713.db2.gz BSHWXXDTMNMUQB-KRWDZBQOSA-N 0 0 408.415 -0.234 20 5 HBBDRN O=C(NC[C@]12COCCN1C(=O)COC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001687346100 1068503750 /nfs/dbraw/zinc/50/37/50/1068503750.db2.gz BSHWXXDTMNMUQB-QGZVFWFLSA-N 0 0 408.415 -0.234 20 5 HBBDRN